smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 32912536 CBUXPDCFPHPIDK-UHFFFAOYSA-N 443.935 1.666 50 40 IDGB CCOc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 89991163 BUJOGXJYRXXFIH-UHFFFAOYSA-N 447.513 1.710 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408531335 GSVWFMPOXNRBRE-GGPGUOJZSA-N 425.376 1.399 50 40 IDGB COc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 408646501 POFYVFDRHUYFEX-ZDUSSCGKSA-N 445.859 1.706 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2)c1CSc1ccccc1 1901202 PHOHIBLLGWFSJQ-UFFVCSGVSA-N 436.457 1.994 50 40 IDGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409262068 CLMQJOGVSRJQCJ-BUVRLJJBSA-N 438.484 1.575 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 1411863 SYDBRAKQXXJRDH-ZFWWWQNUSA-N 431.445 1.899 50 40 IDGB COc1ccc(C)cc1-n1nnnc1SCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 3491531 NPINBGSAPFBFCS-UHFFFAOYSA-N 443.445 1.441 50 40 IDGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 9883659 GZEDFYJDVKQCMS-UHFFFAOYSA-N 429.502 1.690 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 14057404 OQOPDMNFJJYGAX-UHFFFAOYSA-N 431.449 1.541 50 40 IDGB CCCCCn1nc(C(=O)NNC(=O)CCn2c(C)csc2=O)c2ccccc2c1=O 20929512 VDYZMBJYLROSOJ-UHFFFAOYSA-N 443.529 1.970 50 40 IDGB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cc(C)oc1C 21330892 OTDZMDUUFMRQHH-MRXNPFEDSA-N 425.532 1.758 50 40 IDGB Nc1nnn(CC(=O)N/N=C\c2ccccc2OCc2cccc(Br)c2)n1 31870167 LYVCQDZWJQGZPR-UKWGHVSLSA-N 430.266 1.747 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 409176203 YROFLZPVQDPKME-FSJBWODESA-N 432.864 1.570 50 40 IDGB C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 16321293 PJVGRLBWGQXMCN-HYARGMPZSA-N 444.513 1.981 50 40 IDGB NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 33028738 IHQPMLUQXBPQKC-MRXNPFEDSA-N 429.502 1.565 50 40 IDGB O=C(CBr)COc1ccccc1C(=O)OCC(=O)OCCCCO[N+](=O)[O-] 263583495 BIYNHNHRRQFXNG-UHFFFAOYSA-N 448.222 1.718 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c(OC)c1 408786920 XPZOXQUOTCLALT-RGVLZGJSSA-N 435.458 1.318 50 40 IDGB NC(=O)COc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 12856071 WZFRAVUHWVYUPV-UHFFFAOYSA-N 428.445 1.817 50 40 IDGB CCOc1c(Br)cc(C(=O)NNC(=O)CNC(=O)[C@H]2C[C@H]2C)cc1OC 23187338 AQNHAKNELMHUBK-KOLCDFICSA-N 428.283 1.390 50 40 IDGB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 408646370 ORJOGGDFDDMICT-UHFFFAOYSA-N 440.456 1.758 50 40 IDGB CC(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408676130 ACHOQJQOEAJGGK-SPGVSREJSA-N 437.242 1.909 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccccc1O 95346168 QPDAZSCVOUSMJN-YDZHTSKRSA-N 447.459 1.729 50 40 IDGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 2663258 ZNLAUYZOWPHRKK-UHFFFAOYSA-N 439.877 1.208 50 40 IDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)NCCCl)c2)cc1 3205087 SOOKCYBMDGMVHZ-UHFFFAOYSA-N 426.882 1.679 50 40 IDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12909382 ISQMVTUZDZXYKB-KBPBESRZSA-N 443.431 1.565 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)c1 20210278 SQDLURCEBXUWJP-CIAFOILYSA-N 449.485 1.163 50 40 IDGB CCCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccc(C)cc2)n1 28288763 VQNIVEWKKNUITL-UHFFFAOYSA-N 441.307 1.806 50 40 IDGB O=C(N[C@@H](C(=O)N/N=C\c1cccnc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 33657549 MLRCHYDFAHBEAT-PUDRWSQFSA-N 426.436 1.940 50 40 IDGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCC(=O)N1CCOCC1 409198158 YQZOVXIJZBILRX-KWXFCVSUSA-N 436.468 1.690 50 40 IDGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)ccc12 2636805 OZQGGDIRRGSBDJ-UHFFFAOYSA-N 434.408 1.188 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)c(OC)c1 9308396 MIXUSGWWLKVRAC-AWQFTUOYSA-N 440.445 1.742 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1 32912149 FQVKATWQWNPKDL-QGZVFWFLSA-N 434.449 1.030 50 40 IDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 408531474 GWVIZDSCKCUWRH-IEEVUCOHSA-N 429.776 1.863 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)c1 408782920 IRPAHEAPTOMDKZ-RGVLZGJSSA-N 437.474 1.334 50 40 IDGB COc1cccc(/C=N\NC(=O)CN2CCOCC2)c1OCc1ccc([N+](=O)[O-])cc1 409089170 HOHSIMGDGZWCGM-XKZIYDEJSA-N 428.445 1.965 50 40 IDGB N#CC(C(=O)COC(=O)CNS(=O)(=O)c1ccc(F)cc1)=C1Nc2ccccc2N1 9585117 GSSQRPRJLPIQEE-UHFFFAOYSA-N 430.417 1.489 50 40 IDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1 20210262 LFWNMEBQCLPZOY-HYARGMPZSA-N 432.502 1.960 50 40 IDGB O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)N1CCCCC1 408667070 AZDROQIQRMHQQS-WYUUTHIRSA-N 436.144 1.921 50 40 IDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccc(F)cc1 409267862 PJJDOABPMXEMGD-SAMQYFKISA-N 442.447 1.589 50 40 IDGB COc1ccc([C@H](CNC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)N2CCCC2)cc1 575425044 XKJDBOKIHYANPQ-BBWFWOEESA-N 432.011 1.701 50 40 IDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12917918 GQAVAZYCGJUGCC-UHFFFAOYSA-N 430.280 1.588 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)OC(C#N)=C[C@]12C(=O)OCC 100360412 BOAMZUZHABXACO-WHLMCFGLSA-N 446.456 1.727 50 40 IDGB O=C(CSc1cccc2cccnc12)NNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 10414003 CTTSAABAUYVFJK-UHFFFAOYSA-N 435.465 1.178 50 40 IDGB O=C(NN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccncc1 100843022 YAIDQIHHDYYVBM-SDONNHMOSA-N 443.095 1.504 50 40 IDGB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 33029197 ABPNIPYAIPHFAM-AYJWMTRPSA-N 426.498 1.837 50 40 IDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnccn3)c2)cc1 11362048 FYNDLYSKLGODFB-UHFFFAOYSA-N 427.442 1.361 50 40 IDGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 33671650 AVSFJSSDCWMMJO-UHFFFAOYSA-N 442.497 1.193 50 40 IDGB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 11659789 VZZDSVZLYZZXJT-UHFFFAOYSA-N 447.557 1.921 50 40 IDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccccc1O 25782233 RRLPNMIELRQWDG-CJVAQADSSA-N 439.480 1.467 50 40 IDGB COc1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 102732490 NCYSNJDUCSLGRN-DWKHYPNZSA-N 431.470 1.396 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(OC)c1OC 108123432 CXIANJDLQMAPKU-HMAPJEAMSA-N 449.529 1.667 50 40 IDGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(C)(=O)=O 408922009 NWKPRRXCZCDPBH-YBFXNURJSA-N 436.446 1.528 50 40 IDGB COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)cc(OC)c1OC 5760297 JTTWEYAGOZYCCI-INIZCTEOSA-N 427.457 1.665 50 40 IDGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OC 59246966 NTGDNDJZEARINF-VCHYOVAHSA-N 447.273 1.481 50 40 IDGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1889237633 DQRAMWYAPKXMFZ-WOJBJXKFSA-N 434.496 1.231 50 40 IDGB CN(C(=S)SSC(=S)N(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 6878767 MUETWXQELDDWNM-UWVGGRQHSA-N 448.704 1.175 50 40 IDGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)/C(C#N)=C(\C)N 9562838 HFVPHSNTIONLTI-SAPNQHFASA-N 435.502 1.742 50 40 IDGB CN(C(=S)SSC(=S)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 13476956 MUETWXQELDDWNM-AOOOYVTPSA-N 448.704 1.175 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)cc1 16508589 HPIIJMWTKGMKRF-QGZVFWFLSA-N 437.543 1.556 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58873057 NNAFLSDNJFKVTC-CFRMEGHHSA-N 446.891 1.960 50 40 IDGB CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C 408539129 TZAHOFPXMODIGK-QGZVFWFLSA-N 438.370 1.987 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409168553 MMEUOPKWOYMAOF-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OCC(=O)N1CCOCC1 818615 RROCPVGUOATLGN-HXUWFJFHSA-N 427.457 1.569 50 40 IDGB COCCNC(=S)NNC(=O)COc1ccc(Br)cc1Br 59180642 MCTRLMKHZUMHTJ-UHFFFAOYSA-N 441.145 1.732 50 40 IDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCOC)cc2)cc1 409165532 ZECNBLZGQLWPLV-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1 2305717 OYDQOOOLDUEQFG-UVTDQMKNSA-N 429.230 1.850 50 40 IDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 59459782 CGTHRMSDPBNOLD-YDZHTSKRSA-N 444.444 1.820 50 40 IDGB Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 13060888 AWJSFAUYFOHTJK-UHFFFAOYSA-N 445.419 1.676 50 40 IDGB COc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 30750503 XFTVZRVPVJPEPN-HMAPJEAMSA-N 446.529 1.166 50 40 IDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 32116935 MRDBMEKWBDBKDL-ZMOGYAJESA-N 445.472 1.539 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 58873055 MFMLXJZRQUUMBK-OYKKKHCWSA-N 442.472 1.316 50 40 IDGB O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NNC(=O)c1ccc(F)cc1 22913385 VETCOEUHPKGEJM-UHFFFAOYSA-N 447.898 1.496 50 40 IDGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(I)o1 59104942 FOMXIVXHLHNDTA-MKMNVTDBSA-N 442.051 1.429 50 40 IDGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)c(OC)c1 408906056 AHNRTMXOYJWRIQ-ZRWQFTNJSA-N 442.472 1.367 50 40 IDGB C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1ccc(Br)cc1)CS2 12883570 YAFOHUFMSZFMEQ-BLLLJJGKSA-N 428.308 1.429 50 40 IDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc21 24811775 FTSXXWOFDSMFDW-UHFFFAOYSA-N 440.504 1.723 50 40 IDGB O=C(COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1Cl 408666263 XUIMURYSIXSMAC-UHFFFAOYSA-N 448.819 1.971 50 40 IDGB O=C(COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1 408670344 ZMKDUEKSCAVNSL-UHFFFAOYSA-N 428.401 1.708 50 40 IDGB O=C(COc1ccc(F)cc1Br)NNC(=O)Cn1nnc(-c2ccccc2)n1 13137878 HTYNUKHHAOJNRQ-UHFFFAOYSA-N 449.240 1.468 50 40 IDGB O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1)c1ccco1 25242551 GCLLIHDNUKSBSL-VIFPVBQESA-N 448.320 1.718 50 40 IDGB O=C(NNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 102971855 GPTGDDCPPYDQDC-CPUCHLNUSA-N 438.575 1.005 50 40 IDGB O=C(COc1cccc2cccnc12)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408740516 LGPYDFIIGTWIME-SOAGAIGUSA-N 447.476 1.780 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9508921 XIIOOHBAUGHYER-UHFFFAOYSA-N 444.377 1.556 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)NNC(=O)c1ccc(Cl)cc1 57527421 RCTPLUJGOMNVPB-UHFFFAOYSA-N 429.816 1.611 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3O)CC2)cc1C 17526247 XRTODMMDDOEOOI-UHFFFAOYSA-N 431.514 1.871 50 40 IDGB Cc1noc(CSc2ccccc2C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)n1 25351600 AXNYZHVSTXAXQN-UHFFFAOYSA-N 436.453 1.982 50 40 IDGB COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408657256 OQFXVBSQRBULHJ-AWEZNQCLSA-N 445.859 1.706 50 40 IDGB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NNC(=O)c1ccc(F)cc1 9661770 UTOFDIHJNIPMJJ-UHFFFAOYSA-N 446.391 1.189 50 40 IDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 14244395 FGVSXISFYUSWIA-CQSZACIVSA-N 445.472 1.447 50 40 IDGB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 36488171 CAFGSRDUFBZJJB-WBVHZDCISA-N 443.591 1.356 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59960464 MXGKDDXOVMBBNW-HAWKZNDISA-N 440.500 1.546 50 40 IDGB COc1cc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1 103516735 BXUHYWXUPHOWJX-XKYMITNMSA-N 431.470 1.396 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NC1CCCCC1 408709314 ZKFJOKLWQFUAMW-UFFVCSGVSA-N 439.310 1.473 50 40 IDGB O=C(NNC(=O)c1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3323766 VDBHJKNCWOPGLF-UHFFFAOYSA-N 441.868 1.575 50 40 IDGB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)c1ccccc1-n1cccc1 9339045 MEZNDDSGPCGUKH-XMMPIXPASA-N 443.463 1.632 50 40 IDGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 9633297 GPTGDDCPPYDQDC-JJRVBVJISA-N 438.575 1.005 50 40 IDGB Cc1nc(CC(=O)NNC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cs1 32795046 CGVVONCMFUAEOI-UHFFFAOYSA-N 429.424 1.773 50 40 IDGB CC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 16553390 ABORPAYPSWXNAF-UHFFFAOYSA-N 425.445 1.381 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)Nc3ccccc3)CC2)cc1 36006895 CPWAIAKMCHTWIY-UHFFFAOYSA-N 447.586 1.319 50 40 IDGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC)c2)cc1 409157076 PUYZEVSHKJLEAU-MFKUBSTISA-N 440.500 1.869 50 40 IDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)c2ccccc21 1248549 CQQLBVGXQNDBTR-QHCPKHFHSA-N 437.452 1.951 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2oc(=O)ccc2c1 8993010 YDCAABFYWZEKCY-DISPHTKASA-N 439.449 1.485 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 12362425 ZCXRRZNYPXJLCW-SRZZPIQSSA-N 433.388 1.962 50 40 IDGB CCOc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 32654862 NCDPGUDMAGMYMV-INQNZLQJSA-N 430.482 1.873 50 40 IDGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 409254503 ZJQFXGKKWFKWEZ-HUHXJTTESA-N 438.484 1.758 50 40 IDGB O=C(Cc1ccc(Br)cc1)NNC(=O)c1csc(N2CCOCC2)n1 12803708 UIBJBLPPSUHAAX-UHFFFAOYSA-N 425.308 1.746 50 40 IDGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4I)no1 102645694 KOOLQKCJSPDSIO-ZNOWBECESA-N 446.197 1.076 50 40 IDGB O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2616548 QMHNRPBXXQOPOU-UHFFFAOYSA-N 440.481 1.331 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 9129395 SRSREFZDHQCDRC-UHFFFAOYSA-N 448.526 1.121 50 40 IDGB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NNS(=O)(=O)c1ccccc1 11565627 LCRWDJLAOVMGCW-GDNBJRDFSA-N 435.458 1.872 50 40 IDGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 20922351 FGDLOIAKHLNPKV-RLGUWMIQSA-N 429.473 1.135 50 40 IDGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)c2ccc(F)cc2)c1 32975866 IFGSQALHRLUDQQ-UHFFFAOYSA-N 434.493 1.751 50 40 IDGB COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 70461118 HPNUOBLRLRSJMN-MRXNPFEDSA-N 427.457 1.896 50 40 IDGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 100049008 WAZRUXVCTREKGM-REZTVBANSA-N 435.305 1.655 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 12863458 ZVBLJCUQROQIBZ-QFIPXVFZSA-N 440.456 1.240 50 40 IDGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(COc2ccccc2)cc1 14068814 RZDHVFWJPCFHEO-UHFFFAOYSA-N 436.468 1.891 50 40 IDGB Cc1cccc(NC(=O)[C@H](C)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 14190726 LTUISBGYFIWFME-INIZCTEOSA-N 446.529 1.278 50 40 IDGB CCOC(=O)[C@H]1NN=C(C(=O)[C@@](C)(O)CBr)[C@@H]1c1ccc([N+](=O)[O-])cc1 17251854 QMMFHUORWJAFJZ-RBOXIYTFSA-N 428.239 1.284 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 26962505 LYCBTSJDMJYGBE-QGZVFWFLSA-N 447.513 1.878 50 40 IDGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C(C)C)c1 27243147 WVCZTWHKZQZITO-FQEVSTJZSA-N 431.464 1.987 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)NCCc1ccccc1 58880641 PIUBUNXXNFYHJI-YZSQISJMSA-N 436.512 1.887 50 40 IDGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 408662877 NZNUXFZCUJFCMS-LUVWLHFXSA-N 447.875 1.065 50 40 IDGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)CN3CCOCC3)cc2)cc1 409216690 NZYHPUZZNJVZCI-OYKKKHCWSA-N 438.484 1.573 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20208233 FLCJRFZDWQXHAO-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)O)c(OC)c1 408906502 CBQBWASEMKADTG-WQGFDPGOSA-N 443.456 1.966 50 40 IDGB COCCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 2618545 CTBLQYYHDGACIE-UHFFFAOYSA-N 430.461 1.735 50 40 IDGB O=C(NNS(=O)(=O)c1cccc(Br)c1)c1csc(N2CCOCC2)n1 12994586 HFTWJWAHTALRRM-UHFFFAOYSA-N 447.336 1.366 50 40 IDGB COC(=O)c1cc(C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 15913273 VGANKNWWOLNHTB-UHFFFAOYSA-N 432.414 1.419 50 40 IDGB NNC(=O)C1=NO[C@@H]2COC3(CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)OC[C@@H]12 20218873 ZEIUGERMORURLX-ZYHUDNBSSA-N 449.817 1.458 50 40 IDGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1O 408735591 TYQQQRDKDMAIHH-RQZCQDPDSA-N 433.246 1.178 50 40 IDGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409027581 MCFJLCRIXGWMRK-YBFXNURJSA-N 434.430 1.436 50 40 IDGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 19943055 WIJLAZFVZWVGCC-XMMPIXPASA-N 447.495 1.204 50 40 IDGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(Br)c1OCC(=O)O 408803343 NUGUTIUBJSGASQ-WUXMJOGZSA-N 427.251 1.981 50 40 IDGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)OC 409253719 VBCZVIUAXUTJLS-WMZJFQQLSA-N 426.223 1.501 50 40 IDGB CS(=O)(=O)[C@@H]1CC(=O)N(OC(=O)CCCSSc2ccc([N+](=O)[O-])cn2)C1=O 514278362 RIXGLVALRPRFJK-SNVBAGLBSA-N 449.488 1.141 50 40 IDGB COc1cc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)ccc1OCC#N 2177704 FBHGDQDEVRWOCT-BHGWPJFGSA-N 430.848 1.896 50 40 IDGB O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1csc(N2CCOCC2)n1 12979420 OTMIZCUFPIJWOD-UHFFFAOYSA-N 436.437 1.622 50 40 IDGB COC(=O)c1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 9423808 YYZPSKNYSWRSER-HAKPAVFJSA-N 429.454 1.165 50 40 IDGB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NNC(=O)c1ccc(Cl)cc1 21847681 JMRQOFFRCXVVDG-UHFFFAOYSA-N 430.892 1.648 50 40 IDGB CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 33028657 KSGMLQHWUFOBFH-IBGZPJMESA-N 427.457 1.583 50 40 IDGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1Cl 408666670 RMFYHKGUSAZNEU-GNTOHDJUSA-N 447.875 1.065 50 40 IDGB COc1cc(C(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1OC 12783002 HBKXCYBAMVCQSA-UHFFFAOYSA-N 442.424 1.967 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C2/CCCc3ccccc32)c1CN1CCCCC1 100056350 OUVCGQJWGOHMPS-KQWNVCNZSA-N 435.492 1.689 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCn2c(=O)oc3ccccc32)c1 15895950 JDLSHBMIWJRGEU-UHFFFAOYSA-N 446.485 1.086 50 40 IDGB COc1cccc(/C(C)=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 36006842 NHOAFQYZLHRXEC-PTGBLXJZSA-N 444.557 1.850 50 40 IDGB CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NNC(=O)c3ccc(OCC)cc3)cnc21 40143870 VOKOCHDJDSSEKY-UHFFFAOYSA-N 425.445 1.358 50 40 IDGB COc1cc(Br)cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1O 57608204 LXDNPTLCZBLFMU-DJKKODMXSA-N 431.250 1.967 50 40 IDGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(C)=O)cc3)C2=O)c1 408534903 MWLPRFMBDMJMRO-CBVHTYNASA-N 437.412 1.268 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408610900 OWGMXCOPHFFVEL-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB O=C(NNC(=O)c1cccnc1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 24749581 BWKPWAUAXHCNGM-UHFFFAOYSA-N 436.449 1.501 50 40 IDGB CC(=O)N1C(=O)[C@]2(c3ccccc31)c1cccc3c1C(=C1C(=O)OC(=O)[C@H]12)C(=O)N3C(C)=O 103999309 UUAZDPSHVKNFFN-YADARESESA-N 442.383 1.226 50 40 IDGB CCOc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409328368 SYNPOVGXDUFDFO-ZBJSNUHESA-N 430.486 1.348 50 40 IDGB COc1ccc(C)c(N2C(=O)C[C@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 2293507 XLQAOFWXTKRZNB-HNNXBMFYSA-N 443.456 1.596 50 40 IDGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 1247513 GGHORZCINPCAIN-GOSISDBHSA-N 448.229 1.353 50 40 IDGB COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 13136857 FSODBBVDJSBKIE-HUUCEWRRSA-N 447.513 1.568 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C(C)C)cc1 18408734 XCOZONDTKPMMOP-IBGZPJMESA-N 447.513 1.302 50 40 IDGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 26634531 WOUWNECVDGXVJL-ZDUSSCGKSA-N 434.290 1.723 50 40 IDGB COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 408656378 NMRJXOHXZIWSCZ-CYBMUJFWSA-N 445.859 1.706 50 40 IDGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1cccc(N/C=C(\C#N)C(=O)NC(=O)OCC)c1 17118134 NVZBVAWJXGTLCY-HEEUSZRZSA-N 440.416 1.871 50 40 IDGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 408993763 FOODGJAGHKPBJJ-UWVJOHFNSA-N 448.701 1.437 50 40 IDGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)c1 409167746 JNSOLTLDSBLUFZ-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 3770080 TZPICPXDSQKSSS-GOEBONIOSA-N 443.481 1.768 50 40 IDGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(I)ccc1O 30791476 MLMITVNURPPKRE-LVQUCBIMSA-N 449.248 1.977 50 40 IDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)CC2=O)cc1 12808613 GHZGUWPLPZQUES-IFXJQAMLSA-N 425.441 1.426 50 40 IDGB CCCCn1c(CCC(=O)NNC(C)=O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 23198654 GSZOCMIIIIVFOK-UHFFFAOYSA-N 435.550 1.721 50 40 IDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)c1 409165049 RQVBLKPALGEXLK-OEAKJJBVSA-N 440.456 1.022 50 40 IDGB CN/N=C(/CC(=O)c1sc(NNC(C)=O)nc1C)C(=O)Nc1ccc(OC)cc1OC 8653536 UZJXVBWYIUEEEI-OYKKKHCWSA-N 448.505 1.719 50 40 IDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1 10291940 GXGHQPRYPFNVIS-UHFFFAOYSA-N 426.502 1.608 50 40 IDGB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 13074505 NJCCXQAESZEALM-UHFFFAOYSA-N 426.385 1.340 50 40 IDGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409264458 KJDKAQNZVAFSJM-KTCKORJGSA-N 438.484 1.758 50 40 IDGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 15756479 WYPWLTCAJQMOPJ-AWEZNQCLSA-N 440.481 1.252 50 40 IDGB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 16044119 SFYJMWXZLYSKFU-UHFFFAOYSA-N 440.456 1.945 50 40 IDGB COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)c(OC)c1 59434050 UWHYUOLZELQVJN-HZHRSRAPSA-N 426.473 1.511 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2c(c1)OCCO2 103517871 QICBPOKSEJNKHT-DWKHYPNZSA-N 429.454 1.150 50 40 IDGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC)cccc2OC)cc1 408611665 RMKZUQULUWQNIE-FSJBWODESA-N 428.445 1.308 50 40 IDGB COc1cc(C(=O)NC(=S)NNC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 2250094 XQVVAGGIECMAFC-UHFFFAOYSA-N 433.442 1.390 50 40 IDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 409145319 OGCBVJKRKSDEKW-RGVLZGJSSA-N 437.474 1.150 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1 2628722 XCHGKLRSIWCIRY-IBGZPJMESA-N 429.473 1.928 50 40 IDGB N#CC(C(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21)=C1Nc2ccccc2N1 3452439 LMIPVBUFCPRSQO-UHFFFAOYSA-N 437.437 1.110 50 40 IDGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 3672478 AZPJJRMRBOCAFY-RVDMUPIBSA-N 428.470 1.489 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1OC 20211421 NARCDGOVQZXEBM-CIAFOILYSA-N 449.485 1.391 50 40 IDGB COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 100097117 QBJUJMJBODXNSO-OAHLLOKOSA-N 429.429 1.288 50 40 IDGB CCOC(=O)C1=c2s/c(=C\c3ccc(C)o3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)o1 2208046 DLTDSDFZIFZDTG-STKCSNAVSA-N 437.477 1.704 50 40 IDGB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NNC(=O)c1ccccc1 2655425 PVXONEJIGPOHIP-UHFFFAOYSA-N 445.497 1.479 50 40 IDGB N#CC1=C(S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1ccco1 5536905 UNJRKQHMCCKMSG-CMNQPQAESA-N 442.493 1.185 50 40 IDGB COc1cc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1 8993135 BXUHYWXUPHOWJX-FNHQQPGVSA-N 431.470 1.396 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1 26690329 ONYZWYGAAMPXPP-SFHVURJKSA-N 433.486 1.488 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 409161143 YUJLASXZLCKWDA-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N)C1CCCCC1 2443460 LGCAYVSKIHTJOU-FOKLQQMPSA-N 441.471 1.900 50 40 IDGB COC(=O)C[C@H]1SC2=C(C(=O)N(C)C)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770099 UXHRPHRFENCNFZ-ZBFHGGJFSA-N 442.497 1.293 50 40 IDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c1C#N 408734712 CFDWMNCQUBJJMD-LSFURLLWSA-N 443.416 1.863 50 40 IDGB COc1cc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O 3112024 WSUZMUKKJGCTBK-VGENTYGXSA-N 446.485 1.449 50 40 IDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 16186776 RPVPTLHNYMKKNF-SRZZPIQSSA-N 439.465 1.622 50 40 IDGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccs1 16187210 YNBJXYHLMRNKLU-LBPRGKRZSA-N 440.572 1.837 50 40 IDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 16691409 LHJXLVSESKRRRT-FYJGNVAPSA-N 435.502 1.873 50 40 IDGB O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1NS(=O)(=O)c1cccs1 29564098 ZLFMKXAPVXOUNX-GFCCVEGCSA-N 448.526 1.321 50 40 IDGB Cn1c(=O)c2c(nc(NNC(=O)c3ccccc3O)n2C/C=C/c2ccccc2)n(C)c1=O 57830561 YQZFJTGKUSDYAP-DHZHZOJOSA-N 446.467 1.610 50 40 IDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668250 VFULVCGQEWCTKF-BHEBFOIGSA-N 441.484 1.047 50 40 IDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 1959524 RMLOJVZIZFAOOU-UFFVCSGVSA-N 433.388 1.880 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1cccc(C)c1 15019892 OAJCMQAAEBCZRS-ZVHZXABRSA-N 440.500 1.803 50 40 IDGB CSc1ncccc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12757980 LXDVZKBKIZXGRU-HNNXBMFYSA-N 448.570 1.974 50 40 IDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c(C(=O)O)c1OC 2271521 OVZGAQKRMGRPLL-AUEPDCJTSA-N 443.412 1.053 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 20209976 MXAAIMVGOWVAGL-CIAFOILYSA-N 449.485 1.163 50 40 IDGB COC(=O)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 33664042 SDZVHORHFAUMNB-MTJSOVHGSA-N 433.486 1.561 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2n[nH]c(Cc3ccccc3)n2)c1 408636593 AVIIPRMPRJTFIM-UHFFFAOYSA-N 427.486 1.966 50 40 IDGB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)s1 408682480 GOMDCCFJOWUJRA-UHFFFAOYSA-N 439.881 1.613 50 40 IDGB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccccc1O 17576199 KDRWZVFXWWPQDY-VIFPVBQESA-N 432.285 1.827 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 409161343 TWPOEIMPSSYNNE-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Cl)ccc1O 2242804 ZNGXXNNUGOPHAW-DNTJNYDQSA-N 433.860 1.197 50 40 IDGB COCCn1c(SCC(=O)NNC(=O)Cc2ccccc2)nc2ccccc2c1=O 6905304 RSPJEHSNSAUHJB-UHFFFAOYSA-N 426.498 1.525 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1C[C@@H]1CCCO1 16410486 FULMXZPNYQAQHF-NSHDSACASA-N 426.886 1.067 50 40 IDGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408806969 CKRWIMRPMVEKJP-QRVIBDJDSA-N 427.461 1.161 50 40 IDGB O=C(COc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 13777540 DQFGJDYFAGUADS-UHFFFAOYSA-N 431.246 1.417 50 40 IDGB N#C/C(C(N)=O)=C1\S[C@@H](Cc2cccc(-n3cnnn3)c2)C(=O)N1c1ccc(F)cc1 96306197 BWFZOVBFTNNZCB-BJMRFWQKSA-N 435.444 1.713 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409164221 FDLHHVUGONRTSC-ZMOGYAJESA-N 442.472 1.234 50 40 IDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 1827741 SZZHNNRXHJHYJL-GOSISDBHSA-N 434.246 1.827 50 40 IDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)Cc2nc3ccccc3n2C)c1 9128367 JUHKUGLMBFFMBL-UHFFFAOYSA-N 446.558 1.384 50 40 IDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCO3)c1 100767455 WUUICXQBJLRQKM-WYMPLXKRSA-N 442.428 1.892 50 40 IDGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/NC(=O)C[C@H](N)C(=O)O 4823968 XVOGZNZTINJLKO-SQWLXVSWSA-N 435.308 1.240 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccccc1O 9242592 UTJQYMFVKGZBNC-LSHDLFTRSA-N 448.399 1.488 50 40 IDGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)NC(N)=O 409245366 RRABFCODDWBSTC-XFSBKJJWSA-N 447.039 1.777 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(F)cc1 409265636 NCWSKIHSAUJZHC-FOKLQQMPSA-N 428.420 1.581 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21 694796 WFVCDBZUOBSAJU-PGMHBOJBSA-N 431.246 1.888 50 40 IDGB COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 2336438 WZOWMSHSSKOAFP-CQSZACIVSA-N 444.400 1.187 50 40 IDGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2)cc1 58873799 CCFYUAHTSZYYTG-HMHIXTCJSA-N 438.484 1.758 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)Nc1ccccc1 58873956 KFPPTPZWPZXFLY-CVKSISIWSA-N 431.452 1.866 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c(OC)c1 408871727 ZIBKOLCTKVAUDA-LPYMAVHISA-N 446.485 1.522 50 40 IDGB Nc1nnn(CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)n1 2320043 AGRCENOVLORUBZ-AWQFTUOYSA-N 430.266 1.747 50 40 IDGB COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccc(F)cc1 6143446 FLDKOCMWHQFYGG-FOKLQQMPSA-N 441.419 1.268 50 40 IDGB Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 9508395 YSWNVOPGDDPQPT-UHFFFAOYSA-N 447.455 1.850 50 40 IDGB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1 17102007 KYFGIDJEYSEVCL-PDGQHHTCSA-N 438.400 1.464 50 40 IDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 14244394 FGVSXISFYUSWIA-AWEZNQCLSA-N 445.472 1.447 50 40 IDGB Cc1cc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 15033126 QTCLNDHSOIFQQP-UHFFFAOYSA-N 441.492 1.400 50 40 IDGB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NC(=S)NNC(=O)c1ccccc1 408526825 CMBMIFDLQRTKIH-DTQAZKPQSA-N 437.481 1.001 50 40 IDGB CC(=O)Nc1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 9423535 LYCCFMLPQJEQMC-LTKMBJGESA-N 428.470 1.337 50 40 IDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 12137552 MPQHHMMHGCNHPQ-AWEZNQCLSA-N 447.513 1.599 50 40 IDGB CS(=O)(=O)N1C[C@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc21 12953029 GJISRTQUNKVTQZ-LEKRSAHOSA-N 438.849 1.926 50 40 IDGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2 13804177 BZTQOLDUEGDYTQ-IFRROFPPSA-N 438.429 1.762 50 40 IDGB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=S)NC[C@H]2CCCO2)C(C)C)c1 26800907 AWLWUORIDQACFW-RHSMWYFYSA-N 438.550 1.133 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 30742910 SMEXLVDOPZHXGJ-STZFKDTASA-N 445.501 1.360 50 40 IDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1 408872975 QCPSDZGPHRXBOW-QQHUYRGFSA-N 430.486 1.902 50 40 IDGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccnc3)nnn2-c2nonc2N)cc1 9361229 MTEMYFUCWGOWNC-FSJBWODESA-N 433.432 1.847 50 40 IDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)COc1ccccc1F 13133881 IPHITACJCGXUTE-UHFFFAOYSA-N 438.253 1.935 50 40 IDGB Cc1nn(C)cc1/C=N/NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 16946160 GLHOWGOBSGRMNU-VWXZLZIGSA-N 443.467 1.586 50 40 IDGB O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1Cl 58438657 WPLGQVICXFQINJ-UHFFFAOYSA-N 428.806 1.155 50 40 IDGB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CI)cc21 408526165 ASPGHNMAGGKWDN-UHFFFAOYSA-N 430.246 1.087 50 40 IDGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 14025819 ORTDEIRGVVGTIA-UHFFFAOYSA-N 430.417 1.939 50 40 IDGB CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 21971257 GOZROKBQYVIOSX-UHFFFAOYSA-N 430.530 1.364 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2c(c1)OCCO2 103517873 QICBPOKSEJNKHT-KNGSKEOJSA-N 429.454 1.150 50 40 IDGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408864060 SBKSMAHVONABBB-OEAKJJBVSA-N 427.457 1.462 50 40 IDGB C/C(=N/NC(=O)CCn1cnc([N+](=O)[O-])n1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 8782653 QFLAUVJGCMLTEU-MTJSOVHGSA-N 442.388 1.987 50 40 IDGB CCc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 39948757 VKAIFSISDWPMSD-GKGMIHAQSA-N 437.508 1.933 50 40 IDGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)NN)c(N2CCCC2)n1 223460844 INMGVRHMAQUDKK-UHFFFAOYSA-N 438.941 1.296 50 40 IDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 3428733 HKCYDKWBLHEVFI-UHFFFAOYSA-N 445.419 1.796 50 40 IDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)[C@@H]2COc3ccccc3O2)c1 9403920 UGSPTGYMPQSUBL-INIZCTEOSA-N 436.515 1.095 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1C 13006590 HGNDIOFVMOMIGA-HNNXBMFYSA-N 437.493 1.678 50 40 IDGB COc1ccc(OC)c(N2C(=O)/C(=C/NNC(=O)c3ccccc3O)C(O)=NC2=S)c1 17179860 ONDVMHFFDMLXNM-JLHYYAGUSA-N 442.453 1.816 50 40 IDGB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1ccccc1 24929168 KWIFEIZGWRDOCA-LIRRHRJNSA-N 428.514 1.530 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OCC)cc1 408611757 SBLRYIDXZOPZNM-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408657377 JSKCOEMFPOBWHS-BTDZUBADSA-N 447.875 1.064 50 40 IDGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1 2278074 WPLIBBQSLIXTPE-NUYDQDRBSA-N 448.273 1.864 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccnc1 9974311 OHMGHXCSWWKWJH-SSDVNMTOSA-N 447.289 1.846 50 40 IDGB Cn1nc(C(=O)NNC(=O)c2ccc(I)cc2)c2ccccc2c1=O 12821582 SDTDJQBELDAQON-UHFFFAOYSA-N 448.220 1.613 50 40 IDGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1 13764405 XMTRPNSXKIRJJR-LUBYJHFVSA-N 441.440 1.690 50 40 IDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CN1CCOCC1)c1ccccc12 19816680 CCBRGXWHAQRHQB-QHCPKHFHSA-N 436.468 1.288 50 40 IDGB CCn1nc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2cccs2)c2ccccc2c1=O 71796029 VDFGMVYUTJKWBO-OAHLLOKOSA-N 439.497 1.544 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1 409173267 IAFGIAHHJBXFEF-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 28760151 ZWKRXBCJAUKDCI-AAVRWANBSA-N 432.564 1.791 50 40 IDGB in-vitro COc1c(OC(C)=O)ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1[N+](=O)[O-] 59421147 ORGORDBLVOXOGN-KEBDBYFISA-N 439.388 1.333 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408657380 JSKCOEMFPOBWHS-XJSUSFSXSA-N 447.875 1.064 50 40 IDGB NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1 14245590 QDGYFDJNDHVSAZ-UHFFFAOYSA-N 443.572 1.678 50 40 IDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409111323 HYNWCFCOTYFDFI-LPYMAVHISA-N 446.529 1.750 50 40 IDGB CCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)cc1 2343051 KIMJKKRIGWHFBE-WSDLNYQXSA-N 441.496 1.627 50 40 IDGB COc1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c(OC)c1 101478758 YRHIRKVUEIZZEE-YDRQLGOLSA-N 431.470 1.396 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccc(F)cc1 408681344 IXZUQRYFFYKVCT-IHXMYUSMSA-N 443.258 1.773 50 40 IDGB COCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 2782014 SUBDRPUXIZXBKT-APPZFPTMSA-N 430.403 1.581 50 40 IDGB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 96833033 WWURGJYFNWHEHV-UHFFFAOYSA-N 441.507 1.460 50 40 IDGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)cc1 9479101 BHRPCWWNNFUTSO-LSHDLFTRSA-N 435.473 1.992 50 40 IDGB Cc1nn(CC(=O)N/N=C\c2ccc(OC(=O)C[C@H]3SC(=O)NC3=O)cc2)c(=S)[nH]1 32509098 MPHKWDRFAXSBPH-YWOOFRQDSA-N 448.486 1.047 50 40 IDGB O=C(NNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1COc2ccccc2O1 9797988 WNLYWDWZISDMMY-SFHVURJKSA-N 427.417 1.298 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3[N+](=O)[O-])CC2)cc1 36117025 RNDARPDABDYPSW-STZFKDTASA-N 445.501 1.360 50 40 IDGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC(C)C)cccc2OC)cc1 408612666 WPYZLFQCRXZODG-FSJBWODESA-N 442.472 1.696 50 40 IDGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1\C(=O)Nc2ccc(Br)cc21 2277962 KYSHMXYBALHDOG-UHFFFAOYSA-N 445.229 1.380 50 40 IDGB CCOc1c(Br)cc(C(=O)NNC(=O)CNC(=O)[C@@H]2C[C@@H]2C)cc1OC 23187332 AQNHAKNELMHUBK-GXSJLCMTSA-N 428.283 1.390 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)NC[C@@H]1CCCO1 58880695 DETWOLPUOXNTIN-OEBVFIGYSA-N 430.505 1.213 50 40 IDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC)cc2OC)cc1 409163811 YDHAUMCUHFOCOE-FSJBWODESA-N 428.445 1.308 50 40 IDGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)OCc1ccccc1 408998548 BHYZEUHXDWOKLH-CPHRPENTSA-N 426.389 1.899 50 40 IDGB COc1ccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2ccc(OC)c(O)c2)cc1O 31670087 QLLCWEOFRADYOG-YFBGDSSHSA-N 428.445 1.886 50 40 IDGB N#Cc1cc(C#N)c(SCC(=O)NNC(=O)CSc2nc3ccccc3o2)nc1N 39398402 MZXXHVURGAYLIL-UHFFFAOYSA-N 439.482 1.580 50 40 IDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1 9190409 OSVCSPFFGXQYLN-UFFVCSGVSA-N 433.388 1.880 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408657378 JSKCOEMFPOBWHS-PRNVEUERSA-N 447.875 1.064 50 40 IDGB O=C(N[C@@H](C(=O)N/N=C/c1cccnc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065064 MLRCHYDFAHBEAT-UMFTVLFGSA-N 426.436 1.940 50 40 IDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408589946 NPRBMLORCWXGSM-SSDVNMTOSA-N 427.417 1.722 50 40 IDGB CN(CC(=O)NNC(=O)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 26689687 CKTXPWAUCJRFIZ-UHFFFAOYSA-N 425.850 1.150 50 40 IDGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 409254508 ZJQFXGKKWFKWEZ-KTCKORJGSA-N 438.484 1.758 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 1260405 YIBANWQSYGCPQG-PLRJNAJWSA-N 442.859 1.500 50 40 IDGB CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)COc2cccc(Br)c2)cc1 11660483 RGOBSJLREVPPEF-UHFFFAOYSA-N 442.291 1.661 50 40 IDGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(C)(=O)=O 20208920 HPCQRZYSULVKDC-LPYMAVHISA-N 447.513 1.717 50 40 IDGB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408662450 ISVGZCPISUIZGS-UHFFFAOYSA-N 441.440 1.586 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1O 409273504 YPNKODFRHWWTSU-PCYPHTAMSA-N 433.246 1.760 50 40 IDGB O=C(CNCCNc1ccc([N+](=O)[O-])cc1Cl)NNC(=O)c1cccc([N+](=O)[O-])c1 8767987 CZOCWBJXSUPAJX-UHFFFAOYSA-N 436.812 1.619 50 40 IDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 11667591 NXLQKCGFFUFXAG-OEAKJJBVSA-N 444.513 1.360 50 40 IDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccco1 59498778 HDSYQVCAKABHIF-CAOOACKPSA-N 445.373 1.893 50 40 IDGB COc1ccc(/C=N\NC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 104064867 DKWHASKFIBQLFR-NVMNQCDNSA-N 432.349 1.498 50 40 IDGB O=C(C[n+]1ccccc1)NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5810448 YMKCZURXZAKKDZ-UYRXBGFRSA-O 445.455 1.321 50 40 IDGB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 8992607 CTOVHLTUGSVXAY-MLJKTZRHSA-N 446.441 1.295 50 40 IDGB CCOc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 12855041 DNFVGNRWWRCSRJ-UHFFFAOYSA-N 449.529 1.956 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c1 14186703 HNAFRTZGUAYJKB-UHFFFAOYSA-N 444.282 1.913 50 40 IDGB Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 19859312 GZHBFGQYTIAKFJ-HXUWFJFHSA-N 436.468 1.436 50 40 IDGB CCCOc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC 32716650 UHUVSYRVMXEZSC-UHFFFAOYSA-N 441.531 1.627 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59959743 PQOSAXYDMGLZKZ-GCMSVZMUSA-N 426.473 1.156 50 40 IDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 96871518 FXLBSKSTIRSTCR-LCYFTJDESA-N 442.291 1.372 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1C 30867147 XBYILWLUEBBUOT-UHFFFAOYSA-N 443.323 1.476 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 408768918 LXESEPGYDDNGPT-CIAFOILYSA-N 433.486 1.707 50 40 IDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 104601759 XLBOWMQXJCTRRS-HKWRFOASSA-N 439.493 1.916 50 40 IDGB CC(=O)C[C@@H]1[C@]2([N+](=O)[O-])CN(CCBr)C[C@@]1([N+](=O)[O-])c1ccccc1C2=O 19848536 JOCASRDDRJGRLI-USXIJHARSA-N 440.250 1.676 50 40 IDGB O=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10622822 PMFSFEUIBPCONL-UHFFFAOYSA-N 439.877 1.141 50 40 IDGB Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c2ccccc21 15823710 HSVRAQPQDOJTJC-IBGZPJMESA-N 444.488 1.932 50 40 IDGB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1ccccc1 24929156 KWIFEIZGWRDOCA-AUUYWEPGSA-N 428.514 1.530 50 40 IDGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12942680 NJRBLNGMGBYKET-QGZVFWFLSA-N 432.498 1.860 50 40 IDGB COc1ccccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccccc1OC)C=2C#N 988707 LCWFKXSAQINFHP-IQKNENRKSA-N 442.500 1.878 50 40 IDGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccncc3)C2=O)ccc1Br 408532228 MEIAFRAQLVHZRX-UKTHLTGXSA-N 444.245 1.554 50 40 IDGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1 409016653 VFYQHRCKWLOWMV-OEAKJJBVSA-N 427.457 1.705 50 40 IDGB CCNC(=S)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2655567 BXFNWIACHOXZSL-UHFFFAOYSA-N 436.515 1.387 50 40 IDGB O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)CN1CCCc2ccccc21 12553777 RHSQLSVINCVXJK-UHFFFAOYSA-N 445.317 1.779 50 40 IDGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 12576325 GBWDLCWOFJFYND-UHFFFAOYSA-N 431.474 1.129 50 40 IDGB COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 2437334 NDULPHWPXLMVSJ-OTYXRUKQSA-N 431.470 1.852 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccccn1 9307295 NEFZHUJVVAYGSI-LSHDLFTRSA-N 433.388 1.177 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1cccc(C(=O)O)c1 59248396 MJCBJLOPIWCGIF-YDZHTSKRSA-N 427.457 1.755 50 40 IDGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)c(O)c3)s2)cc1 1953700 QUOISSHGVTWXBG-KEBDBYFISA-N 427.442 1.903 50 40 IDGB COc1ccccc1NC(=S)NNC(=O)C(=O)NNC(=S)Nc1ccccc1OC 9137031 ZDFXVZPOBRVFRH-UHFFFAOYSA-N 448.530 1.039 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c(OC)c1OC 35078730 BBTHHQPPWGXTHN-NDENLUEZSA-N 427.523 1.757 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408660257 NGJDXLJNCOIKQB-YKSRAPIUSA-N 447.875 1.064 50 40 IDGB Cc1cccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 3387923 JMUQINDDSANJFR-UHFFFAOYSA-N 447.513 1.164 50 40 IDGB COc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)C(C)C)cc1 13146838 YOROGGFJOSGAAV-UHFFFAOYSA-N 437.499 1.522 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1Cl 408768062 SOLNRJTYPQCZKN-KEBDBYFISA-N 439.877 1.963 50 40 IDGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409257771 UXEGIURCDQIECC-HUHXJTTESA-N 438.484 1.758 50 40 IDGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(OC)c1OC(=O)N1CCOCC1 1026840 VBJHPPIXRRETKG-KRWDZBQOSA-N 441.444 1.785 50 40 IDGB CC(C)CC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 14184014 AEVZPPMSJYTFLL-OAHLLOKOSA-N 434.356 1.946 50 40 IDGB CCn1c(SCC(=O)NNC(=S)NC[C@H]2CCCO2)nnc1-c1cccs1 15898903 MFXLBGOHVVIAPY-LLVKDONJSA-N 426.593 1.793 50 40 IDGB CCOC(=O)N1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 40151218 WTOQTDSEXBTFJZ-UHFFFAOYSA-N 425.489 1.958 50 40 IDGB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1 408643682 BKNUBHXKHYXOCH-UHFFFAOYSA-N 428.401 1.708 50 40 IDGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNS(=O)(=O)c1ccccc1 8820245 XMGWYAYVYARLLN-UKTHLTGXSA-N 439.565 1.959 50 40 IDGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)ccc1OCCN1CCOCC1 12411585 BSCDBKNSPUXXLL-GOSISDBHSA-N 439.472 1.098 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 16309150 PPHKHYNVGZPPOU-CIAFOILYSA-N 435.502 1.792 50 40 IDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1 58918764 XTUINPCXISVOKV-CNRHGSOZSA-N 433.486 1.771 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 408868594 OZLSZBOMDNBMMW-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB O=C(NNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1COc2ccccc2O1 9797991 WNLYWDWZISDMMY-GOSISDBHSA-N 427.417 1.298 50 40 IDGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 12885364 YQNXZXADUYLODS-OAHLLOKOSA-N 425.441 1.346 50 40 IDGB Cn1cc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c2ccccc21 15823713 HSVRAQPQDOJTJC-LJQANCHMSA-N 444.488 1.932 50 40 IDGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)NNC(=O)c1ccccc1 3372808 KPIYILDKBIAUMP-UHFFFAOYSA-N 447.403 1.694 50 40 IDGB O=C(NNC(=O)c1ccc(O)c(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12866769 UBZZGWOAOGPOFX-UHFFFAOYSA-N 439.877 1.141 50 40 IDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(OC)c1OC 16291236 JHQLBNRHSXLPBG-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 1241113 RFYHDJPXBPNBQV-UHFFFAOYSA-N 445.273 1.589 50 40 IDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cc(-c2ccccc2)n[nH]1 8826125 SUOSWFVNPAKEDX-OAHLLOKOSA-N 447.451 1.662 50 40 IDGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)N1CCCCC1 101052164 RNIBTTRSOQGBAY-IHLSGCPSSA-N 448.155 1.777 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Cl)c1OCC(=O)Nc1ccccc1 409158087 XHINHDIVKJLWJB-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9316824 MPKGSTJRQVSMGZ-UHFFFAOYSA-N 443.525 1.800 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 16321297 JHIGGFZGRLBUMU-YBFXNURJSA-N 433.446 1.324 50 40 IDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)CC1 59434063 GYTKLRAXNVYXCQ-HYARGMPZSA-N 441.444 1.411 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408611918 SGMHRUSXFOPQOD-AFUMVMLFSA-N 426.473 1.367 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408885423 ZQHSDKULMYQFGJ-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB COc1ccccc1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12949098 UOHKWFNYTFPOSI-UHFFFAOYSA-N 425.894 1.359 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)Cc3ccc(F)cc3)C2)s1 30816376 YJFNRYRPKXEJNO-OAHLLOKOSA-N 439.534 1.986 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(CC(=O)N/N=C/c2ccc(OC)cc2)N=O)cc1 31623551 WHRKPROTCIBBTG-ZCJKAFFOSA-N 426.433 1.288 50 40 IDGB CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O 169807350 GZIVUJBHWFXBMB-BDHVOXNPSA-N 432.589 1.017 50 40 IDGB CCOc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 9345451 NCDPGUDMAGMYMV-AVIKPIRVSA-N 430.482 1.873 50 40 IDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 16429763 XRSSVDSJDBFPBO-CNHKJKLMSA-N 430.312 1.152 50 40 IDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 20210175 IWTRFQFQDKOYQM-KGENOOAVSA-N 433.486 1.773 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1 409169362 PSKIOUWAEYMQJS-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 9459569 XQOKLYSXZCMWAN-UFFVCSGVSA-N 433.388 1.880 50 40 IDGB COCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2c(C)cccn2c1=O 5022007 VRURVKUCJHMZNU-GSEUPMHVSA-N 425.489 1.286 50 40 IDGB CCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1OC 12697040 YWRPLLLQCRBKAH-UHFFFAOYSA-N 445.472 1.692 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1C[C@H]1CCCO1 16410489 FULMXZPNYQAQHF-LLVKDONJSA-N 426.886 1.067 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@H]1[C@@H](OCC)OC(C#N)=C[C@@]12C(=O)OCC 245238840 BOAMZUZHABXACO-XTMJBTMZSA-N 446.456 1.727 50 40 IDGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)cc1Cl 1265126 BFSGKLQPIDOPBA-UHFFFAOYSA-N 436.877 1.587 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3OC)nnn2-c2nonc2N)c1 9499714 QDJCGHUIMQIPGH-SSDVNMTOSA-N 434.416 1.681 50 40 IDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1 9949069 YABKQPYVSUTWTE-UHFFFAOYSA-N 436.515 1.101 50 40 IDGB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 9982414 LEVJHVRKCMIXNY-VOMSXAGXSA-N 425.441 1.218 50 40 IDGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12736378 OWUWGZFJZCZZSG-UHFFFAOYSA-N 448.526 1.966 50 40 IDGB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 58158847 ANLUMFFLFIAOPA-HNNXBMFYSA-N 425.850 1.313 50 40 IDGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9509588 RPFCLGQPCVAFPE-UHFFFAOYSA-N 443.437 1.562 50 40 IDGB CSc1ccc(N2C[C@H](C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)CC2=O)cc1 12986558 AFHQOLVZLYQYED-GFCCVEGCSA-N 437.481 1.459 50 40 IDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58880794 LMVLJIYBZDTQHF-ORBAKXMTSA-N 438.484 1.758 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 3770079 TZPICPXDSQKSSS-ZBFHGGJFSA-N 443.481 1.768 50 40 IDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc2c(c1)OCO2 6014115 KRYRNUXIDHUEKS-JJFYIABZSA-N 432.400 1.782 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(Br)c2)c1 8734312 MZOXBQJYXGHKDV-UHFFFAOYSA-N 426.292 1.774 50 40 IDGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 408646460 PHEBHBCSCSWACE-UHFFFAOYSA-N 441.440 1.586 50 40 IDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3oc2=O)c1 9616026 RXHGDPSYPFVMGA-UHFFFAOYSA-N 446.510 1.675 50 40 IDGB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc2c(c1)OCO2 12934863 SEAAGNYIJGHEMR-UHFFFAOYSA-N 440.481 1.917 50 40 IDGB CC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 13004694 FKNOZDBFUXEXTC-UHFFFAOYSA-N 443.451 1.980 50 40 IDGB COc1ccccc1OCC(=O)NNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 32869095 RUNZXRHKMHDHBE-UHFFFAOYSA-N 433.383 1.632 50 40 IDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccccc1Cl 408655167 LDWPGPNYEAHPMD-GFCCVEGCSA-N 433.823 1.836 50 40 IDGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@]12C(=O)N(CC(N)=O)c1ccccc12 2229083 XUAMIKIMVKCUSO-DEOSSOPVSA-N 444.447 1.455 50 40 IDGB CCc1sc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1C 9376052 NIXJDQINOMFHMA-NRFANRHFSA-N 426.498 1.773 50 40 IDGB CCOC(=O)[C@H]1NN=C(C(=O)[C@](C)(O)CBr)[C@H]1c1ccc([N+](=O)[O-])cc1 9411304 QMMFHUORWJAFJZ-PVXIVEMSSA-N 428.239 1.284 50 40 IDGB COc1ccc(CCn2c(SC[C@H](O)CCl)nc3c2c(=O)n(C)c(=O)n3C)cc1 12531205 ZRIKTUAYDKANDZ-CYBMUJFWSA-N 438.937 1.377 50 40 IDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 16321299 WBJCAJZMSDHTIR-RGVLZGJSSA-N 434.474 1.130 50 40 IDGB CCOc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)ccc1O 39986673 XNXIFCVZHOHTAZ-MTJSOVHGSA-N 435.502 1.879 50 40 IDGB C=CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1I 59246682 BEQAPDJKTHBWRO-WQRHYEAKSA-N 429.258 1.638 50 40 IDGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 1822049 HEPUEIADRGQJLW-UHFFFAOYSA-N 445.273 1.725 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)NC1CCCCC1 59959879 WGSJVVMYHCWWME-NZYROCMPSA-N 430.505 1.260 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@@H]2C3)c1-c1ccc([N+](=O)[O-])cc1 217959651 FLHQCOUOQOKTQB-SZYQLXAHSA-N 435.404 1.736 50 40 IDGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 409153401 HXNRNUHYQRZVSC-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB COC(=O)C[C@@H]1SC2=C(C(=O)N(C)C)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770100 UXHRPHRFENCNFZ-GOEBONIOSA-N 442.497 1.293 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1cccc(F)c1 33431900 GOUUNGNZNXNUGJ-UKRRQHHQSA-N 431.445 1.899 50 40 IDGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)(C)C)s1 1626482 VEJOWXJRRZAKOX-UHFFFAOYSA-N 446.533 1.920 50 40 IDGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]3[C@]5(C[C@H](O)[C@@H](Br)C[C@@]135)[C@@H]42 104283767 PPEJIKFWQLVNPP-GILGURAWSA-N 428.286 1.307 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1Cl 408783475 LRAMJQHIVGFSJE-KEBDBYFISA-N 439.877 1.963 50 40 IDGB COCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 2782015 SUBDRPUXIZXBKT-IONNQARKSA-N 430.403 1.581 50 40 IDGB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NNC(=O)c1ccc(Cl)cc1 57525927 CGMFCWGVIRZQKU-UHFFFAOYSA-N 429.816 1.611 50 40 IDGB CC(C)CC(=O)N1CCC(NC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 58166353 UJCOTUJNXXYNLN-UHFFFAOYSA-N 440.570 1.432 50 40 IDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 409253938 HACSVMSPRJZRTB-MMDHUZEPSA-N 440.500 1.755 50 40 IDGB CCOc1ccc2ccccc2c1/C=N\NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21 16693151 NUIZURGVIUOSBO-MYKKPKGFSA-N 434.456 1.136 50 40 IDGB Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4)cc3C2=O)no1 408668484 UWQYFEHZZTZNAR-UHFFFAOYSA-N 448.391 1.402 50 40 IDGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C(N)=O)[C@H]1c1ccccc1F 989359 ZDEHYROCIDEIFZ-STKCSNAVSA-N 436.443 1.101 50 40 IDGB O=C(N[C@@H](C(=O)N/N=C/c1ccccn1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065328 JTGOJRKVDVQIFT-UMFTVLFGSA-N 426.436 1.940 50 40 IDGB O=C(NNC(=S)Nc1ccccc1)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 26781637 KYMRMYXLTFJDCF-SFHVURJKSA-N 430.530 1.390 50 40 IDGB COc1ccc(OCC(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408766150 PIYLSPYDMBHCMQ-CBVHTYNASA-N 440.481 1.549 50 40 IDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 38176544 HVTYZLCXBCAWIW-AWQFTUOYSA-N 435.360 1.277 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc(OC)c1OC 408873713 VCKAZLTYDFMILO-SRZZPIQSSA-N 439.465 1.768 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 409151370 GIRIEDXBTDCFFF-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409151494 HHPZWDBYKDQKFF-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 12137600 OXSAIMKXZQAWPO-UHFFFAOYSA-N 433.486 1.210 50 40 IDGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc21 40144457 MUAPJQVIEOXCKX-UHFFFAOYSA-N 429.502 1.354 50 40 IDGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408658999 LOZSZAWOZCKXIQ-RTBURBONSA-N 447.447 1.760 50 40 IDGB O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 5179489 JVPOZEGMCMVPAF-SFHVURJKSA-N 445.903 1.564 50 40 IDGB NNC(=O)C(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl 5808884 QIHPMUGAMPSDGJ-SMNNTEATSA-N 436.255 1.034 50 40 IDGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@@]12C(=O)Nc1cc3c(cc12)OCCO3)OCO4 9128940 IBYYSKYGXOYHJI-DEOSSOPVSA-N 442.431 1.983 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1cccc(O)c1 9308011 CDORJWDWJQJFEF-LSHDLFTRSA-N 448.399 1.488 50 40 IDGB CCOc1c(Br)cc(C(=O)NNC(=O)CNC(=O)[C@@H]2C[C@H]2C)cc1OC 23187336 AQNHAKNELMHUBK-MWLCHTKSSA-N 428.283 1.390 50 40 IDGB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)/C(C#N)=C(/C)N)nc(CC(C)C)nc21 103115547 ZSHDKMSVANISHK-SEYXRHQNSA-N 430.534 1.516 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 408768050 BKSOWPQYWVHCPZ-KEBDBYFISA-N 435.458 1.349 50 40 IDGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409163019 KTFUKEQFSISFCN-BUVRLJJBSA-N 438.484 1.575 50 40 IDGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)C)s1 1627629 MAHPTXQTVYSZRC-UHFFFAOYSA-N 432.506 1.746 50 40 IDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 36020512 SVMXTMYNRSSPQV-ZVBGSRNCSA-N 432.389 1.206 50 40 IDGB COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 102676086 CTOVHLTUGSVXAY-GULXKOIASA-N 446.441 1.295 50 40 IDGB CCn1c(NNC(=O)CCNS(=O)(=O)c2ccccc2F)nc2ccccc2c1=O 11156666 GMJKJCGTCKNJLL-UHFFFAOYSA-N 433.465 1.367 50 40 IDGB C[C@]1(NC(=S)SSC(=S)N[C@@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1 12174364 WCXMGOYWIPEICD-RYUDHWBXSA-N 448.704 1.271 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc3c(c2)OCO3)c1 33508448 QOUYLXMSHISLDB-JMIUGGIZSA-N 435.458 1.203 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)c1 2444746 FUBIWRPZYNSXKC-FSJBWODESA-N 447.459 1.738 50 40 IDGB CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 5409792 KJUJYAAERUTXTH-IRXDYDNUSA-N 449.577 1.832 50 40 IDGB COC(=O)c1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 9423807 YYZPSKNYSWRSER-DISPHTKASA-N 429.454 1.165 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)NCCc1ccccc1 58873428 COLWYCJKAPAGNI-WGOQTCKBSA-N 436.512 1.933 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)NC[C@H]1CCCO1 58880701 DETWOLPUOXNTIN-ANRKENSESA-N 430.505 1.213 50 40 IDGB Cc1cccc2c1=NC(=O)C=2NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 100566696 YGYQKULNCFVRBV-UHFFFAOYSA-N 440.506 1.060 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3355589 ZOFNYYGQIWLBNL-UHFFFAOYSA-N 446.803 1.704 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 16322169 SWUILDAHBDPBTN-PCXKXAPESA-N 433.486 1.543 50 40 IDGB O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccco1 20479536 DUESAUOZIYQZRQ-SILNSSARSA-N 433.262 1.813 50 40 IDGB C/C(=N/OCC(=O)N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21)c1cccs1 100067804 DPFQYYLWLNRSDZ-LROCMQHZSA-N 441.513 1.646 50 40 IDGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 17017057 UGVHOHQTVSHFLS-CTJICSLTSA-N 443.437 1.812 50 40 IDGB CCCCc1ccc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)cc1 89954855 URUQTNFWQKKHGX-SFHVURJKSA-N 437.500 1.355 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 408774124 BBZRTUTYXRUPAO-YBFXNURJSA-N 436.446 1.528 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCCC3)o2)cc1 408869172 RMCRFMJEHVYFAT-OYKKKHCWSA-N 439.472 1.306 50 40 IDGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)C[C@@H](C)O1 13659543 QPHJKXDBNRWZAL-MPRSVLFKSA-N 437.500 1.510 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc(OC)c1OC 20207718 XAMQMMZDLYCKFA-CIAFOILYSA-N 435.502 1.937 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59959757 CXAUNJMLAPIVFQ-SCELWYEFSA-N 440.500 1.546 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 409156239 NKDYZABSFFBRFT-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB Cc1ccc(S(=O)(=O)N(CC(=O)NNC(=O)c2ccccc2O)Cc2ccco2)cc1 17576344 NVNCIVOPLOQLAM-UHFFFAOYSA-N 443.481 1.946 50 40 IDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc2c(C)cc(=O)oc2c1 101473359 DMQJHBOLOJISLW-ZHZULCJRSA-N 448.479 1.938 50 40 IDGB COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 16227350 NNJSXSHHEYJYEV-ZVHZXABRSA-N 429.473 1.920 50 40 IDGB COc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 408646497 POFYVFDRHUYFEX-CYBMUJFWSA-N 445.859 1.706 50 40 IDGB Cc1cccc2c1=NC(=O)C=2NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 14360237 NZNGMLDZRMVJCK-UHFFFAOYSA-N 440.506 1.060 50 40 IDGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccccc1 16249370 CLNDNVCGXFSZDX-FYJGNVAPSA-N 427.486 1.657 50 40 IDGB O=C(NNC(=S)Nc1ccccc1)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 26781635 KYMRMYXLTFJDCF-GOSISDBHSA-N 430.530 1.390 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc(OC)c1OC 408729662 HSADYPPUAPJOFP-CIAFOILYSA-N 435.502 1.937 50 40 IDGB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NNC(=O)c1ccc(Cl)cc1 37227800 NFXQJKAYAQICFC-UHFFFAOYSA-N 442.950 1.169 50 40 IDGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 2254587 BUGYSUNPHYVFCH-LVWGJNHUSA-N 438.484 1.403 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)c1 706070 GVRPZEOSYLYLKZ-WSDLNYQXSA-N 439.480 1.381 50 40 IDGB O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 15133626 OEOUYFAIAMWSHK-UHFFFAOYSA-N 446.217 1.560 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1)NC[C@H]1CCCO1 16546048 NDEDWDLMTXHVNR-SCWWFSKWSA-N 429.502 1.393 50 40 IDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 409207493 VFLXYNZGNKYVGC-GQEMFKIVSA-N 443.500 1.525 50 40 IDGB Nc1nnnn1CC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 2320480 RPBAQHFBXOVZPZ-AWQFTUOYSA-N 430.266 1.747 50 40 IDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 100929836 ZHEMMEQGKXESHJ-YVLHZVERSA-N 438.469 1.687 50 40 IDGB COc1cc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1OCC(=O)OC(C)C 408600959 HTQKZDCDUKZPPJ-WNFQYIGGSA-N 433.421 1.589 50 40 IDGB CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)cc2)CC1 933411 AAOXDFYOVFAEPG-INIZCTEOSA-N 440.591 1.395 50 40 IDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(I)cc1C 9833511 CJAHCGJIGUQMDF-ZHZULCJRSA-N 438.225 1.569 50 40 IDGB O=C(COc1ccccc1Cl)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12977536 OQSONNIKHZHRIS-UHFFFAOYSA-N 437.905 1.965 50 40 IDGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1O 8781132 YCCROTGDHJFRTK-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB CCOc1ncccc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12770458 YUSUXNDUFFLBJV-INIZCTEOSA-N 446.529 1.651 50 40 IDGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)C[C@@H](C)O1 13659546 QPHJKXDBNRWZAL-GPASSZRYSA-N 437.500 1.510 50 40 IDGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)c1 28213168 GVZMLDCLCDCUQT-SSDVNMTOSA-N 432.502 1.084 50 40 IDGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)N1CCCCC1 102646154 RNIBTTRSOQGBAY-JOJVEKOVSA-N 448.155 1.777 50 40 IDGB NNC(=O)C(=O)N/N=C(\C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl 8655302 QIHPMUGAMPSDGJ-SDCZFJSOSA-N 436.255 1.034 50 40 IDGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12758203 UIOQJJZFFZDMIT-MRXNPFEDSA-N 431.514 1.866 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccc(O)c3)CC2)c(C)c1 12902989 XWFNFKNPMGOKLH-UHFFFAOYSA-N 431.514 1.871 50 40 IDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)cc1 12808604 GHZGUWPLPZQUES-LIRRHRJNSA-N 425.441 1.426 50 40 IDGB COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 2135917 FNEMVQMAJBKICH-UHFFFAOYSA-N 428.264 1.765 50 40 IDGB N#CC1=C(N)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=C(C(N)=O)[C@@H]1c1ccc(F)cc1 15023438 UXYVEPPJKHUJAN-JDZKTDJGSA-N 436.443 1.101 50 40 IDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(Br)o1 21968164 ZXHTWEHSJGXVFL-VIFPVBQESA-N 428.214 1.526 50 40 IDGB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408685706 QANKSFCKYGTNFC-HZMAYWFUSA-N 436.258 1.942 50 40 IDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 869521 HYHXDVSTVYYTEG-UHFFFAOYSA-N 447.210 1.823 50 40 IDGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1csc(N2CCOCC2)n1 9885470 UFFURHOHTFOVKS-AWEZNQCLSA-N 433.515 1.244 50 40 IDGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 28213513 CERMJMJZOUDZOU-SSDVNMTOSA-N 432.502 1.084 50 40 IDGB COCCNC(=S)NNC(=O)c1cc(Br)cc(Br)c1O 408588834 ZHUREWUDWLXNRA-UHFFFAOYSA-N 427.118 1.673 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 409151493 HHOSBFJOZGXLJQ-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] 9851330 PEYDGWHDFSPTRL-UHFFFAOYSA-N 439.472 1.793 50 40 IDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12909377 ISQMVTUZDZXYKB-KGLIPLIRSA-N 443.431 1.565 50 40 IDGB Cc1cccc(OCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 15524764 RZERBHVZQZUKML-UHFFFAOYSA-N 447.513 1.246 50 40 IDGB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(S(=O)(=O)CBr)CC1 95992914 JDHMWJLTHPMYSH-UHFFFAOYSA-N 427.324 1.371 50 40 IDGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 12922416 UUSABVFUIIRARU-OAHLLOKOSA-N 431.514 1.854 50 40 IDGB O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1ccc2ccccc2n1 32933174 DFLQCZFNTNZZHN-UZLBHIALSA-N 436.443 1.339 50 40 IDGB COc1ccc(/C(C)=N/NC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)cc1 39948754 TVNRMMRBVVFVOV-LPYMAVHISA-N 439.480 1.381 50 40 IDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 59516066 UIGBRKVNRMWCFA-ZVHZXABRSA-N 429.473 1.920 50 40 IDGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccccc2)C2=C(CC=CC2)C1=O)C1=CCNC=C1 101181445 UWCLQUMMNLEPMT-XHPQRKPJSA-N 436.493 1.594 50 40 IDGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408660255 NGJDXLJNCOIKQB-KMNSEVKQSA-N 447.875 1.064 50 40 IDGB Cc1nn(C)cc1/C=N/NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 13785241 GLHOWGOBSGRMNU-BLTFUYFMSA-N 443.467 1.586 50 40 IDGB O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1NS(=O)(=O)c1cccs1 29564102 ZLFMKXAPVXOUNX-LBPRGKRZSA-N 448.526 1.321 50 40 IDGB Cc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 32843328 DKMIAVPIFQNOON-UHFFFAOYSA-N 433.486 1.156 50 40 IDGB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)s1 408684939 KMSXWBLWSWOGFR-UHFFFAOYSA-N 439.881 1.613 50 40 IDGB COc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1O 1691850 QLLCWEOFRADYOG-FWSOMWAYSA-N 428.445 1.886 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)NC[C@@H]1CCCO1 58880971 BTWILUBUIOERGB-BIXBROTJSA-N 442.447 1.589 50 40 IDGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2Cl)sc1Br 69415256 RFELYPMKCZGYNH-UHFFFAOYSA-N 438.712 1.886 50 40 IDGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)CC2=O)cc1 69923927 LBEHTRQWHDMPOE-OAHLLOKOSA-N 428.514 1.932 50 40 IDGB CCOc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1 2272975 CZVMCFQETYGMJU-MEFGMAGPSA-N 433.468 1.986 50 40 IDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 2075503 WJMQMOULIBZVGT-ZVBGSRNCSA-N 434.246 1.953 50 40 IDGB CN1C(=O)N(C)[C@@H](NC(=O)N/N=C/c2ccccc2)[C@H]1NC(=O)N/N=C/c1ccccc1 13509930 NGUUXJHNJFWBCV-CARQGIFJSA-N 436.476 1.302 50 40 IDGB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408661263 BRAAEEDCFWEMSH-UHFFFAOYSA-N 441.440 1.586 50 40 IDGB COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1OC 9423510 RBXVQVLVQVTPML-JXAWBTAJSA-N 426.473 1.541 50 40 IDGB CC(=O)Nc1ccc(SCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 12699109 YEXJILZPNNBYKR-UHFFFAOYSA-N 449.558 1.800 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409165354 WXRINAQBKMHFEY-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB CCOc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(C)C 12634538 UUJMGLHMWDVVRQ-SFHVURJKSA-N 447.513 1.906 50 40 IDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCC#N 59247066 FIDPKAVKLOYSPC-JAIQZWGSSA-N 425.283 1.532 50 40 IDGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408689743 ZFFNRPMUFLWDKP-YULKNUEKSA-N 439.295 1.942 50 40 IDGB O=C(C[C@@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 2333778 IDDHXVSPJHAQHD-HNNXBMFYSA-N 448.405 1.892 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1 9293491 GMAAJDOWKUTLHA-FSJBWODESA-N 447.459 1.641 50 40 IDGB CCC(O)(CC)C(=O)NN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 2268104 YQCWRGFYJATSHK-UHFFFAOYSA-N 433.530 1.889 50 40 IDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 3081183 FRLDAYWDZMIKKN-LSHDLFTRSA-N 446.416 1.509 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409160568 RNIJGRJVROTFDE-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1 409262453 DVWHGDBMKLPJDI-YDZHTSKRSA-N 444.875 1.666 50 40 IDGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OC 2710065 ISCXJPYJGXKFSI-HXUWFJFHSA-N 440.500 1.962 50 40 IDGB CCN(Cc1nc(C)cc(SCC(=O)NN)n1)S(=O)(=O)c1ccc(Cl)cc1 223459201 YIHAOXUROVTXMV-UHFFFAOYSA-N 429.955 1.731 50 40 IDGB CCOc1ccc(OCc2ccc(C(=O)NN[C@@H]3CC(=O)N(CCOC)C3=O)cc2)cc1 9492960 STZFWSFGXFILBG-HXUWFJFHSA-N 441.484 1.673 50 40 IDGB Cn1c(SCC(=O)NNC(=O)c2cccs2)nnc1[C@@H]1COc2ccccc2O1 9509359 QSFLULKCCLBFEJ-ZDUSSCGKSA-N 431.499 1.942 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc2c1=O 12913732 CHHCHLLPRKNWFH-KRWDZBQOSA-N 447.495 1.616 50 40 IDGB COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1 409016115 SIRFMYGRSMVORY-IWIPYMOSSA-N 441.484 1.634 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccccc1Cl 409156075 KJLAWZPOHDFSGK-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC)cc2OCC)cc1 409162130 CVNCNKSTZJXYAC-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB COc1cccc(-c2csc(N3CCN(CC(=O)NNC(=O)c4ccco4)CC3)n2)c1 1349898 XPLUMFGWTQZSOS-UHFFFAOYSA-N 441.513 1.995 50 40 IDGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1 100795871 YAYIDXFQMWVCMH-NCELDCMTSA-N 437.481 1.553 50 40 IDGB Cn1/c(=N\NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc21 106715523 VAQPAVNTFACUEB-XUTLUUPISA-N 432.527 1.506 50 40 IDGB COc1ccc(CNC(=O)/C(C#N)=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408810820 JVKSPNVOZNSJHN-VHUCWBOISA-N 434.477 1.825 50 40 IDGB N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2207389 MRQTWHGPMYVRJT-SAPNQHFASA-N 448.527 1.752 50 40 IDGB CCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1OC 58305186 JKLUJHUZNODOFX-UHFFFAOYSA-N 437.430 1.480 50 40 IDGB COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c(OC)c1 139050022 KEPUCTDZUDOZDD-OAHLLOKOSA-N 441.440 1.061 50 40 IDGB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NNC(=O)c1ccncc1 9359635 YHKPCXUWEGCGBH-UKTHLTGXSA-N 435.387 1.667 50 40 IDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(OCC(=O)O)cc1 30734268 ZWCGSWKHAMHROX-AFPJDJCSSA-N 435.400 1.282 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 8383242 QHQOYLJJFGHNQC-ZVHZXABRSA-N 427.457 1.690 50 40 IDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)nnn1-c1nonc1N 9496959 WJQQFBGZAAZBQU-DJKKODMXSA-N 429.397 1.256 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 16321264 BLYMFABVTQDULR-CIAFOILYSA-N 446.485 1.202 50 40 IDGB COC(=O)c1cc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)oc1C 40024139 TYSAWAHIKAINTF-UHFFFAOYSA-N 437.478 1.154 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 16186887 BDELQDHRRWBMJT-YBFXNURJSA-N 436.446 1.383 50 40 IDGB COc1ccc(N2C(=O)C[C@@H](N(NC(=O)c3ccc(OC)c(OC)c3)C(C)=O)C2=O)cc1 18222214 HVYMWLGCOWWHKK-QGZVFWFLSA-N 441.440 1.538 50 40 IDGB CCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1OC 32817815 GOWDQKIAYFTKRY-UHFFFAOYSA-N 430.461 1.704 50 40 IDGB O=C(COC(=O)c1ccccc1OC(=O)CBr)OCCCCO[N+](=O)[O-] 114079487 CCHQPOKKYPHENG-UHFFFAOYSA-N 434.195 1.675 50 40 IDGB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 408644179 DWDDQPHJKXHYGO-UHFFFAOYSA-N 426.429 1.368 50 40 IDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC3CCCC3)o2)cc1 408773828 JGBKISSRMMPVRQ-MTJSOVHGSA-N 432.502 1.575 50 40 IDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc(OC)c1OC 2393413 HZNKSPSRXOCGHR-DNTJNYDQSA-N 430.425 1.146 50 40 IDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 34688016 MKMOWXDOSPZLTL-KEBDBYFISA-N 434.474 1.957 50 40 IDGB CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 13004951 AASVLDCWCMJUBG-UHFFFAOYSA-N 427.457 1.828 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OCC)c1 409169598 QDLDMYZROCHNRM-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB O=C(N/N=C/c1ccccc1OCC(=O)N1CCOCC1)C(=O)Nc1cccc(Cl)c1 409264881 LOICXJJXAVBNOI-YDZHTSKRSA-N 444.875 1.666 50 40 IDGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1csc(N2CCOCC2)n1 12984683 UWIKCEXKKWTOSK-UHFFFAOYSA-N 437.330 1.910 50 40 IDGB CSc1ccc(N2C[C@@H](C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)CC2=O)cc1 12986555 AFHQOLVZLYQYED-LBPRGKRZSA-N 437.481 1.459 50 40 IDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 25437784 PAXBIRJMVKMAPR-LAJNKCICSA-N 446.410 1.347 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)c1 1884315 FTFARKNQLJOSKY-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)CSc1cccc2cccnc12 9885376 YVHVIHWXAHQQBA-UHFFFAOYSA-N 438.465 1.633 50 40 IDGB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1ccccc1Cl 32975862 OFRGLFKSLFKBEZ-UHFFFAOYSA-N 443.934 1.426 50 40 IDGB COc1ccc(OCC(=O)NN[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 35682775 HWQYKQGIMMYDIS-GOSISDBHSA-N 428.489 1.738 50 40 IDGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccncc1 998625 NYLBFDXSDBENMA-WSDLNYQXSA-N 433.501 1.895 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)NCc1ccco1 58873906 XNYIELXYNARDDI-RPPGKUMJSA-N 435.440 1.136 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 59246401 LJGXDVWSYRLONZ-LPYMAVHISA-N 428.445 1.965 50 40 IDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2OC)cc1 223156224 DIKRTMBRFYCPLS-UUYOSTAYSA-N 429.429 1.978 50 40 IDGB COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408656662 NUNACXJAIQHPOW-CYBMUJFWSA-N 445.859 1.706 50 40 IDGB COc1cc(C(=O)NN(CCC#N)C2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC 4181195 DNHPSGUDLZOTDN-UHFFFAOYSA-N 444.469 1.722 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)c1 9478228 BRBYYDKALIVZLX-AWQFTUOYSA-N 440.445 1.742 50 40 IDGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1csc(N2CCOCC2)n1 9885471 UFFURHOHTFOVKS-CQSZACIVSA-N 433.515 1.244 50 40 IDGB NC(=O)COc1ccc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1 12973621 LLTLBXUWHMBJGA-UHFFFAOYSA-N 433.464 1.982 50 40 IDGB O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16719285 ALZRCHUXNBNEGD-QGOAFFKASA-N 440.481 1.017 50 40 IDGB CC(=O)C[C@H]1[C@]2([N+](=O)[O-])CN(CCBr)C[C@]1([N+](=O)[O-])c1ccccc1C2=O 100120964 JOCASRDDRJGRLI-HYVNUMGLSA-N 440.250 1.676 50 40 IDGB CN(C(=S)SSC(=S)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 2254505 MUETWXQELDDWNM-NXEZZACHSA-N 448.704 1.175 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1 13006406 WIHHSUZKJOJAMD-UHFFFAOYSA-N 435.502 1.402 50 40 IDGB COCc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)c(=O)c1C#N 409002884 XDJOBVLBYKZHQP-LSHDLFTRSA-N 426.433 1.299 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409161522 YQFXXSDEUADALV-AUEPDCJTSA-N 432.864 1.871 50 40 IDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1 409266300 QHZOFTTZMKHFFU-OEAKJJBVSA-N 440.456 1.022 50 40 IDGB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1F 8882270 DABMHECDUQDNIG-UHFFFAOYSA-N 442.230 1.867 50 40 IDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCC2)o1)C(=O)Nc1cccc(Cl)c1 408883723 VRNJINLZBXTSIO-FMCGGJTJSA-N 445.863 1.260 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc1 3095496 MCHFNRWSUGTSMF-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2C)cc1 12872475 NPJVXKFAMTWTBW-UHFFFAOYSA-N 441.513 1.814 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 32909635 CAGMXYDXEFNTIK-UHFFFAOYSA-N 443.485 1.435 50 40 IDGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 100183277 RBBSNBOISLOFIR-GOSISDBHSA-N 441.440 1.447 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409155558 LSELIGJISZCDNH-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3C(=O)O)nnn2-c2nonc2N)c1 2604054 VWHQLCPKEOYLQN-LSHDLFTRSA-N 448.399 1.370 50 40 IDGB CCCCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)n[nH]c1=O 13985778 NWUGBXCNWKKAMR-UHFFFAOYSA-N 428.312 1.687 50 40 IDGB COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 12761492 CGTMLQRXGHEXNW-GOSISDBHSA-N 445.541 1.794 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccccc1CC 409152337 JPOVNZWYXQRGJY-ZMOGYAJESA-N 426.473 1.861 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409152964 KIXYRABLAUCNNF-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3282528 LARQXQFJQLSSDJ-FYJGNVAPSA-N 431.470 1.698 50 40 IDGB CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccn3)nnn2-c2nonc2N)c1 9344793 YAFHMOCHXPTVCE-FSJBWODESA-N 433.432 1.847 50 40 IDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O 20210487 KLZSLKCVQICNJZ-HYARGMPZSA-N 430.486 1.904 50 40 IDGB COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cnc([N+](=O)[O-])n1 8873231 BTAFNYPXKKFPHL-IFRROFPPSA-N 428.361 1.124 50 40 IDGB biogenic,in-vitro N#C/C(=C\c1cc(I)c(O)c(I)c1)C(N)=O 33906544 JIAJAEZXQFPQIA-LZCJLJQNSA-N 439.978 1.994 50 40 IDGB CCCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)N/N=C/c1ccc(Cl)cc1 89953485 FHKAWQQNMQEQMU-SSDVNMTOSA-N 430.896 1.960 50 40 IDGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1c[nH]c2ccccc12 408732560 WYFZWYLMGDOLRG-DNTJNYDQSA-N 438.429 1.166 50 40 IDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1 1445469 USFGPCFBGPYALH-WSDLNYQXSA-N 439.480 1.381 50 40 IDGB O=C1O[C@H](CI)CC12C[C@@H](CI)OC2=O 97949713 BCFAWHOILIDQEX-NCYRLESRSA-N 435.983 1.474 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 109405667 ZPXNQHWPDLNZQH-UXHMZNKVSA-N 435.440 1.958 50 40 IDGB O=C(NNC(=O)c1cc(F)ccc1Br)c1csc(N2CCOCC2)n1 12971296 IQZDJZVGPJFXLG-UHFFFAOYSA-N 429.271 1.956 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 409184219 FUQMLWSMNVCOBD-SRZZPIQSSA-N 437.449 1.294 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(OC)c1 2208053 AQZFFFLNYOUGER-FOKLQQMPSA-N 448.443 1.989 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N)C1CCCCC1 2443321 YKXYPBVDXCRBPM-KEBDBYFISA-N 429.510 1.822 50 40 IDGB CCOc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1O 16693307 FSBNGRNSWCROAD-MTJSOVHGSA-N 435.502 1.879 50 40 IDGB COc1ccc(NCC(=O)NN[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 35682771 YQVXFQVTABJMTK-GOSISDBHSA-N 427.505 1.771 50 40 IDGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC 59401573 CKFLRQAUUZTLDS-OEAKJJBVSA-N 427.457 1.705 50 40 IDGB CCOc1ccc(/C(C)=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)cc1 25782195 JHRSHPZMJASYLL-LPYMAVHISA-N 439.480 1.381 50 40 IDGB Cc1ccc(S(=O)(=O)/C(C#N)=C/NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 1637482 WACRWXVZEBPFDD-LFIBNONCSA-N 436.540 1.768 50 40 IDGB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1 408661684 GWWCSHUDFFJHON-UHFFFAOYSA-N 448.819 1.971 50 40 IDGB Cn1c(=O)c2c(nc(NNC(=O)c3ccccc3O)n2CCCc2ccccc2)n(C)c1=O 65501926 BONKWUDOHXKQFL-UHFFFAOYSA-N 448.483 1.529 50 40 IDGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\NC(=O)C[C@H](N)C(=O)O 104087673 XVOGZNZTINJLKO-INEXWVMZSA-N 435.308 1.240 50 40 IDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1C 24122078 VZJHQZBCCNCZPW-UHFFFAOYSA-N 443.323 1.524 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 409172130 IFMALKLRHNQBJX-ZMOGYAJESA-N 430.436 1.446 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccc(O)cc2O)nnn1-c1nonc1N)c1ccccc1 9293615 FRNBMBMFKNXYLP-LSHDLFTRSA-N 449.431 1.044 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)NC1CCCCC1 59959910 DUJAMZHGRJCMGS-CVKSISIWSA-N 437.500 1.676 50 40 IDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)no1 408673987 WSFCSZDVICZQNC-FIRGSJFUSA-N 449.099 1.844 50 40 IDGB CC(=O)NNc1nc(C)c(C(/C=C\c2cccc([N+](=O)[O-])c2)=N/NC(=S)NN)s1 17215514 FDKQKUSMOURFJK-IXBKKUQGSA-N 434.507 1.578 50 40 IDGB CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)NNC(=O)c3ccccn3)cc2n1C 89984787 KYNIPSDRGQHWKM-UHFFFAOYSA-N 437.865 1.422 50 40 IDGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCOC)cc2)cc1 409151306 BBPMEFIRIJCKPR-ZVHZXABRSA-N 426.473 1.479 50 40 IDGB CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=S)NC[C@H]3CCCO3)cc2)CC1 933410 AAOXDFYOVFAEPG-MRXNPFEDSA-N 440.591 1.395 50 40 IDGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)NC(N)=O)cc1OC 409248443 KIBLGHAPKNKCDJ-BJMVGYQFSA-N 427.198 1.966 50 40 IDGB O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1csc(N2CCOCC2)n1 12979418 BPZNEFUAVKJWTI-UHFFFAOYSA-N 436.437 1.622 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 58873032 QHWHNPWKXJBTMP-OYKKKHCWSA-N 426.473 1.615 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 102676081 RKFITUOXDYWMMC-AAWHYMEISA-N 449.872 1.730 50 40 IDGB O=C(C[n+]1ccccc1)NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 1628545 YMKCZURXZAKKDZ-CPNJWEJPSA-O 445.455 1.321 50 40 IDGB O[C@@H]1[C@H](CI)O[C@H](Oc2ccc(Br)cc2)[C@H](O)[C@@H]1O 8740199 KMKUGSBGWATLAO-KQSJRHEJSA-N 445.047 1.071 50 40 IDGB biogenic COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1C 21900707 AKSJRGVIRWVCIZ-UHFFFAOYSA-N 447.513 1.872 50 40 IDGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)/C(C#N)=C(/C)N 103085649 HFVPHSNTIONLTI-VKAVYKQESA-N 435.502 1.742 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(C)cc1C 409152798 GGDGIBBOUJRVAN-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)OC 409245898 AOVFVEWVFQJXTH-WMZJFQQLSA-N 426.223 1.501 50 40 IDGB Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c1 12137607 NEFZVQXWMLXKSA-UHFFFAOYSA-N 443.525 1.962 50 40 IDGB COc1ccccc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12758206 UIOQJJZFFZDMIT-INIZCTEOSA-N 431.514 1.866 50 40 IDGB CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)N1CCOCC1 409011461 GRUHHFWWBSMNGY-AQTBWJFISA-N 429.473 1.089 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 409160390 WTBRDQATSMHKQZ-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 3413374 FZAKNHFETUWLIC-GOSISDBHSA-N 433.486 1.318 50 40 IDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(N2CCOCC2)cc1 8642904 AHSNCJXIVIPJRL-ZMOGYAJESA-N 446.471 1.655 50 40 IDGB C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 32907419 RHAAPTFPJUFPRV-HNNXBMFYSA-N 449.515 1.700 50 40 IDGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 1872432 YYIFBAYWRSIAEG-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc(O)c3)nnn2-c2nonc2N)c1 2596198 JSWDYMZNSVYPFU-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB CSCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 5409794 KJUJYAAERUTXTH-SJORKVTESA-N 449.577 1.832 50 40 IDGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)c1 20210127 CMOJOSULJJMSBA-HYARGMPZSA-N 432.502 1.960 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)c1 408781669 CQOLMRMEGLKXIZ-KEBDBYFISA-N 435.458 1.349 50 40 IDGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)c1 408884053 SNPMDIZWYIFWGL-HYARGMPZSA-N 432.502 1.960 50 40 IDGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C(C(=O)N(C)C)=C2S1 1408467 SVNIQWFBDFYTOL-HNNXBMFYSA-N 428.445 1.549 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 2314549 JSNKBKINMMALGT-UHFFFAOYSA-N 437.836 1.774 50 40 IDGB O=C(NNS(=O)(=O)c1cn[nH]c1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 72311780 ADRXGNKIJSIWFZ-HNNXBMFYSA-N 427.486 1.425 50 40 IDGB CC(=O)N/C(=C\c1ccccc1)C(=O)NNS(=O)(=O)c1cccc(Br)c1 96988682 JDXDEUNJWFATOB-YBEGLDIGSA-N 438.303 1.936 50 40 IDGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OC 408754559 KUPKSPUKYURTGU-RQZCQDPDSA-N 434.230 1.912 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 30743007 ITJCJDUVXBDNSC-STZFKDTASA-N 445.501 1.360 50 40 IDGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 409230169 XGHAQXVTWMYEFM-YHYXMXQVSA-N 425.182 1.414 50 40 IDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 9376536 KPVXUFITTPFHIF-UHFFFAOYSA-N 426.498 1.915 50 40 IDGB COc1ccc(OC)c(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)c1 13801784 ZCJWIBYXBKPCQN-JLHYYAGUSA-N 427.442 1.505 50 40 IDGB CC(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408676121 ACHOQJQOEAJGGK-HRTQJFGHSA-N 437.242 1.909 50 40 IDGB IC[C@@H]1OCO[C@@H]2[C@@H]1OCO[C@H]2CI 5732434 WTYFFALQRFEFDO-DKXJUACHSA-N 425.988 1.339 50 40 IDGB Cn1c(=O)c2c(nc(SC[C@H](O)CCl)n2Cc2ccccc2Cl)n(C)c1=O 9144937 PCISSLHEVNAOIG-LLVKDONJSA-N 429.329 1.827 50 40 IDGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)nc2n1 36470857 YSRGUBANVXUHEO-UBKPWBPPSA-N 434.210 1.881 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@@H]1[C@@H]1[C@@H](OCC)OC(C#N)=C[C@]12C(=O)OCC 39738197 BOAMZUZHABXACO-IGRKAJDTSA-N 446.456 1.727 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 409388893 XQFNAOGYFPLAII-YDSTWLSQSA-N 435.436 1.744 50 40 IDGB COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 2437329 NDULPHWPXLMVSJ-LKFCYVNXSA-N 431.470 1.852 50 40 IDGB COc1ccc(OC)c(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)c1 38170476 ZCJWIBYXBKPCQN-RAXLEYEMSA-N 427.442 1.505 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409114259 IOUWWVBAQKBZRW-SRZZPIQSSA-N 437.449 1.294 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 409173523 JHMFPBWZQXAMQT-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB Cc1nn(CCC(=O)NNC(=O)CCn2nc(C(F)(F)F)cc2C)c(C)c1[N+](=O)[O-] 2739398 KJVHOLKPTJLBEA-UHFFFAOYSA-N 431.375 1.560 50 40 IDGB CCOC(=O)c1c(C)oc2ncn(CC(=O)NNC(=O)c3cc(C)c(CC)s3)c(=O)c12 32831292 MKIJZHATHATSJD-UHFFFAOYSA-N 446.485 1.868 50 40 IDGB Cn1c(=O)c2c(nc(NNC(=O)c3ccccc3)n2CCCc2ccccc2)n(C)c1=O 65501901 BQLYHRKURMPUCB-UHFFFAOYSA-N 432.484 1.823 50 40 IDGB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 408644618 HEGCZNJJOPNZCT-CQSZACIVSA-N 445.859 1.706 50 40 IDGB COc1ccc(OCC(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408766153 PIYLSPYDMBHCMQ-ZTBJCTOSSA-N 440.481 1.549 50 40 IDGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1CCC(C)C 3535059 ZRGLWZWYXSQRBH-SZVPOVDMSA-N 435.546 1.905 50 40 IDGB CCn1c(NNC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)nc2ccccc2c1=O 10681481 ZNXRCBQZMMXAQB-UHFFFAOYSA-N 449.467 1.806 50 40 IDGB O=C(COc1ccc(Br)cc1)NNC(=O)Cn1c(=O)cnc2ccccc21 32976233 AABHVBBLRRDGAH-UHFFFAOYSA-N 431.246 1.385 50 40 IDGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2)c1 409253401 BEWOYVHBXUZJKM-ORBAKXMTSA-N 438.484 1.758 50 40 IDGB COc1ccccc1OCc1ccc(C(=O)NNC(=S)NCCCN2CCOCC2)o1 33523454 ASKIAOZDKCWARY-UHFFFAOYSA-N 448.545 1.698 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@H]1[C@H]1[C@@H](OCC)OC(C#N)=C[C@]12C(=O)OCC 100360408 BOAMZUZHABXACO-DAERXSIMSA-N 446.456 1.727 50 40 IDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3ccc(C)cc3)CC2=O)c(OC)c1 14246707 UUDAFIKGXXALRD-HNNXBMFYSA-N 427.457 1.592 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 409165715 AZYNAIIONRYVHC-FSJBWODESA-N 432.864 1.570 50 40 IDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1 409249402 HWEATRUVFQVIDM-MFKUBSTISA-N 438.484 1.463 50 40 IDGB O=C(NNC(=O)c1ccc(Br)cc1F)c1csc(N2CCOCC2)n1 12853052 RKQXEAKCAZSNQF-UHFFFAOYSA-N 429.271 1.956 50 40 IDGB O=C(CN1CCSC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12871872 RWNQUCFILBUFTE-UHFFFAOYSA-N 437.481 1.375 50 40 IDGB CCOC(=O)/C(=C/NNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1ccccc1 408892875 KMOQEMYDFSZELP-FOWTUZBSSA-N 442.384 1.996 50 40 IDGB Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)n1 12666690 JIRJQTZFTYKQKY-UHFFFAOYSA-N 445.476 1.901 50 40 IDGB CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 16688772 JQJIBNKRNIGBBX-CIAFOILYSA-N 448.501 1.520 50 40 IDGB Cc1ccccc1C(=O)NNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 24527729 SPQCLABEIFTYBK-UHFFFAOYSA-N 426.502 1.237 50 40 IDGB COc1ccc(CNC(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 58209786 TYPVCBBMWPBVOQ-UHFFFAOYSA-N 440.481 1.888 50 40 IDGB CC(C)(CCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O)SSc1ccccn1 575628819 AOYGNECNMJPGMS-SNVBAGLBSA-N 434.517 1.854 50 40 IDGB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc(Cl)cc1 8760360 FIDRMPJTJRFZSU-MRXNPFEDSA-N 429.860 1.693 50 40 IDGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 28214050 HFHSZDIKMIYQRB-HUHXJTTESA-N 441.484 1.898 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)NC1CCCCC1 59959896 FITKQDJFIQUPRI-VULFUBBASA-N 437.500 1.676 50 40 IDGB COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408657257 OQFXVBSQRBULHJ-CQSZACIVSA-N 445.859 1.706 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1COc1ccccc1 13713246 CIQBHULWNUXCNQ-UFFVCSGVSA-N 449.387 1.484 50 40 IDGB Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccccc3OCCN(C)C)CC2)c1 89669051 GPWNWDUNTRNSHN-UHFFFAOYSA-N 439.560 1.519 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)NCc1ccccc1 409169560 QVKWLXVFBIUIOU-ZMOGYAJESA-N 426.473 1.365 50 40 IDGB O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](Cc1ccccc1)C(=O)CCl 4536554 JVPOZEGMCMVPAF-GOSISDBHSA-N 445.903 1.564 50 40 IDGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 8993379 BLQDODBRNMPJKB-RQNDZEIBSA-N 443.481 1.555 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@H]2C3)c1-c1ccc([N+](=O)[O-])cc1 9360569 FLHQCOUOQOKTQB-AJCQZMBFSA-N 435.404 1.736 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3n[nH]c4ccccc34)C2)cc1 17399419 KUUYAYMTBDDSFY-OAHLLOKOSA-N 441.513 1.733 50 40 IDGB O=C(NNC(=S)NCCCN1CCOCC1)c1cccc(OC(F)(F)C(F)F)c1 33523471 GJDJLXCNMQHDCC-UHFFFAOYSA-N 438.447 1.755 50 40 IDGB COc1ccc([C@@H]2[C@H](C)[C@@]3(NC(=O)CCl)NC(=O)[C@@](C#N)([C@H]3C)C2(C#N)C#N)cc1 252430958 VVWCECFBBRZHIO-CSOWURJXSA-N 425.876 1.789 50 40 IDGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(N)=O)c(OC)c1)c1ccccc1 408980424 QVIJXOVNYITXQI-ZRWQFTNJSA-N 442.472 1.887 50 40 IDGB O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1csc(N2CCOCC2)n1 12973744 KKRDTVXSCVTFAA-UHFFFAOYSA-N 437.330 1.910 50 40 IDGB COc1ccc(OC)c(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)c1 33738532 VJLXVFVNIXPZQO-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)NC[C@@H]1CCCO1 58873121 SSMJUUCFOCAHHP-FQOPDIHJSA-N 444.532 1.650 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(I)c1O 59488245 AEXFGICNRCYSOP-QGMBQPNBSA-N 433.246 1.618 50 40 IDGB C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 9633598 YVDWRWGUTXWBPZ-LPYMAVHISA-N 436.921 1.978 50 40 IDGB O=C(NNC(=O)c1cc(Br)ccc1O)c1csc(N2CCOCC2)n1 16496071 UUWQPCADJXCAAR-UHFFFAOYSA-N 427.280 1.523 50 40 IDGB COc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1O 9245860 MUKKLMILFNXJSH-LSFURLLWSA-N 437.416 1.542 50 40 IDGB Cn1c(=O)c2c(nc(NNC(=O)c3ccccc3O)n2CCc2ccccc2)n(C)c1=O 32937930 VRXQQGAKLRZUSO-UHFFFAOYSA-N 434.456 1.139 50 40 IDGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(C)=O)cc3)C2=O)c1 408534905 MWLPRFMBDMJMRO-ZTBJCTOSSA-N 437.412 1.268 50 40 IDGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 409243775 YJERNLHJVFFUJG-WZUFQYTHSA-N 440.250 1.892 50 40 IDGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9368749 GGNHZKCDTQAVTA-OEAKJJBVSA-N 428.514 1.660 50 40 IDGB O=C(NNC(=S)NC(=O)c1cccc(I)c1)c1ccncc1 32118624 GZZSLIKAJVWFKK-UHFFFAOYSA-N 426.239 1.636 50 40 IDGB COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)ccc1O 39986726 CRNBTCKPYLQJBN-JMIUGGIZSA-N 441.893 1.834 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 409168258 LYTPKRJEWOPPKQ-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2)c1-c1ccc2c(c1)OCO2 1900925 UPSBYUGJQIRCIQ-ODCIPOBUSA-N 434.372 1.098 50 40 IDGB Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 1754264 JCGFBKVNIAPFRH-UHFFFAOYSA-N 431.365 1.786 50 40 IDGB CNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 2198020 JUYPWSXSTNVINW-OBGWFSINSA-N 428.496 1.983 50 40 IDGB COCCCn1c(SCC(=O)NNC(=O)c2cccc(O)c2)nnc1-c1ccncc1 6904717 RLUGGYIDYDDQGW-UHFFFAOYSA-N 442.501 1.636 50 40 IDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 9171680 RXYYXYKVWZEPLW-MOHJPFBDSA-N 428.832 1.110 50 40 IDGB N#CCC(=O)Nc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 9403910 UTLBLTBARABGCH-UHFFFAOYSA-N 434.500 1.512 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccc(F)cc1 58873821 RKLNRZHIPOAVDB-BPDXMKQKSA-N 442.447 1.589 50 40 IDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)c2ccccc21 1248550 CQQLBVGXQNDBTR-HSZRJFAPSA-N 437.452 1.951 50 40 IDGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 19640924 XHHWUNRBEISQER-OEAKJJBVSA-N 446.485 1.227 50 40 IDGB CC(=O)OC(=O)CCC[C@H](NO)[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 70686649 DARYWTWIBAYGJK-OGWHTMIXSA-N 438.502 1.440 50 40 IDGB biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 3413377 FZAKNHFETUWLIC-SFHVURJKSA-N 433.486 1.318 50 40 IDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OCC 12885315 CDUYARMHGWNVJI-LJQANCHMSA-N 443.456 1.201 50 40 IDGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 409027887 UXHQOHLMVZZSLV-LDADJPATSA-N 435.418 1.809 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OCC)c1 409158903 ZLBZABGJTLKRKO-WYMPLXKRSA-N 430.436 1.828 50 40 IDGB Cc1ccc(NC(=O)CSCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 15939945 NFAOEVNLQWOPBC-UHFFFAOYSA-N 439.497 1.375 50 40 IDGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408534609 MKJHLTPFXXIMLU-VYXQJKENSA-N 425.357 1.218 50 40 IDGB Cc1cc(NC(=O)CSCC(=O)NNC(=O)c2ccc(Br)cc2)no1 9316853 DKFSFPGLVPTKFX-UHFFFAOYSA-N 427.280 1.878 50 40 IDGB O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 12853606 YCWRNPCXKCGNHD-UHFFFAOYSA-N 440.481 1.387 50 40 IDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 16691413 IOCLLFYHDGKJEL-FYJGNVAPSA-N 432.502 1.815 50 40 IDGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(C)=O)cc3)C2=O)cc1 408533506 JXCABWJGFMHGGO-CBVHTYNASA-N 437.412 1.268 50 40 IDGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)c(OCC(=O)O)c2)cc1 14921702 ZAPLHYZWBPGPJQ-ZVBGSRNCSA-N 432.385 1.151 50 40 IDGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 16694010 KPYPHCWJISHXEB-BOPFTXTBSA-N 441.465 1.569 50 40 IDGB COc1ccc(-n2cnnc2SCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 24760358 UKKWIOGAZVSWGW-UHFFFAOYSA-N 427.442 1.558 50 40 IDGB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(\C#N)C(N)=O)CC2)cc1 2201840 MBQIVVZCPGCDBU-SAPNQHFASA-N 444.495 1.730 50 40 IDGB COC(=O)c1ccccc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 103519238 RXVVZVUKDKMTOA-BVTUPMQUSA-N 429.454 1.165 50 40 IDGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1 408729590 CQHBLHZHXAKPLT-QGMBQPNBSA-N 434.434 1.997 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 409388148 UMZSRRMAAAUECC-HMSHQKHKSA-N 449.463 1.673 50 40 IDGB CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccccc1Cl 3770021 QPPFUPGVVSZLAT-TZMCWYRMSA-N 432.889 1.596 50 40 IDGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCC(=O)O 59334371 XPAAKSTXYAPZOO-WMZJFQQLSA-N 430.198 1.758 50 40 IDGB CC(C)c1c(C(=O)N/N=C/c2cc(Br)ccc2O)nnn1-c1nonc1N 1900864 USCXTCKRHHZMEY-NGYBGAFCSA-N 435.242 1.588 50 40 IDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1Cl 9054070 AOBNISJZPAHVOR-VBKFSLOCSA-N 444.875 1.875 50 40 IDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9493932 OKNPIGKCTPBFCW-GOSISDBHSA-N 428.401 1.032 50 40 IDGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 9882952 SJBFCDGLSIIACL-UHFFFAOYSA-N 436.468 1.744 50 40 IDGB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 25529970 ZNNSEVQKMASGEL-GOSISDBHSA-N 431.514 1.694 50 40 IDGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 9317315 QBCSHALZTPYYTP-UHFFFAOYSA-N 431.470 1.317 50 40 IDGB CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 9884226 NQBCOBKTCDGADY-UHFFFAOYSA-N 437.460 1.032 50 40 IDGB CC(C)c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 12990109 WDYWQPYREISHGX-UHFFFAOYSA-N 444.557 1.821 50 40 IDGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 13813870 OFWDLCKZEPTTRX-HNENSFHCSA-N 431.408 1.878 50 40 IDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 408762727 KZDJSTUMXUEGNA-RKQRPNFGSA-N 425.426 1.683 50 40 IDGB O=C(N[C@@H](C(=O)N/N=C/c1ccncc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065216 TVEPKYLZVIEQNB-UMFTVLFGSA-N 426.436 1.940 50 40 IDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 59434168 GJFORLFWTWFAKS-WSDLNYQXSA-N 429.429 1.978 50 40 IDGB CS[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CC(C)C)CN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O 98086074 LCTMJWURSZRACB-JOSSNMMVSA-N 437.046 1.299 50 40 IDGB CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 3771940 UTFNOHYXDMAHIV-MRXNPFEDSA-N 441.465 1.893 50 40 IDGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 9509590 ATQABCSMWOECDR-ZDUSSCGKSA-N 435.889 1.990 50 40 IDGB O=C(CNc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 14921193 PVQBYTIXKNLGLC-CIAFOILYSA-N 428.405 1.902 50 40 IDGB O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CN1CCCc2ccccc21 15901099 OSMKHBYMHYCKFB-UHFFFAOYSA-N 448.520 1.484 50 40 IDGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 20220170 BUSGGMXSTFHEOT-LVWGJNHUSA-N 437.500 1.146 50 40 IDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)ccc1OCc1ccccc1 2357333 CEQYFXPCUIJGCV-FOKLQQMPSA-N 448.443 1.892 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 15162607 MRJVJEUZCCMILK-CIAFOILYSA-N 433.486 1.463 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(Cl)cc1 409154237 NCODSUIITITOKB-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 409155154 PYOWOSWAARURNI-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB O=C(COc1ccc2ccccc2c1)NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 2435147 WVPJLBVMGKMDLL-IBGZPJMESA-N 447.447 1.943 50 40 IDGB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)ccc21 12581992 KCFOXBWGSUMDLA-LLVKDONJSA-N 426.498 1.971 50 40 IDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 9545034 WVTZBPDZEFVYMP-GFCCVEGCSA-N 443.884 1.715 50 40 IDGB O=C(N[C@@H](C(=O)NN=Cc1cccnc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13144348 MLRCHYDFAHBEAT-HXUWFJFHSA-N 426.436 1.940 50 40 IDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1OC 16321301 CYXKVRPHHPEIJS-CIAFOILYSA-N 448.501 1.433 50 40 IDGB COc1ccc(-n2cnnc2SCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 32900513 PWSJQSIJMHZDME-UHFFFAOYSA-N 441.469 1.600 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccc(F)cc1 408681346 IXZUQRYFFYKVCT-LHVLRZJLSA-N 443.258 1.773 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409156364 NNQSVOQLQBWMPX-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)CC1 12977172 LBCNFJRXGODKSS-UHFFFAOYSA-N 442.497 1.444 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccncc1 13788411 AHUWEKYYQCWERX-LSHDLFTRSA-N 433.388 1.177 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1cccnc1 13805029 LJYMFBDIKCKANX-LSHDLFTRSA-N 433.388 1.177 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)NCc1ccco1 58873481 OIQLFUXJPRIWTK-ZMOGYAJESA-N 426.473 1.874 50 40 IDGB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)/C(C#N)=C(/C)N)nc(C(C)(C)C)nc21 104478259 AZIMJBODLYZALG-QXMHVHEDSA-N 430.534 1.615 50 40 IDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1cc(Br)ccc1O 408729526 CEISIKGNKASDQM-OMCISZLKSA-N 432.687 1.876 50 40 IDGB O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccs1 2617878 IEXQMROXIXJCMD-UHFFFAOYSA-N 440.275 1.245 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2c(F)c(F)cc(F)c2F)cc1 2651684 YZQWVGFJIDYGBO-UHFFFAOYSA-N 448.398 1.965 50 40 IDGB CC(C)C[C@H](C(=O)NNC(=O)c1ccccn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9390483 FPLNGVPSOKFDII-OAHLLOKOSA-N 425.401 1.462 50 40 IDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(F)cc1 12517279 CMMPQHJJVAYYKP-UHFFFAOYSA-N 441.463 1.859 50 40 IDGB COc1cc(/C=N/NC(=O)CCN2CCOCC2)cc(I)c1O 13550048 VYRVWXITOHVCCJ-LICLKQGHSA-N 433.246 1.178 50 40 IDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1cccnc1 408744131 YVPABNKYZOKOSQ-PCQWDSEFSA-N 446.286 1.624 50 40 IDGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1C 409151178 ALDPMDQCYVJIQL-ZVHZXABRSA-N 438.484 1.630 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 9307916 MNXHJBKLZVSKQD-GZIVZEMBSA-N 436.363 1.531 50 40 IDGB COC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 15985612 JSPNOXWFMSJXCE-UHFFFAOYSA-N 446.441 1.046 50 40 IDGB NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NN=c2cc[nH]c3cccnc23)cc1 1637756618 ZOIZLQYIYSGSLW-QPGLYAHGSA-N 430.468 1.298 50 40 IDGB CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284086 ZNCKGBFLXBWRRL-YWZLYKJASA-N 433.530 1.844 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c2ccccc2c1=O 72284177 KCSXHOWBUUAMOO-XLIONFOSSA-N 448.483 1.182 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 409170569 WIAPBVAKMXTDEI-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB CN(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1nn(-c2ccccc2)ccc1=O 12338628 RXGCSGZHEMBFAV-UHFFFAOYSA-N 429.414 1.106 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1OC 16186919 FASOLTHFJNEQAH-RGVLZGJSSA-N 435.458 1.173 50 40 IDGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)C[C@@H](C)O1 13659540 QPHJKXDBNRWZAL-IMHSRUNKSA-N 437.500 1.510 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58873530 LJXDVSDQQUMUJF-WGOQTCKBSA-N 440.500 1.027 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)OC(C#N)=C[C@@]12C(=O)OCC 245238837 BOAMZUZHABXACO-QCKZIWOPSA-N 446.456 1.727 50 40 IDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 9223860 VDFWMDHEBLFCTH-CIAFOILYSA-N 435.502 1.792 50 40 IDGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 100809507 SSIPVJQHTAHCDH-MFKUBSTISA-N 426.473 1.883 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408832998 REJGVQRLWHRZHT-FSJBWODESA-N 432.864 1.570 50 40 IDGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(C)(=O)=O)cc1 409026836 ZJVXYDLGHLKYIE-LPYMAVHISA-N 447.513 1.717 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58873518 VVHCCOXMVGVAMR-FSJBWODESA-N 432.864 1.570 50 40 IDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1cccc([N+](=O)[O-])c1 408676093 AANDVURXNBYSKN-ORIIPUBOSA-N 439.218 1.648 50 40 IDGB Cc1c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(=O)n(-c2ccccc2)n1C 408688248 QGKSGEXCNKGGNG-MMCSFCSJSA-N 446.301 1.994 50 40 IDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c(C(=O)O)c1OC 2275602 WTFNIMKCBZTJJO-GZIVZEMBSA-N 429.385 1.011 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1 3200622 UCCQGOPLWJDFNT-FYJGNVAPSA-N 433.486 1.944 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)NC[C@H]1CCCO1 58880976 BTWILUBUIOERGB-YTIGJDNKSA-N 442.447 1.589 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408534487 MDPYXGOPUFNZNU-PDYUXYPTSA-N 435.440 1.958 50 40 IDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 669845 IQYAMKXGXITVDA-UHFFFAOYSA-N 447.210 1.823 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(C(=O)O)cc3)CC2)cc1 30743214 RMMUOOSDTYMORW-HMAPJEAMSA-N 444.513 1.150 50 40 IDGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(C)(=O)=O)cc1 409025418 QYIOMTRYCXQYHN-LPYMAVHISA-N 447.513 1.717 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 409159752 XAUPVWRLNPRLPM-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCOC 409169095 PRRRVEFYUZVBRF-ZVHZXABRSA-N 426.473 1.479 50 40 IDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1 33958585 ZKRFVYNCURYMLA-CNHKJKLMSA-N 434.434 1.852 50 40 IDGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 108422475 UBDNSMOPROGMBL-MHWRWJLKSA-N 431.404 1.805 50 40 IDGB Cc1c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(=O)n(-c2ccccc2)n1C 408688246 QGKSGEXCNKGGNG-ALOQXXIVSA-N 446.301 1.994 50 40 IDGB COc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 1470068 AUGLSJVNRZOPOX-KGENOOAVSA-N 433.486 1.489 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 4996012 ANKUCGXZAXKRCL-KDUYSQSBSA-N 425.489 1.368 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OC)c2O)cc1Cl 16187434 IKNKMOLONQMFSR-JMIUGGIZSA-N 441.893 1.834 50 40 IDGB COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1 28241794 JZZFYOZSMYAGKO-UHFFFAOYSA-N 430.280 1.506 50 40 IDGB Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2cnn(C(C)C)c2n1 11915728 JFKPIWPWVHXYEU-UHFFFAOYSA-N 443.533 1.997 50 40 IDGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC 20207363 QPLHUBZCSZWTOC-UDWIEESQSA-N 435.458 1.757 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1 2403891 OYEJFSYNGNDEGM-FOKLQQMPSA-N 446.427 1.758 50 40 IDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c(F)cccc2Cl)cc1OC 409147326 YMDLWKVNCXWOOT-AWQFTUOYSA-N 429.857 1.925 50 40 IDGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21 989163 MIGJIOFAMLVMLQ-QHCPKHFHSA-N 429.388 1.685 50 40 IDGB biogenic,in-vitro CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 9837661 DEAUJZOKJAEDIW-UHFFFAOYSA-N 440.861 1.127 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1CN1CCc2ccccc21 2329821 WIDPOUMJWZGGNS-BHGWPJFGSA-N 447.434 1.698 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 409168398 MBROUZFPTLKWOY-ZMOGYAJESA-N 430.436 1.446 50 40 IDGB CN(C)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1[N+](=O)[O-] 9307799 ZBZFRPMMMIBZFK-LSHDLFTRSA-N 449.431 1.793 50 40 IDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccc(Cl)cc1 408656616 NOPNSHDIYGPCJT-CYBMUJFWSA-N 433.823 1.836 50 40 IDGB COc1ccc(C(=O)NNC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1 408729491 BMPGGBOGWCVJND-UHFFFAOYSA-N 441.469 1.811 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 409174636 WAKVYSHYMNRBPC-NUGSKGIGSA-N 436.827 1.701 50 40 IDGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 409262668 INCHQYZGXMKJHT-KTCKORJGSA-N 438.484 1.758 50 40 IDGB C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1cc(I)n(C)n1 8955675 YSADJERLIWUYKL-VGOFMYFVSA-N 431.194 1.244 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 12986298 LBRZDQBVOPXNOA-JLTOFOAXSA-N 429.502 1.022 50 40 IDGB CN(CC(=O)NNC(=O)c1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 35388412 GECOCIUSKWZJOE-UHFFFAOYSA-N 444.289 1.579 50 40 IDGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2)cc1 409249217 IVPALDFEVNABPV-ORBAKXMTSA-N 438.484 1.758 50 40 IDGB COc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OCC(N)=O 17518536 HCEIWEFQGFJSJK-UHFFFAOYSA-N 429.473 1.940 50 40 IDGB COc1ccc([C@@H](CNC(=O)NNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1OC 32801828 ZVZBSXYIQXBKBP-GOSISDBHSA-N 446.479 1.860 50 40 IDGB C[C@H](OC(=O)CI)[C@H](C)OC(=O)CI 104360148 GYSXLHFQIXJLIN-WDSKDSINSA-N 425.988 1.720 50 40 IDGB COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 1259686 ZHSDMNIHUKQLEO-UHFFFAOYSA-N 431.246 1.660 50 40 IDGB O=C(CSc1nnnn1-c1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3493035 FYTYCWMOOHDWHG-UHFFFAOYSA-N 433.837 1.777 50 40 IDGB aggregator O=C(NNC(=S)NC[C@@H]1CCCO1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103579838 CXJNPOWMAMNEBS-DGZBYEBGSA-N 438.985 1.901 50 40 IDGB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408690044 ZLVMTYWDGZKABG-FFRIZKCHSA-N 449.301 1.669 50 40 IDGB C=CCNC(=S)NNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 9713979 GRHHDDHSXYADIE-UHFFFAOYSA-N 449.514 1.999 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2oc(=O)ccc2c1 8993011 YDCAABFYWZEKCY-HAKPAVFJSA-N 439.449 1.485 50 40 IDGB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)ccc21 12581987 KCFOXBWGSUMDLA-NSHDSACASA-N 426.498 1.971 50 40 IDGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(C)=O)C2=O)o1 109735283 IMFSFMZGUKYWCU-ZSOIEALJSA-N 429.341 1.993 50 40 IDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 409141913 CGJPKVAXCFJESG-RGVLZGJSSA-N 437.474 1.150 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 409153151 KXDVZQLNUZMMPF-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1 409331283 NRBKRMCLUGIFME-ZBJSNUHESA-N 430.486 1.348 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1-c1ccc([N+](=O)[O-])cc1 1765443 DZBKEOUIZBLQPL-ZVBGSRNCSA-N 437.351 1.711 50 40 IDGB Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-] 408648625 ZXQIQEPLFWTOQI-UHFFFAOYSA-N 428.401 1.626 50 40 IDGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)c1 409170747 WYCCCGFFZBRWCM-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12909392 ISQMVTUZDZXYKB-UONOGXRCSA-N 443.431 1.565 50 40 IDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc(F)cc1 25782220 MDRAGIJLXRPQMO-FBYPQVGPSA-N 441.471 1.900 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCC3)o2)cc1C 408883105 UCEJOUHQYWCPEY-CFRMEGHHSA-N 439.472 1.224 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cc(C)ccc1C 409153133 HDESVLMMOAUKCR-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CC(=O)Nc1cccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 9422729 BDPXXAVEYHFCNP-PMFHANACSA-N 428.470 1.337 50 40 IDGB CN(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(Br)cc1 16187179 IFWSXQQWUSTQTK-VCHYOVAHSA-N 426.292 1.926 50 40 IDGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccncc1 101072533 YAIDQIHHDYYVBM-ZKSVUJDCSA-N 443.095 1.504 50 40 IDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408687115 UJNNCLXRYYYHML-HPKFOSBRSA-N 439.295 1.942 50 40 IDGB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1 21441863 KKSADPFFSIKYOE-UHFFFAOYSA-N 425.470 1.931 50 40 IDGB O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 40128091 NHBKKFVAMJTVIB-INIZCTEOSA-N 428.420 1.976 50 40 IDGB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)s1 138521255 HPBKFTWWAWBZBZ-UHFFFAOYSA-N 425.854 1.223 50 40 IDGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)C[C@@H](C)O1 17526656 IGLZSMVERRUUNW-OKILXGFUSA-N 433.486 1.265 50 40 IDGB Cc1ccccc1[C@@H](C#N)/C(=N\NC(=O)C(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 104280036 JWSMOVJRBZKVIQ-LMCGKPPTSA-N 446.389 1.722 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 3770405 QVLPAQUXZFRQQJ-GOEBONIOSA-N 443.481 1.768 50 40 IDGB COc1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1O 10021441 KBANJMGWVNIJIN-PXLXIMEGSA-N 447.513 1.505 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 704978 PLMHZXUBBXSFBF-QGMBQPNBSA-N 446.221 1.867 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)c(OC)c2)c1 39986666 SJXCUZWIBSPVQP-JAIQZWGSSA-N 437.474 1.189 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 409151287 ADCJWLZLKCGWKU-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB C/C(=N\NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1nonc1C 8856231 IUXBGUJZNYOLAR-OGBFJMLUSA-N 445.439 1.626 50 40 IDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(F)cc2F)nnn1-c1nonc1N 33928333 ZDLVIWAQMPSPMR-WCCZABOQSA-N 445.434 1.649 50 40 IDGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1 409150289 BEZFOLDYOQEKCX-BUVRLJJBSA-N 438.484 1.575 50 40 IDGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9491514 TTYKHDGEBTXWPV-UHFFFAOYSA-N 433.486 1.320 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 409167589 IVZLDOHVDRZHJH-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1O 2293824 DGSCYLZOWIOXPQ-KEBDBYFISA-N 430.299 1.935 50 40 IDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O 408773892 UEHACZMOHVVPBB-KEBDBYFISA-N 439.877 1.963 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 409163576 UKCYIFMDCBIREC-FSJBWODESA-N 432.864 1.570 50 40 IDGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1 8861609 LIAIVAJEMLJRLT-FYJGNVAPSA-N 433.486 1.773 50 40 IDGB COc1ccc(C(=O)NNC(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)cc1 13086601 NLJQERHJUZOIAI-UHFFFAOYSA-N 438.469 1.143 50 40 IDGB CCCCc1ccc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)cc1 89954854 URUQTNFWQKKHGX-GOSISDBHSA-N 437.500 1.355 50 40 IDGB O=C1O[C@@H](CI)CC12C[C@H](CI)OC2=O 97949711 BCFAWHOILIDQEX-RAJUTSIHSA-N 435.983 1.474 50 40 IDGB CN1CCN(C(=S)N=P(Br)(N2CCOCC2)N2CCOCC2)CC1 98050546 KQASAMXTOPGZLO-UHFFFAOYSA-N 440.348 1.524 50 40 IDGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1 2277717 JRAABISPUDWDOT-UHFFFAOYSA-N 445.273 1.725 50 40 IDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(F)cc2F)nnn1-c1nonc1N 33928332 ZDLVIWAQMPSPMR-AKJPKQNRSA-N 445.434 1.649 50 40 IDGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 408882518 QMULLTMBCRYMLV-WSDLNYQXSA-N 432.502 1.029 50 40 IDGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 409314937 UKRHDWCPRJWREL-HZPDHXFCSA-N 429.498 1.840 50 40 IDGB CCOC(=O)C1=C(c2ccccc2)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 6544904 DDDHAHYERVZOCE-XMMPIXPASA-N 444.447 1.313 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2)c1CN1CCCCCC1 15162918 KCNTWBIFZSLQSX-SRZZPIQSSA-N 425.453 1.078 50 40 IDGB Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 28637631 MWRNMLFIGAFFOD-UHFFFAOYSA-N 428.445 1.888 50 40 IDGB Cc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1NC(=O)NNC(=O)c1ccccn1 102986046 WHYGGSQELKDBOY-UHFFFAOYSA-N 448.443 1.718 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 409164084 CGJTVBDGZQTFIT-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COc1cc(/C=N/NC(=O)CSc2nnc(O)[nH]c2=O)ccc1OCc1ccccc1 1748592 PYGMLMBRDDAMNN-UFFVCSGVSA-N 441.469 1.701 50 40 IDGB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 12818821 CAFGSRDUFBZJJB-DOTOQJQBSA-N 443.591 1.356 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)NC[C@H]1CCCO1 28215016 ZEGVKBHEKQKCEB-AOEBSOLLSA-N 439.468 1.651 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)NCc1ccco1 58873727 YBCBTTUUCWSWSU-JFLMPSFJSA-N 448.479 1.784 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)c1-c1ccc([N+](=O)[O-])cc1 101067606 FLHQCOUOQOKTQB-CIBSCNNZSA-N 435.404 1.736 50 40 IDGB COc1ccc(OCc2nnc(SCC(=O)NNC(=O)COc3ccccc3)o2)cc1 408637363 JFOJUWWNLOUQQT-UHFFFAOYSA-N 444.469 1.976 50 40 IDGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409311514 ADGPUJATODUUFL-JKSUJKDBSA-N 432.454 1.507 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccccc1 408688726 XEKPIPIDTPYCJI-DJWYYIDESA-N 425.268 1.634 50 40 IDGB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NNC(=O)c1ccccc1 12891114 WVHBQMCHTMNRAU-SFHVURJKSA-N 433.411 1.724 50 40 IDGB Cc1nc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)nn1-c1ccc(F)cc1 95459095 UZKMSVKCGOUXKN-UHFFFAOYSA-N 430.827 1.446 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 409162815 IEXZLOJILIATOJ-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COc1ccc(OC)c(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1 9422241 NQXGPCTWJJZDGR-JXAWBTAJSA-N 426.473 1.541 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3F)nnn2-c2nonc2N)c1 9479590 SXFXTZWIICZSBT-NUGSKGIGSA-N 440.370 1.950 50 40 IDGB Cc1ccc(SCc2c(C(=O)N/N=C/c3cccnc3)nnn2-c2nonc2N)cc1 9479984 WSBGFEUAPWRWIZ-LSHDLFTRSA-N 435.473 1.992 50 40 IDGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249026 IEGYMMMYOONGCF-SSDVNMTOSA-N 428.445 1.273 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccccc1O 13424685 BDOPVOVEYANOJB-UFFVCSGVSA-N 449.387 1.667 50 40 IDGB COc1ccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1S(=O)(=O)N1CCCC[C@@H]1C 23731403 DFMKLJZYNRJILR-YZGLPLCXSA-N 435.502 1.740 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cc1 16508592 HPIIJMWTKGMKRF-KRWDZBQOSA-N 437.543 1.556 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537117 UNNFGNPUHBUQKX-YTRQYYDFSA-N 439.403 1.789 50 40 IDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NC1CCCCC1 408778834 MDSRCNNCTLSMBL-BKUYFWCQSA-N 432.502 1.657 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1 408908698 XYWOWIRNSRKDMH-CIAFOILYSA-N 449.485 1.163 50 40 IDGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409343157 DQHVWSBRMOPDJF-RELWKKBWSA-N 434.905 1.911 50 40 IDGB Nc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(N)cc3)cc2)cc1 2280605 RMPRYLTYHYUDGD-UHFFFAOYSA-N 432.440 1.001 50 40 IDGB O=C(NNC(=O)c1ccco1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12821880 ASHPTHJMUFPKJN-UHFFFAOYSA-N 441.425 1.325 50 40 IDGB COc1ccc([C@@H]2[C@@H](C)[C@@]3(NC(=O)CCl)NC(=O)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)cc1 100132187 VVWCECFBBRZHIO-OIHUAMNDSA-N 425.876 1.789 50 40 IDGB CCOc1ccc(OCCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9963132 QXCLDKNSBBPRSH-UHFFFAOYSA-N 431.401 1.767 50 40 IDGB CCOC(=O)[C@@H]1NN=C(C(=O)[C@@](C)(O)CBr)[C@@H]1c1ccc([N+](=O)[O-])cc1 17251849 QMMFHUORWJAFJZ-GHJWDPDVSA-N 428.239 1.284 50 40 IDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CN2CCOCC2)c2ccccc21 19816674 WNDDWIBUWGMRQW-XMMPIXPASA-N 434.496 1.928 50 40 IDGB CN(CC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1 12765460 MYKYORPSSGPXGI-UHFFFAOYSA-N 439.559 1.893 50 40 IDGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58882132 GOXSXQLVVMLWOY-KTCKORJGSA-N 438.484 1.758 50 40 IDGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 28215194 HTVPQKIEWNNRBM-RNRKLAHPSA-N 441.484 1.898 50 40 IDGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408802501 FQEHRQUJAZDRSH-FMCGGJTJSA-N 447.879 1.506 50 40 IDGB O=C(CNC(=O)c1ccco1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 1303467 SWMPVFNTPSTETC-QLYXXIJNSA-N 446.419 1.805 50 40 IDGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCOC)cc1 409159526 NHTYQTJOQHLYHP-ZVHZXABRSA-N 426.473 1.479 50 40 IDGB COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 102676087 CTOVHLTUGSVXAY-NCPSJORJSA-N 446.441 1.295 50 40 IDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(O)cc1O 408732148 STMQINMDVYDUCN-DJKKODMXSA-N 442.413 1.803 50 40 IDGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3ccc(C(F)(F)F)n3)o2)cc1 3438110 KRKQVIYCAMTUDT-LSFURLLWSA-N 441.391 1.960 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N/N=C3/C(=O)Nc4ccccc43)C2)cc1 3578613 XRVSBLIPLUKILC-HNNXBMFYSA-N 426.498 1.868 50 40 IDGB O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 11660067 WEAGPHZCEAXKNA-MRXNPFEDSA-N 431.470 1.072 50 40 IDGB CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 12856659 JFEZOZKWGGPZLF-UHFFFAOYSA-N 448.501 1.861 50 40 IDGB O=C(NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc2c(c1)OCO2 108110013 BGYZTLGMTCZMSY-AWEZNQCLSA-N 446.257 1.992 50 40 IDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2c[nH]c3ccccc23)nnn1-c1nonc1N 43756669 RMKRWYIKTOHVTD-ADUFUACUSA-N 448.491 1.852 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 408612699 XCCHRRQROKPVLT-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB CCc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2339527 KQUHXTYCFQOUQT-MRXNPFEDSA-N 427.457 1.841 50 40 IDGB COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc(OC)c1O 3470296 SICSYFOBBMYOEW-FYJGNVAPSA-N 433.486 1.958 50 40 IDGB Cc1c(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C#N)n1C 9508603 HSZJIYITZCNMJD-HZHRSRAPSA-N 443.529 1.309 50 40 IDGB COc1ccc(CCn2c(SC[C@@H](O)CCl)nc3c2c(=O)n(C)c(=O)n3C)cc1 12531201 ZRIKTUAYDKANDZ-ZDUSSCGKSA-N 438.937 1.377 50 40 IDGB CCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC 12696349 SIRKDPPYQNSSQE-UHFFFAOYSA-N 425.441 1.931 50 40 IDGB CN/N=C(\CC(=O)c1sc(NNC(C)=O)nc1C)C(=O)Nc1ccc(OC)cc1OC 104291021 UZJXVBWYIUEEEI-ZVHZXABRSA-N 448.505 1.719 50 40 IDGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 2277883 LUUNWMPPXQITDM-UHFFFAOYSA-N 431.246 1.660 50 40 IDGB O=C(COC(=O)c1cc(Br)ccc1O)NNC(=O)c1ccc([N+](=O)[O-])cc1 8883339 RBHHLGSTQGNYTI-UHFFFAOYSA-N 438.190 1.681 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)N1CCCC1 9232885 DBOLDIJLCXCVAP-ZMOGYAJESA-N 442.447 1.924 50 40 IDGB CCN(CC)c1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1 12759925 XNDLGRIQXUIKEK-UHFFFAOYSA-N 447.561 1.731 50 40 IDGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(=O)NCCO)oc1ccccc12 12628898 MYQJVOAYNJNGET-WYMPLXKRSA-N 426.429 1.524 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 16321282 TXTXMEFLPREFRY-CIAFOILYSA-N 448.501 1.433 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2oc(=O)ccc2c1 102676144 YDCAABFYWZEKCY-ZXMBATIKSA-N 439.449 1.485 50 40 IDGB CC(=O)N1C(=O)[C@@]2(c3ccccc31)c1cccc3c1C(=C1C(=O)OC(=O)[C@@H]12)C(=O)N3C(C)=O 103999313 UUAZDPSHVKNFFN-DVECYGJZSA-N 442.383 1.226 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 409158447 OQBVYLIGCKSGIO-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccc(O)cc1 9463460 RDTLAOMNCUVKFG-UUYOSTAYSA-N 434.416 1.671 50 40 IDGB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 24777860 TWUSWLSXDRQJJD-CQSZACIVSA-N 425.507 1.548 50 40 IDGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc(OC)c1OC 2245880 KZXNDVNATFVGLH-IBGZPJMESA-N 440.500 1.962 50 40 IDGB O=C(Cn1nc([N+](=O)[O-])c(Br)c1[N+](=O)[O-])NNC(=O)c1ccccc1F 8984692 XZZJXQCNQDJKTG-UHFFFAOYSA-N 431.134 1.062 50 40 IDGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(I)ccc1O 9905901 MLMITVNURPPKRE-LPZCBPBVSA-N 449.248 1.977 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1 408789591 MPUSLJMJTIBMMG-YBFXNURJSA-N 436.446 1.528 50 40 IDGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408973254 KVOWCDNMMVRINU-IEEVUCOHSA-N 427.373 1.675 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 3770406 QVLPAQUXZFRQQJ-HOCLYGCPSA-N 443.481 1.768 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408653659 FHPBALMVQWLNGD-KDURUIRLSA-N 449.463 1.984 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 58873042 DAWIEQAZLPSRFU-QQXSKIMKSA-N 440.500 1.027 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409161070 VXWVRRWUXFWWPQ-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB CCOc1ccc(/C=N/NC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)cc1 2520768 YMBRKKCKUQGZJD-WSDLNYQXSA-N 439.480 1.381 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(C#N)cc3)nnn2-c2nonc2N)c1 9497549 BOOMCANGFTYWHH-WYMPLXKRSA-N 443.427 1.934 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)NCc1ccco1 58873973 YYEPKFOAUVNABL-LGJNPRDNSA-N 435.440 1.136 50 40 IDGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3I)no1 9591995 KOOLQKCJSPDSIO-DLFAJOPRSA-N 446.197 1.076 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)NCc1ccco1 58873572 SMMVPOMWIPDCMG-VULFUBBASA-N 434.452 1.741 50 40 IDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1OC 3113402 HUVCVWYBCNYTKA-DNTJNYDQSA-N 447.360 1.106 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 12986292 LBRZDQBVOPXNOA-XOBRGWDASA-N 429.502 1.022 50 40 IDGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNc1cccc(C(=O)O)c1 3427096 NBGQCYBGZYNRMB-UHFFFAOYSA-N 439.255 1.681 50 40 IDGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 16126770 CUDBVHPZJOAWSD-UHFFFAOYSA-N 445.375 1.320 50 40 IDGB COc1ccc(OC)c(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1 16282843 HATKESAYGSXVEX-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 3498194 KBMRECNTQJOJRR-UHFFFAOYSA-N 437.792 1.883 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(N(C)C)cc2)c1 39986647 HABZXJYAETUULX-BKUYFWCQSA-N 434.518 1.541 50 40 IDGB COc1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 102732493 NCYSNJDUCSLGRN-KNGSKEOJSA-N 431.470 1.396 50 40 IDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)n1 408827888 HJAHZFRCGZKCAC-WSDLNYQXSA-N 443.529 1.573 50 40 IDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Br)cc12 1827740 SZZHNNRXHJHYJL-SFHVURJKSA-N 434.246 1.827 50 40 IDGB COc1ccc(Br)cc1/C=N/NC(=O)CNS(=O)(=O)c1ccccc1 17420261 LBWXODGEJXISHR-VCHYOVAHSA-N 426.292 1.886 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c(OC)c1 408775129 ZDKMFFKOEMCJOU-YBFXNURJSA-N 436.446 1.528 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 409171439 BJHKLSSSZVGLAM-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](NNC(=O)c3ccc(C)cc3)C2=O)c1 2355664 MRJUFPTYMKONJH-KRWDZBQOSA-N 439.424 1.135 50 40 IDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccn3C)c2)cc1 12535937 CTQNYDFOQSUUBO-UHFFFAOYSA-N 428.470 1.909 50 40 IDGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccc2c(c1)n(C)c(=O)n2C 3766166 YYZHTRFWYBVTBX-OZNZCJATSA-N 427.530 1.772 50 40 IDGB COC(=O)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 39986718 LCIMZKNBZVNULP-MTJSOVHGSA-N 433.486 1.561 50 40 IDGB NC(=O)NCC(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 40160802 ZTDZORXLBTWXTE-UHFFFAOYSA-N 430.852 1.084 50 40 IDGB C[C@@H](OC(=O)CI)[C@@H](C)OC(=O)CI 104360143 GYSXLHFQIXJLIN-PHDIDXHHSA-N 425.988 1.720 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(F)cc1 1411860 SYDBRAKQXXJRDH-UKRRQHHQSA-N 431.445 1.899 50 40 IDGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1 2195253 GGHNTDYVTMFBML-INIZCTEOSA-N 435.440 1.897 50 40 IDGB O=C(NNC(=S)NC[C@@H]1CCCO1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103579845 CXJNPOWMAMNEBS-HQIQFYROSA-N 438.985 1.901 50 40 IDGB Cc1cc(NC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)no1 408673993 WSFCSZDVICZQNC-JXUBOQSCSA-N 449.099 1.844 50 40 IDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)c1C#N 408996633 JMYJFPHEJUSBKU-LSHDLFTRSA-N 426.433 1.911 50 40 IDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58873069 QLTYVNFHNYMLQH-QFEZKATASA-N 444.463 1.836 50 40 IDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c1C#N 59427716 NSXGALNLWCCFAN-ODCIPOBUSA-N 429.389 1.560 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 409166731 GHJSDKWIZUAYKD-AFUMVMLFSA-N 426.473 1.367 50 40 IDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1c(F)cccc1Cl 2242814 BKZZOSZEDMYOJR-ODCIPOBUSA-N 435.851 1.631 50 40 IDGB COc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(C)cc1Br 16284656 DCTKVVGJTRGNTK-UHFFFAOYSA-N 436.262 1.931 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 409151642 CRICZNNIKQNYKA-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409166669 DZAGUGVYMSEZCK-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)[C@H]1COc2ccccc2O1 2278072 WPLIBBQSLIXTPE-KCBMDGGTSA-N 448.273 1.864 50 40 IDGB COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OS(=O)(=O)c1ccc(F)cc1 8854758 KIPKQMMXQHFNRV-AWQFTUOYSA-N 435.393 1.331 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1OC 16187149 FIDPCAWLNDXFET-RGVLZGJSSA-N 435.458 1.173 50 40 IDGB O=C(NNC(=O)c1cnn2cccnc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 24972082 ACGCFPUQLOAWQN-UHFFFAOYSA-N 439.439 1.506 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)NC1CCCCC1 59959861 NCKLNFXALVZTCV-ZMOGYAJESA-N 426.473 1.874 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1-c1ccc2c(c1)OCO2 1879311 GKTLHGLVQXOGMN-ODCIPOBUSA-N 434.372 1.098 50 40 IDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(OCC)c(OC)c2)nnn1-c1nonc1N 9307089 HHJJHFAEAYNIIE-SRZZPIQSSA-N 428.453 1.746 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 409164042 BPQWYFXHBPPXNV-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 9422712 XZRNWRDPNCMHFQ-CYVLTUHYSA-N 438.484 1.700 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=c2\sc3ccccc3n2C)cc1 9713676 QFTOZGJPXIQASH-QOCHGBHMSA-N 447.542 1.451 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 36489353 SMEXLVDOPZHXGJ-KGENOOAVSA-N 445.501 1.360 50 40 IDGB Cn1cc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C(N)=O 48332356 FNSDZKPLXPBMQN-UHFFFAOYSA-N 449.492 1.963 50 40 IDGB CCC(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 11407000 YOOBELRHVXYZTA-UHFFFAOYSA-N 429.385 1.571 50 40 IDGB O=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 842744 QRVARBGLHSHKDQ-UHFFFAOYSA-N 434.888 1.347 50 40 IDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1C#N 1959056 DAEXFYGSGAHIPE-IFRROFPPSA-N 444.360 1.459 50 40 IDGB COC(=O)N/N=C(\Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104293833 HEVHFUMBXZGJEX-VCHYOVAHSA-N 435.305 1.055 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCCC1 409272103 ONZJAMIKYBSNIT-ZMOGYAJESA-N 442.447 1.924 50 40 IDGB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NNC(=O)c1ccc([N+](=O)[O-])cc1 2618264 IMAUMWWPPUCFQE-UHFFFAOYSA-N 443.397 1.927 50 40 IDGB COc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 8690190 AZZGFNDBOPOTGR-UHFFFAOYSA-N 426.452 1.677 50 40 IDGB C[C@]1(NC(=S)SSC(=S)N[C@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1 16676522 WCXMGOYWIPEICD-TXEJJXNPSA-N 448.704 1.271 50 40 IDGB CCOc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 39986737 VVXNMPBIMIKRLZ-BKUYFWCQSA-N 435.502 1.873 50 40 IDGB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 139095888 UKTSDOVHPARFEJ-MRXNPFEDSA-N 425.441 1.443 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 408767175 JPVUYZSJWAEDFU-CIAFOILYSA-N 449.485 1.407 50 40 IDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(=O)[nH]c3)c2)cc1 12520933 SWSZUAXQBXNYCG-UHFFFAOYSA-N 442.453 1.259 50 40 IDGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccc(O)c1 13081615 NSCAGZRICUQQKS-UHFFFAOYSA-N 443.525 1.743 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3n[nH]c4ccccc34)C2)cc1 17399420 KUUYAYMTBDDSFY-HNNXBMFYSA-N 441.513 1.733 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 58873534 MTZOYNFJZBPOHD-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)Nc1ccccc1 58873887 VROFZUXBUIRFAD-VULFUBBASA-N 431.452 1.866 50 40 IDGB O=C(CN1CCCc2ccccc21)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 69946712 QDMUNLDBZFBFIC-UHFFFAOYSA-N 448.570 1.746 50 40 IDGB CC(=O)NCCCC(=O)NN[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 96624547 GWAGFZHFUBABGC-CYBMUJFWSA-N 434.802 1.528 50 40 IDGB COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1791987 MHDFAGWBDLJXDY-FOWTUZBSSA-N 433.420 1.558 50 40 IDGB COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3501628 PVAOAZKWTSCXPW-UHFFFAOYSA-N 429.418 1.132 50 40 IDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cc(-c2ccccc2)n[nH]1 8826126 SUOSWFVNPAKEDX-HNNXBMFYSA-N 447.451 1.662 50 40 IDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCC1 408781145 AWSNESDAJUWCBO-JAIQZWGSSA-N 438.893 1.484 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409151483 BRUAXIYBYKALHL-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408690056 ZMFBUIIUBQMSNJ-RZRDZNJRSA-N 436.258 1.942 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(F)cc1 1411862 SYDBRAKQXXJRDH-DZGCQCFKSA-N 431.445 1.899 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)NCc1ccccc1 58873807 CGUGUEFSXLOMIM-MOYYISEASA-N 438.484 1.127 50 40 IDGB CC(=O)OC(=O)CCC[C@@H](NO)[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 70686641 DARYWTWIBAYGJK-ZAWLATJESA-N 438.502 1.440 50 40 IDGB biogenic COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c(C#N)c1=O 409056121 MKVJFZSMTMOALF-MSXFZWOLSA-N 431.408 1.883 50 40 IDGB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccc(B(O)O)cc3)CC2)n1 585294758 JIQXLNXVKFAPRV-UHFFFAOYSA-N 428.305 1.855 50 40 IDGB COc1cc(/C=C\C(=N/NC(=S)NN)c2sc(NNC(C)=O)nc2C)ccc1O 5834374 ZLJRATCWBGVDDM-BAEPCCQGSA-N 435.535 1.384 50 40 IDGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 9090725 GKGFXOPIAGVIBZ-FOWTUZBSSA-N 443.481 1.967 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)N1CCCC1 15014038 GASIVJWIUWLOEK-ZMOGYAJESA-N 442.472 1.446 50 40 IDGB CCOc1cc(/C=N\NC(=O)CNC(=O)Cc2ccc(OC)cc2)ccc1OCC(=O)O 28615370 UZSPYCKQASENOC-MSXFZWOLSA-N 443.456 1.366 50 40 IDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(OC)c1OC(=O)N1CCOCC1 1026837 VBJHPPIXRRETKG-QGZVFWFLSA-N 441.444 1.785 50 40 IDGB IC[C@H]1OCO[C@H]2[C@H](CI)OCO[C@@H]12 5732435 WTYFFALQRFEFDO-YWIQKCBGSA-N 425.988 1.339 50 40 IDGB COc1ccc(OCCCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9485690 PFQDSQCUQIXNIZ-UHFFFAOYSA-N 431.401 1.767 50 40 IDGB CCc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 100097120 KQUHXTYCFQOUQT-INIZCTEOSA-N 427.457 1.841 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccc(F)cc1 408681342 IXZUQRYFFYKVCT-DJWYYIDESA-N 443.258 1.773 50 40 IDGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12768830 XSYSZVUSCWHOBD-UHFFFAOYSA-N 429.248 1.810 50 40 IDGB COc1ccccc1N1C(=O)C[C@H](NNC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O 100097128 HCYBTAHFHZBWRS-ZDUSSCGKSA-N 429.429 1.288 50 40 IDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1[N+](=O)[O-] 857159 DAAPZQPGYYYJOB-CYBMUJFWSA-N 433.218 1.924 50 40 IDGB COC(=O)c1ccccc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 9422553 RXVVZVUKDKMTOA-YDRQLGOLSA-N 429.454 1.165 50 40 IDGB COc1ccc(CNC(=O)/C(C#N)=C\[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408810806 JVKSPNVOZNSJHN-RXBGNRNISA-N 434.477 1.825 50 40 IDGB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1ccccc1O 14199026 MUIZHFAAEBFGMN-SECBINFHSA-N 432.285 1.827 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)NC[C@@H]1CCCO1 28215013 ZEGVKBHEKQKCEB-SQKAHNMUSA-N 439.468 1.651 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535550 OCXJOLBCNPDCHC-GZCCIMQBSA-N 439.472 1.634 50 40 IDGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccs1 16187211 YNBJXYHLMRNKLU-GFCCVEGCSA-N 440.572 1.837 50 40 IDGB COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1OCC(=O)O 108895793 OITJAGHUMOSRQZ-ZVBGSRNCSA-N 444.835 1.616 50 40 IDGB O=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1cccc(Cl)c1 408724987 IAGZAJAZEWADER-UHFFFAOYSA-N 434.888 1.347 50 40 IDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccn1 408740752 HWHSCIAGUDCENV-AHURVMIPSA-N 446.286 1.624 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 409155159 PYWXITBFPHDPFI-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 16321252 NJANRUUWBISXGH-RGVLZGJSSA-N 434.474 1.130 50 40 IDGB CC(=O)N/N=C/c1cc(I)cc(Br)c1OCC(=O)O 409017812 VXDRVLUCMQCKSS-LNKIKWGQSA-N 441.019 1.987 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1c(C)cccc1C 409150665 DGTXBYDKWZMUOL-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CCCc1c(C(=O)N/N=C/c2cc(Br)ccc2O)nnn1-c1nonc1N 1900750 JJZIEEJVBNVVAL-CNHKJKLMSA-N 435.242 1.417 50 40 IDGB N#Cc1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3233136 OKTAMQUFWRBKGS-XQNSMLJCSA-N 426.498 1.662 50 40 IDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21 9335044 PSFASTQZTGDDRV-MOHJPFBDSA-N 428.832 1.110 50 40 IDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408687116 UJNNCLXRYYYHML-OOLZNYFQSA-N 439.295 1.942 50 40 IDGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409311513 ADGPUJATODUUFL-HZPDHXFCSA-N 432.454 1.507 50 40 IDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cc1 3209247 OZVBJIVNFSZZMB-UHFFFAOYSA-N 438.893 1.827 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 409151722 IRCGEUFFXJTNOP-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB Cc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9585410 LEDNCFLEBXUULL-HNNXBMFYSA-N 425.441 1.346 50 40 IDGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 12922419 UUSABVFUIIRARU-HNNXBMFYSA-N 431.514 1.854 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20207668 KFMAYDCAWZVGRJ-CIAFOILYSA-N 433.486 1.463 50 40 IDGB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)/C(C#N)=C(\C)N)nc(CC(C)C)nc21 21741655 ZSHDKMSVANISHK-OUKQBFOZSA-N 430.534 1.516 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C(=O)O)ccc1Cl 102676043 COSUWERFOPLTLZ-ZBQKXELDSA-N 449.872 1.730 50 40 IDGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1ccc(Br)cc1)CS2 12883577 YAFOHUFMSZFMEQ-LRDDRELGSA-N 428.308 1.429 50 40 IDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cc(OC)cc(OC)c3)CC2=O)cc1 14686978 FTUDQGYEAFGAEQ-OAHLLOKOSA-N 427.457 1.917 50 40 IDGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1 20210322 RMFYQHQLFZOKHV-HYARGMPZSA-N 432.502 1.960 50 40 IDGB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408685708 QANKSFCKYGTNFC-RZRDZNJRSA-N 436.258 1.942 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 408780957 OLKYCGKMQBENJU-YBFXNURJSA-N 436.446 1.528 50 40 IDGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)s1 1626828 FJQNSNJBKBRASC-UHFFFAOYSA-N 445.288 1.621 50 40 IDGB O=P(/N=C(\N1CCOCC1)C(Cl)(Cl)Cl)(N1CCOCC1)N1CCOCC1 102944110 OJRBXQJAJNYLDU-AQTBWJFISA-N 449.703 1.860 50 40 IDGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=S)NNC(=O)c3ccccc3)C2=O)c(C)c1 408532170 MBHNZAXAPHKFMW-RVDMUPIBSA-N 437.481 1.579 50 40 IDGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NNC(=O)c1ccccc1Cl 408666668 RMFYHKGUSAZNEU-BMEPFDOTSA-N 447.875 1.065 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 409156670 LPXDQQMIJHUIAJ-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 12404001 DZIDAZPBROJUFE-UHFFFAOYSA-N 432.502 1.990 50 40 IDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 25437780 PAXBIRJMVKMAPR-QKVFXAPYSA-N 446.410 1.347 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409154421 ANAWZRBWGBNWIT-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccncc3)nnn2-c2nonc2N)c1 9345977 UGWIAUJPHWICDD-FSJBWODESA-N 433.432 1.847 50 40 IDGB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 9750575 YUHSHCIALVRPCI-OAHLLOKOSA-N 447.835 1.073 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1 16321309 BYUSGOOIHYXWEI-RGVLZGJSSA-N 432.458 1.114 50 40 IDGB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408665062 SUFVRJUIOLGPNA-UHFFFAOYSA-N 427.413 1.196 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)c1 408777848 KELDALLVHKBVJL-CIAFOILYSA-N 449.485 1.545 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 408883960 RXLAELKOEXEZCQ-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc1 1787911 MKYOOFCMDVUHBQ-GDNBJRDFSA-N 428.495 1.753 50 40 IDGB O=C(NCc1ccco1)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49574805 AAXAZKWEIAERHD-KRWDZBQOSA-N 448.479 1.749 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409174504 MXYOSUGIPQUZSA-FSJBWODESA-N 428.445 1.308 50 40 IDGB Cc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1\C(=O)Nc3ccc(C)cc31)C(=O)N2 2322524 YQVXLEKZUYXIQP-UHFFFAOYSA-N 432.440 1.329 50 40 IDGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 28215191 HTVPQKIEWNNRBM-LHXREVONSA-N 441.484 1.898 50 40 IDGB CCOC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 408999565 LRWXMIJRYHVLCG-GRSHGNNSSA-N 428.283 1.173 50 40 IDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CN1CCOCC1)c1ccccc12 19816683 CCBRGXWHAQRHQB-HSZRJFAPSA-N 436.468 1.288 50 40 IDGB COc1ccc(C)c(N2C(=O)C[C@@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 100118527 XLQAOFWXTKRZNB-OAHLLOKOSA-N 443.456 1.596 50 40 IDGB CCn1ncc(NC(=S)NNC(=O)C23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c1C 102645008 GDOAMCVOLNCLHT-SNEKZUEESA-N 443.581 1.820 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1-c1cccc([N+](=O)[O-])c1 3095493 NOBPWRITWIYLHM-AWQFTUOYSA-N 435.360 1.277 50 40 IDGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)C3=CCNC=C3)C(=O)c3ccccc32)cc1 101027877 OITGJVFWBNWLAE-OOAXWGSJSA-N 448.504 1.917 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 409385859 KNNQWKTYXFUFIF-XKDRDYDWSA-N 425.397 1.337 50 40 IDGB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c2ccco2)cc1 9909928 HNOPTIQCCPFZHQ-CQSZACIVSA-N 427.504 1.149 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 3770404 QVLPAQUXZFRQQJ-ZBFHGGJFSA-N 443.481 1.768 50 40 IDGB CCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 32996178 IWTLQOGGTQLSQU-UHFFFAOYSA-N 430.530 1.260 50 40 IDGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)N1CCOCC1 409010398 DRKCBSIPXBKDBC-UCQKPKSFSA-N 427.457 1.792 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 409163615 VAVVYJWNMUPVOR-FSJBWODESA-N 432.864 1.570 50 40 IDGB COc1ccc(NC(=O)NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 842942 LAXIFUAMADDSFI-UHFFFAOYSA-N 429.481 1.307 50 40 IDGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)c2ccccc21 8768197 ZTBSBKQZZMNVIG-QFIPXVFZSA-N 441.440 1.022 50 40 IDGB COc1ccc(OC)c(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 9422535 XAYNKHBVCDNJPN-ATTDUZETSA-N 431.470 1.396 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 14187441 RKCWUSQTQJSAEY-UHFFFAOYSA-N 429.296 1.167 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@H]1[C@@H](OCC)OC(C#N)=C[C@]12C(=O)OCC 245238839 BOAMZUZHABXACO-WLZPQXEGSA-N 446.456 1.727 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1cccnc1 15162691 JSYGDZLWWVVFFQ-UFFVCSGVSA-N 434.376 1.357 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)C(C)C)cc1 408764455 WXBUHRITSHNVQK-NVAXRVGSSA-N 446.529 1.312 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1 409158606 UDPCXPRZFPAORH-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccccc1Cl 408644975 JHKPXPWXZVEJBB-OAHLLOKOSA-N 429.860 1.693 50 40 IDGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)c1 20210041 FYYHTBAUIVDMLW-YBFXNURJSA-N 436.446 1.528 50 40 IDGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1ccc(Cl)s1 25782376 YGSZMUDWJNVMSI-DJKKODMXSA-N 435.901 1.697 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1F 409254552 IVOYWKSWZIIYRY-YDZHTSKRSA-N 428.420 1.152 50 40 IDGB O=C(N/N=C/c1ccccc1OCC(=O)N1CCOCC1)C(=O)Nc1ccccc1F 409271647 VRPOLLQEOYTIHL-YDZHTSKRSA-N 428.420 1.152 50 40 IDGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2I)c(C)o1 9715467 AAFMXMXLVAOECU-UHFFFAOYSA-N 441.225 1.692 50 40 IDGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1OC 13513917 KFVSFOZFZHFZCK-SRZZPIQSSA-N 428.453 1.917 50 40 IDGB Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 19859314 GZHBFGQYTIAKFJ-FQEVSTJZSA-N 436.468 1.436 50 40 IDGB Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c1 95976338 DAODXPSCJDXKKE-UHFFFAOYSA-N 440.481 1.690 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 409164410 IBWNQXMLQZHRBQ-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CCn1c(SCC(=O)OCC(=O)NNC(=O)c2cccs2)nnc1-c1ccco1 9283779 FQGBXLBESPKJIR-UHFFFAOYSA-N 435.487 1.716 50 40 IDGB CCOc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1O 409027584 MDFCFWODKCGAKZ-YBFXNURJSA-N 436.446 1.615 50 40 IDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)NCc1ccccc1 409253016 AIIZPVWZZCEPGZ-VULFUBBASA-N 434.452 1.741 50 40 IDGB N#CC(C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)=C1Nc2ccccc2N1 3298914 YTQJOFPYNVFBDS-ZHACJKMWSA-N 438.465 1.962 50 40 IDGB O=C(COC(=O)/C=C/c1ccc(Br)o1)NNC(=O)c1ccc([N+](=O)[O-])cc1 9963791 ZWCOCUAJJJMQAF-SOFGYWHQSA-N 438.190 1.968 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccccc1 13787736 YVHOBZYMQVMMHG-SSDVNMTOSA-N 432.400 1.782 50 40 IDGB CCOC(=O)c1ccc(NC(=S)NNC(=O)Cn2ncc3ccccc3c2=O)cc1 14944460 GFAJIOHLUGUUJA-UHFFFAOYSA-N 425.470 1.591 50 40 IDGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)c1 28213152 WDVKQEXJTZLAAE-SSDVNMTOSA-N 432.502 1.084 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)N1CCCC1 409152834 GLFLGIUPWCVYTN-MFKUBSTISA-N 438.484 1.463 50 40 IDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409248716 FPNCRLGWXCUWCE-OEAKJJBVSA-N 440.456 1.022 50 40 IDGB COCc1c(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N 8443204 ZSSYZWGPRCOMEY-FBCYGCLPSA-N 425.236 1.840 50 40 IDGB NC(=O)N/N=C/c1ccccc1OCCOCCOc1ccccc1/C=N/NC(N)=O 13810016 ADFOZOCPJVRKKU-RNIAWFEPSA-N 428.449 1.165 50 40 IDGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1O 408724332 BOVXPKNVUOSNNZ-RQZCQDPDSA-N 434.230 1.999 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1cccc(F)c1 33431897 GOUUNGNZNXNUGJ-DZGCQCFKSA-N 431.445 1.899 50 40 IDGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4I)no1 102645695 KOOLQKCJSPDSIO-BMMXIWBESA-N 446.197 1.076 50 40 IDGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409264456 KJDKAQNZVAFSJM-HUHXJTTESA-N 438.484 1.758 50 40 IDGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O 9317929 QCYCNVBLHHNMHP-UHFFFAOYSA-N 427.848 1.812 50 40 IDGB Cc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 9634730 YCBQAHNQZLAZEE-UHFFFAOYSA-N 433.848 1.148 50 40 IDGB CN1C(=O)/C(=N\NC(=O)CCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 100853669 UHQBLGFIILXTKL-QRNPONQASA-N 446.467 1.151 50 40 IDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OCC 12885308 CDUYARMHGWNVJI-IBGZPJMESA-N 443.456 1.201 50 40 IDGB CN1C(=O)N(C)[C@@H](NC(=O)N/N=C/c2ccccc2)[C@@H]1NC(=O)N/N=C/c1ccccc1 13509927 NGUUXJHNJFWBCV-BJPQMVKWSA-N 436.476 1.302 50 40 IDGB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)C[C@@H](C)O1 17526654 IGLZSMVERRUUNW-ZIAGYGMSSA-N 433.486 1.265 50 40 IDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 13057615 GSILWJCWICQDRQ-INIZCTEOSA-N 448.273 1.556 50 40 IDGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCCCNC(N)=O)cc2)n1 32740635 QSRVGUQZAJZJDR-UHFFFAOYSA-N 430.534 1.985 50 40 IDGB COc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1O 33042762 UCXWSCZIEBVUAI-PXLXIMEGSA-N 427.461 1.971 50 40 IDGB O=C(NNC(=O)c1cc(Br)ccc1F)c1csc(N2CCOCC2)n1 36264354 HDHVIKGKHPGAQY-UHFFFAOYSA-N 429.271 1.956 50 40 IDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C#N 27497281 VLLMGEPKWBOIOH-LSFURLLWSA-N 443.416 1.863 50 40 IDGB O=C(COc1ccc2ccccc2n1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408741570 QQNUMQQCQNYAIN-PDYUXYPTSA-N 447.476 1.780 50 40 IDGB CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C2=O 8851990 HNVNUWNBUIEQEP-QQKMHPFRSA-N 434.468 1.631 50 40 IDGB COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)cc1OC 9634910 XNQHZWDGDNTBHD-UHFFFAOYSA-N 436.262 1.657 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59959746 PQOSAXYDMGLZKZ-HUSFYUSLSA-N 426.473 1.156 50 40 IDGB CN(CC(=O)NNC(=O)CN1CCCCCC1=O)S(=O)(=O)c1ccc2ccccc2c1 13009451 GYTZNIFQCROABP-UHFFFAOYSA-N 446.529 1.010 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 13658883 LZBDVANWIIYDSN-SSHXDOOXSA-N 439.516 1.676 50 40 IDGB CCn1c(SCC(=O)NNC(=S)NC[C@@H]2CCCO2)nnc1-c1cccs1 15898902 MFXLBGOHVVIAPY-NSHDSACASA-N 426.593 1.793 50 40 IDGB Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 89547874 SSNJYUQPIXCPQH-LLVKDONJSA-N 444.435 1.990 50 40 IDGB Cc1nn(CC(=O)N/N=C\c2ccc(OC(=O)C[C@@H]3SC(=O)NC3=O)cc2)c(=S)[nH]1 32509097 MPHKWDRFAXSBPH-VDELNHPVSA-N 448.486 1.047 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c1 2220673 BJJCMESMJPLLNG-FOKLQQMPSA-N 448.443 1.989 50 40 IDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OCC 3331501 KNMRJKVOANFUSR-UHFFFAOYSA-N 429.429 1.404 50 40 IDGB CS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Br)n1 28289346 FYUWTCBSOCAVHA-UHFFFAOYSA-N 433.671 1.371 50 40 IDGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)N1CCOCC1 409017908 GJYYRTPOPABOCZ-OEAKJJBVSA-N 427.457 1.705 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 409172787 FOODKOQYZPSRKZ-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB O=C1O[C@H](CI)CC12C[C@H](CI)OC2=O 97949712 BCFAWHOILIDQEX-SFJPZXRQSA-N 435.983 1.474 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408534488 MDPYXGOPUFNZNU-PLVXZXGYSA-N 435.440 1.958 50 40 IDGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408778437 UPJVMWNBMYFHDW-JMIUGGIZSA-N 440.909 1.776 50 40 IDGB Cn1c(=O)c2c(nc(SC[C@@H](O)CCl)n2Cc2ccccc2Cl)n(C)c1=O 9144938 PCISSLHEVNAOIG-NSHDSACASA-N 429.329 1.827 50 40 IDGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9508601 SPHDJPAUDVJMET-UHFFFAOYSA-N 445.423 1.148 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=c2/sc3ccccc3n2C)cc1 103050309 QFTOZGJPXIQASH-ZBJSNUHESA-N 447.542 1.451 50 40 IDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(O)c(O)c1 408732783 YXWMIXVKKTZIDV-DJKKODMXSA-N 442.413 1.803 50 40 IDGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 408534579 MJBDTGIMBYBOBQ-NPNVKNKFSA-N 425.357 1.218 50 40 IDGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCC(N)=O 19646828 KLCAJRSCXXQXSV-HNNXBMFYSA-N 448.277 1.962 50 40 IDGB C(CCC[Si]12OCCN(CCO1)CCO2)CC[Si]12OCCN(CCO1)CCO2 195752872 NDMMSVNYUSCBRJ-UHFFFAOYSA-N 432.666 1.183 50 40 IDGB C/C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)=C1/C=C(Cl)C=CC1=O 198483126 ZVVCYRYDHNYAPV-GHRIWEEISA-N 437.905 1.478 50 40 IDGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408783781 RBHGYAXWDALXQD-JAIQZWGSSA-N 440.909 1.730 50 40 IDGB COc1ccc(-c2n[nH]c(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9468177 LYPQODDCZJOACW-UHFFFAOYSA-N 428.430 1.942 50 40 IDGB COc1ccc(C)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409344110 FJZQVJSNNBWZMQ-ZBJSNUHESA-N 430.486 1.267 50 40 IDGB Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n1C[C@H]1CCCO1 12475143 PDUIIDUKAMKKAL-OAHLLOKOSA-N 439.925 1.737 50 40 IDGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 19943057 WIJLAZFVZWVGCC-DEOSSOPVSA-N 447.495 1.204 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)ccc1O 59434056 MBGIEUCJKHJXKJ-HZHRSRAPSA-N 426.473 1.598 50 40 IDGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@@H]3[C@@H]3[C@]5(C[C@H](O)[C@@H](Br)C[C@@]135)[C@@H]42 104283752 PPEJIKFWQLVNPP-ZPYCFESVSA-N 428.286 1.307 50 40 IDGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc(OC)c1OC 409147336 YPJPTNMJNDLNKS-CIAFOILYSA-N 435.502 1.624 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 409168940 NZZUQZCLNKLGNG-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COc1ccc(N([C@@H](C)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1 409328688 ZVYHEINXBOXPCR-OADOCSNJSA-N 430.486 1.347 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c1 20211168 FQTPXUKEMSBFCP-LPYMAVHISA-N 446.485 1.522 50 40 IDGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=S)NC[C@@H]2CCCO2)C(C)C)c1 26800891 AWLWUORIDQACFW-YOEHRIQHSA-N 438.550 1.133 50 40 IDGB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C(C)C)c1 27243154 WVCZTWHKZQZITO-HXUWFJFHSA-N 431.464 1.987 50 40 IDGB COc1ccc(CC(=O)NNC(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 2630447 ZGZXTYZMHRPTJA-UHFFFAOYSA-N 447.513 1.028 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C(=O)Nc2ccc(Br)cc21 4132492 IYJMRPLYVBVMPA-UHFFFAOYSA-N 426.234 1.575 50 40 IDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O 9341230 UJYVDNJUCNIXIG-PTNGSMBKSA-N 429.429 1.641 50 40 IDGB Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 12483306 PEMPZKKLSDTIEE-UHFFFAOYSA-N 448.486 1.639 50 40 IDGB CN(CC(=O)NNC(=O)c1ccccc1Br)Cc1nc2ccccc2c(=O)[nH]1 16555245 AEJGPOHMLCDUDW-UHFFFAOYSA-N 444.289 1.579 50 40 IDGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CNC(C)=O 4821590 IJEGJZKBIJEHCV-QGZVFWFLSA-N 432.348 1.697 50 40 IDGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc([N+](=O)[O-])cc1 25783392 UPXYOFUSRQCZDE-SRZZPIQSSA-N 433.388 1.962 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 59472863 VWOIHOGXCHIASB-CIAFOILYSA-N 433.486 1.463 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408534152 LNVZWZDKHZMKSM-YJCKXXIQSA-N 441.831 1.913 50 40 IDGB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H](NNC(=O)c3ccc(C)cc3)C2=O)c1 100097107 MRJUFPTYMKONJH-QGZVFWFLSA-N 439.424 1.135 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 408781949 DSHAXUXDUVFOSW-KEBDBYFISA-N 435.458 1.349 50 40 IDGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 409027425 CHGZQXPOMXCGTL-LDADJPATSA-N 435.418 1.809 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 409161100 WKTOHGXFJGCSNZ-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409171176 YMGNAEQQUOWSQJ-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1ccc(Cl)cc1 2658029 PBMPGGKXSQQLJS-UHFFFAOYSA-N 443.934 1.426 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)ccc1O 408785586 HRALUFVPJBFAMS-KEBDBYFISA-N 441.893 1.979 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 409154650 NZEJSXKPKRHZJN-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccccc1F 3432751 GINRITAHOZQSKE-JXMROGBWSA-N 433.461 1.321 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1CNc1ccccc1 9730804 SDDOXCZQIPMJFL-LSHDLFTRSA-N 448.403 1.517 50 40 IDGB COc1cc(/C=C/C(=N/NC(=S)NN)c2sc(NNC(C)=O)nc2C)ccc1O 17215996 ZLJRATCWBGVDDM-MDBPQJRPSA-N 435.535 1.384 50 40 IDGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCC(=O)N1CCOCC1 409198159 YQZOVXIJZBILRX-QVWJKXSPSA-N 436.468 1.690 50 40 IDGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCC[C@@H](C(=O)OCC)C2)nc2c(C)cccn2c1=O 9075690 WMLMFFDANDZUIM-CLEQQJOVSA-N 449.511 1.992 50 40 IDGB COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 12867127 SHGZZNISDJWIFK-SFHVURJKSA-N 435.477 1.378 50 40 IDGB NC(=O)N/N=C/c1cc(I)c(O)c(I)c1 13306708 RXUYESBKONGZOR-KGVSQERTSA-N 430.971 1.604 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1 32912148 FQVKATWQWNPKDL-KRWDZBQOSA-N 434.449 1.030 50 40 IDGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Br)cc2)cc1C 3353776 YGSFROAXHAMMHQ-UHFFFAOYSA-N 440.319 1.805 50 40 IDGB CCOc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)N1CCOCC1 409018986 ZUEJAXQRNRJMRU-UCQKPKSFSA-N 427.457 1.792 50 40 IDGB COc1cc(C(=O)N/N=C/c2ccc(OC(=O)C[C@H]3SC(=O)NC3=O)cc2)ccc1O 2688961 KHNOZPYUUHJQRM-PPAWOMOGSA-N 443.437 1.812 50 40 IDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1 13011629 SIMAISJUIOKZBU-CYBMUJFWSA-N 431.445 1.187 50 40 IDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccccc1OC(F)F 40160770 ZLWHSNMKMJZXEB-LLVKDONJSA-N 425.363 1.772 50 40 IDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)NC2CCCC2)o1)C(=O)Nc1ccccc1 408772395 LHXZROCPVSVWSO-QRVIBDJDSA-N 425.445 1.043 50 40 IDGB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc(Cl)cc1 8760361 FIDRMPJTJRFZSU-INIZCTEOSA-N 429.860 1.693 50 40 IDGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 18271358 RBBSNBOISLOFIR-SFHVURJKSA-N 441.440 1.447 50 40 IDGB COc1cccc(OCC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1 23109276 QHJIMQVJEZQXML-UHFFFAOYSA-N 425.416 1.884 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1ccc(F)cc1 58873824 RKLNRZHIPOAVDB-QZUPYORJSA-N 442.447 1.589 50 40 IDGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1cccc([N+](=O)[O-])c1 25783431 GBZNDIGIEFGGLJ-SRZZPIQSSA-N 433.388 1.962 50 40 IDGB COc1ccc(N2C(=O)C[C@H](N(NC(=O)c3ccc(OC)c(OC)c3)C(C)=O)C2=O)cc1 100128603 HVYMWLGCOWWHKK-KRWDZBQOSA-N 441.440 1.538 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409024729 NOKQXYWCTOXURY-YBFXNURJSA-N 434.430 1.298 50 40 IDGB C=CCNC(=S)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 8433308 WSBQXCHKAXFFLU-OAHLLOKOSA-N 433.559 1.317 50 40 IDGB O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9912587 RFAHWXIYBZYWBH-UHFFFAOYSA-N 437.353 1.772 50 40 IDGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)c(C#N)c2=O)cc1 30834244 WFVDNBKDDZKLMK-MSXFZWOLSA-N 431.408 1.883 50 40 IDGB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)c2ccccc2F)c1 58008713 QZQGRLSHEWWSQQ-CMDGGOBGSA-N 438.433 1.652 50 40 IDGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)c1ccc(OC)cc1 59490269 IFQXIZFZNRSRSX-FYJGNVAPSA-N 433.486 1.788 50 40 IDGB COc1ccc([C@H](CNC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)N2CCCC2)cc1 575425063 XKJDBOKIHYANPQ-ULQDDVLXSA-N 432.011 1.701 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)cc1 1473799 RMMUOOSDTYMORW-HYARGMPZSA-N 444.513 1.150 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c(OC)c1 408781647 DOEKMKGSFFIESG-CIAFOILYSA-N 435.502 1.937 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)c1 2453764 IZISYZHFRMADBP-SSDVNMTOSA-N 434.416 1.681 50 40 IDGB CC[C@](C)(CC(=O)O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16481806 FYERTXDCFBPOLD-IBGZPJMESA-N 425.507 1.513 50 40 IDGB CCOc1ccc2nc(SCC(=O)N/N=C(\C)Cn3nnc([N+](=O)[O-])n3)sc2c1 25580833 OWWHJZAHNBEUBV-RQZCQDPDSA-N 436.479 1.874 50 40 IDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 3449404 DUOMHVNBTVGSOU-UHFFFAOYSA-N 435.502 1.809 50 40 IDGB COc1cc(/C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)ccc1O 8819049 APOWUDGCLMHWJQ-CXUHLZMHSA-N 443.437 1.604 50 40 IDGB COc1cc(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)cc(Br)c1O 13551563 WKZINCHFOBRRHF-UFWORHAWSA-N 447.249 1.668 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)c1 40143220 RCVRXXREZDHLHY-UHFFFAOYSA-N 426.476 1.762 50 40 IDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)c1 409175787 UVOBYVQFSZQCGK-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB COc1ccc(C(=O)NNC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC 32896042 GUACLRUEHPXHRA-XBXARRHUSA-N 428.397 1.450 50 40 IDGB O=C(NC(=S)NNC(=O)c1ccccc1I)c1cccnc1 2316732 XFIJLHOPMKLNRF-UHFFFAOYSA-N 426.239 1.636 50 40 IDGB CO[C@H]1O[C@@H](CBr)[C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 5004699 WJJWINBQQUIINH-FDPKGLCPSA-N 445.262 1.842 50 40 IDGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(I)ccc1O 9905898 MLMITVNURPPKRE-RNFPGXQISA-N 449.248 1.977 50 40 IDGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccc2c(c1)n(C)c(=O)n2C 38203733 YYZHTRFWYBVTBX-JJUBJSHISA-N 427.530 1.772 50 40 IDGB CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 89991089 QJVILASBSMIQSP-UHFFFAOYSA-N 447.513 1.953 50 40 IDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 409259623 BOUDXDITRAVRDT-UFFVCSGVSA-N 436.262 1.938 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 4996011 ANKUCGXZAXKRCL-DWXXHQTDSA-N 425.489 1.368 50 40 IDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(C)cn2)c1 8710357 VBLDWHMPDVJSQO-UHFFFAOYSA-N 441.469 1.669 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1Cl 8991004 COSUWERFOPLTLZ-QENILXLESA-N 449.872 1.730 50 40 IDGB CCNC(=O)/C(C#N)=C/c1c(N2CCC[C@H](C(=O)OCC)C2)nc2c(C)cccn2c1=O 9428187 BGEONIZMFGNGES-WLSWZUKCSA-N 437.500 1.826 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(=O)O)cc1Cl 16187464 LKEWRRWISBROSF-JMIUGGIZSA-N 439.877 1.818 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)/C(C#N)=C(\C)N)n2N)c1 102957844 UQYDRRDRFSVUMO-NTCAYCPXSA-N 449.562 1.107 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccccc1 408707352 JHTZFONAHNJNSO-FOKLQQMPSA-N 447.289 1.340 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409164143 CZMHFTIJXHIXDT-AUEPDCJTSA-N 432.864 1.871 50 40 IDGB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 13163317 ONVMAFBSIDHUGY-UHFFFAOYSA-N 439.877 1.013 50 40 IDGB COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1OC 28196331 IYZYHBSJFPGLAL-UHFFFAOYSA-N 433.486 1.563 50 40 IDGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408663603 ANYYCDBTHXPSJJ-OAHLLOKOSA-N 440.412 1.261 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c1 408787033 ZVPNSGZLTOMHPV-FYJGNVAPSA-N 434.518 1.686 50 40 IDGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 860614 MPGNFRXTZXPBFY-UHFFFAOYSA-N 435.465 1.750 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccnc1 9293465 WIENJCUXKAUPRJ-YDZHTSKRSA-N 432.448 1.418 50 40 IDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 101399756 AWJBOAUDKCDOKF-LQGKIZFRSA-N 444.360 1.165 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OC 9307167 POYNCSQNUWSRHU-AWQFTUOYSA-N 440.445 1.742 50 40 IDGB COc1cc(C(=O)NNC(=O)c2ccccc2C)ccc1OCC(=O)N1CCOCC1 12974673 XGMCETVOBOGCFT-UHFFFAOYSA-N 427.457 1.316 50 40 IDGB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 8825462 FPSJPIHHCXMYTJ-GOSISDBHSA-N 442.428 1.354 50 40 IDGB O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 9850499 QDACRXLENZJQGI-DHZHZOJOSA-N 428.489 1.957 50 40 IDGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 409257951 VDBCOMDCQMPDKZ-PYGAFPFSSA-N 438.484 1.758 50 40 IDGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C)c2ccccc21 989389 WRBHMUULSZGXLR-QFIPXVFZSA-N 425.441 1.784 50 40 IDGB O[C@@H]1[C@@H](CI)O[C@@H](Oc2ccc(Br)cc2)[C@H](O)[C@H]1O 12657417 KMKUGSBGWATLAO-RMPHRYRLSA-N 445.047 1.071 50 40 IDGB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 21166587 SLNGLBYDRVTLER-MRXNPFEDSA-N 425.441 1.443 50 40 IDGB COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c(OC)c1 139050099 KEPUCTDZUDOZDD-HNNXBMFYSA-N 441.440 1.061 50 40 IDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C2/CCc3ccccc32)nnn1-c1nonc1N 33893574 QDGHLYYSHPFCPS-OETDOYICSA-N 435.492 1.687 50 40 IDGB CCn1c(SCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)nnc1-c1ccco1 13004957 MWDFZOYXSDKIBH-UHFFFAOYSA-N 439.457 1.348 50 40 IDGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(C)(=O)=O 408907147 LLDFLMDPCRHSCX-HYARGMPZSA-N 432.502 1.960 50 40 IDGB O=C(COc1ccc(I)cc1)NNC(=S)NC(=O)c1ccco1 2751844 DWRVMIYMEZDVHZ-UHFFFAOYSA-N 445.238 1.599 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 9293654 SLVGSMNTAYUGMB-FSJBWODESA-N 447.459 1.641 50 40 IDGB COc1ccc(C(=O)NNC(=O)COC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 9385066 UKUMCAFINSVVNX-UHFFFAOYSA-N 440.408 1.493 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1 9520544 CHNJFOFNYOSLFN-UHFFFAOYSA-N 445.476 1.402 50 40 IDGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O 20210561 ISGPJMIXIOYQLP-FYJGNVAPSA-N 433.486 1.773 50 40 IDGB COc1ccc(OC)c(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(O)=NC2=S)c1 37492579 ONDVMHFFDMLXNM-RAXLEYEMSA-N 442.453 1.816 50 40 IDGB CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284087 ZNCKGBFLXBWRRL-FOIQADDNSA-N 433.530 1.844 50 40 IDGB CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 5409793 KJUJYAAERUTXTH-DLBZAZTESA-N 449.577 1.832 50 40 IDGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1ccc(F)cc1 9368547 UJUXLPWNXZETJS-YDZHTSKRSA-N 432.477 1.490 50 40 IDGB COc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1 9833739 HGCGVBZPYPGPDT-UHFFFAOYSA-N 430.486 1.515 50 40 IDGB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13109093 MLGCKADFUBCMGE-UHFFFAOYSA-N 449.441 1.071 50 40 IDGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)[C@@H]13)[C@H]2Br 408690046 ZLVMTYWDGZKABG-IKIFYQGPSA-N 449.301 1.669 50 40 IDGB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408690048 ZLVMTYWDGZKABG-KPLDXPABSA-N 449.301 1.669 50 40 IDGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409342365 BVHJNICTWPCGSQ-RELWKKBWSA-N 434.905 1.911 50 40 IDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)ccc1O 2451090 TZGRGDVIMXEUPA-UFWORHAWSA-N 426.418 1.439 50 40 IDGB CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 3771941 UTFNOHYXDMAHIV-INIZCTEOSA-N 441.465 1.893 50 40 IDGB CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C2=O 8851992 HNVNUWNBUIEQEP-FHDQPZTMSA-N 434.468 1.631 50 40 IDGB COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 13136858 FSODBBVDJSBKIE-GASCZTMLSA-N 447.513 1.568 50 40 IDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccccc1C 60118131 UKCXAPRYEFUTSX-OYKKKHCWSA-N 440.500 1.803 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409162691 HBCFLKJLIBDHBG-UFFVCSGVSA-N 433.262 1.663 50 40 IDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9492933 OKNPIGKCTPBFCW-SFHVURJKSA-N 428.401 1.032 50 40 IDGB Cc1ccc(NC(=O)CC/C(CC(=O)c2ccc(F)cc2)=N\NC(=O)C(=O)NN)cc1C 5813630 PXURFKCXRZBPBS-OVVQPSECSA-N 441.463 1.896 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)c1 17060587 MJHHCWCTHLJWIL-UHFFFAOYSA-N 426.223 1.250 50 40 IDGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1O 12930917 HGKQXDMKBGOBKB-UHFFFAOYSA-N 437.905 1.908 50 40 IDGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408788778 GVWVRYMEEGGLLJ-CFRMEGHHSA-N 441.488 1.470 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1OC 408783574 OUSXRYKQVUJLLZ-YBFXNURJSA-N 436.446 1.528 50 40 IDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3O)CC2)cc1OC 408970652 JTQONHPZRMFWDL-HYARGMPZSA-N 447.513 1.960 50 40 IDGB COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)cc2)C=3C#N)cc1 848242 YQJQASJBTLOOCV-LYCWOWIHSA-N 442.500 1.878 50 40 IDGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3)nnn2-c2nonc2N)c1 1899439 DZUSCHYHFNYYHF-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCCCN3CCOCC3)c2c1 23424386 XAEWPOKJBVGWTE-UHFFFAOYSA-N 443.548 1.093 50 40 IDGB COc1cccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 30743228 ALZXQOYUAFDSJR-JCMHNJIXSA-N 430.530 1.460 50 40 IDGB COc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc(OC)c1OC 107862519 GHSNPAQNRQJLSE-HMAPJEAMSA-N 449.529 1.667 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 409388892 XQFNAOGYFPLAII-NWFVXXGESA-N 435.436 1.744 50 40 IDGB CN1C(=O)N(C)[C@H](NC(=O)N/N=C/c2ccccc2)[C@H]1NC(=O)N/N=C/c1ccccc1 13509924 NGUUXJHNJFWBCV-MVHVSFROSA-N 436.476 1.302 50 40 IDGB COc1ccc(OC)c(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 102725974 XAYNKHBVCDNJPN-RKPNYOAGSA-N 431.470 1.396 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408998287 PULYDOAOTDOCJP-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1O 17472616 FKIUOFMSWXMPRS-CNHKJKLMSA-N 443.197 1.365 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408531342 GSVWFMPOXNRBRE-KHAGQWAKSA-N 425.376 1.399 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409158028 JUVJOFCQIQRPHE-UFFVCSGVSA-N 433.262 1.663 50 40 IDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(Br)c1O 36312507 CCWSTDKSKNQBSC-DJKKODMXSA-N 431.250 1.967 50 40 IDGB COc1ccc([C@H]2[C@@H](C)[C@@]3(NC(=O)CCl)NC(=O)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)cc1 100132180 VVWCECFBBRZHIO-VABFPNLRSA-N 425.876 1.789 50 40 IDGB N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1Cl 95941922 JNYZIEZTGAVTHE-UHFFFAOYSA-N 442.744 1.200 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409166096 CLRZARQTKBTFIL-ZMOGYAJESA-N 440.456 1.474 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2c(C)cccn2c1=O 2203931 LZBDVANWIIYDSN-FBYAIYFHSA-N 439.516 1.676 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)ccc1O 408773835 MLXSIFWHBBPZDX-KEBDBYFISA-N 441.893 1.979 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 409025564 SJDWASLLLXKYJZ-YBFXNURJSA-N 436.446 1.528 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)c1ccco1 25524181 BREMBUBWJUZBGQ-UHFFFAOYSA-N 429.241 1.756 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccncc1 108949382 JVNHWMZVBCPDPD-WSDLNYQXSA-N 447.289 1.846 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 9442355 JPVPLFXTRDGPSB-OAHLLOKOSA-N 430.486 1.102 50 40 IDGB COc1cc(/C=C2\SC(=S)N(CCC(=O)NNC(C)=O)C2=O)cc(OC)c1OC 12032372 SAVQFZMHEXOLPD-ZROIWOOFSA-N 439.515 1.471 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 33929312 IJKYFHHGYCJSDC-CFRMEGHHSA-N 446.891 1.960 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)C(C)C)cc1 408764458 WXBUHRITSHNVQK-QOOAHNBZSA-N 446.529 1.312 50 40 IDGB COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 9365549 MVALBPXIELQDLS-UHFFFAOYSA-N 437.474 1.038 50 40 IDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cccc(Cl)c1 28213268 PWRQNCIHUCZKJH-UFFVCSGVSA-N 438.893 1.120 50 40 IDGB CNc1c(I)cc(/C=N/NC(N)=O)cc1I 408742872 TVZVJXNRGWAAQD-LNKIKWGQSA-N 444.014 1.940 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 409172614 DOQYVAUNWVBUIR-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 409176033 XHKAZUBFILLHBY-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(N2CCCCC2)c(F)c1 1435829 YLLGMROMQDTEIR-SSDVNMTOSA-N 427.444 1.824 50 40 IDGB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 8992608 CTOVHLTUGSVXAY-GRRFOWRYSA-N 446.441 1.295 50 40 IDGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(I)o1 9305743 RIBCCSUTYQCAFQ-UFWORHAWSA-N 441.225 1.838 50 40 IDGB CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9849491 JVOCQGYNZBMLNT-UHFFFAOYSA-N 441.507 1.782 50 40 IDGB O=C(CCC(=O)NNC(=O)c1ccc(-c2ccccc2)o1)NCCCN1CCOCC1 199429642 DJROXUFFQDLSCW-UHFFFAOYSA-N 428.489 1.326 50 40 IDGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccco2)c(OC)c1 408922923 HRLGQELUWVETEF-IBUCALKDSA-N 442.428 1.618 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 409155233 CPBRQAXIZXYVPQ-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccncc3)nnn2-c2nonc2N)cc1 9109292 CRUBKORXSAPVGV-FSJBWODESA-N 433.432 1.847 50 40 IDGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc(O)c1 13595899 OADXCVXKOQJOOC-XLNRJJMWSA-N 430.530 1.547 50 40 IDGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C2/CCc3ccccc32)nnn1-c1nonc1N 25782276 QDGHLYYSHPFCPS-SXNXEAAASA-N 435.492 1.687 50 40 IDGB COc1ccc(C(=O)NNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1OC 26960691 WRXCBQAWAIEFEX-UHFFFAOYSA-N 426.429 1.230 50 40 IDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 58873065 OBVKYOPKEWIDQC-QQXSKIMKSA-N 440.500 1.375 50 40 IDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)c1C 408925090 JBDPSVYWGLUEEQ-SSDVNMTOSA-N 432.502 1.084 50 40 IDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)CC2=O)cc1 12808617 GHZGUWPLPZQUES-AUUYWEPGSA-N 425.441 1.426 50 40 IDGB COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 15218591 WEOWOKCRLOCXDE-HZHRSRAPSA-N 426.473 1.511 50 40 IDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 26679437 RVGWAYYQJSXUGV-UHFFFAOYSA-N 431.408 1.170 50 40 IDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN3CCOCC3)cc2)cc1 28214355 JWEWQRPEYVACLZ-OEAKJJBVSA-N 426.473 1.495 50 40 IDGB COc1ccc(CCN2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1OC 38168214 MVNAAMGYLJHVMU-QINSGFPZSA-N 439.428 1.379 50 40 IDGB O=C(COc1ccc(Cl)cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408742627 WYDSJPTYEVCINI-LKKXKRCMSA-N 430.873 1.885 50 40 IDGB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1ccc(Br)cc1)C2=O 3419399 ZXPBOVROVPLHLV-ADLMAVQZSA-N 437.294 1.711 50 40 IDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 408767101 VRKJJALXDJMBCR-RKQRPNFGSA-N 425.426 1.683 50 40 IDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 409207494 VFLXYNZGNKYVGC-TVNWYLLRSA-N 443.500 1.525 50 40 IDGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2618312 ULHJHZRCJYDLRA-SAPNQHFASA-N 445.497 1.637 50 40 IDGB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1ccc(Br)cc1)C2=O 3419402 ZXPBOVROVPLHLV-VOJFVSQTSA-N 437.294 1.711 50 40 IDGB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1cccs1 9257243 KSLKDLHOFPOICE-UHFFFAOYSA-N 430.269 1.789 50 40 IDGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 40128089 NHBKKFVAMJTVIB-MRXNPFEDSA-N 428.420 1.976 50 40 IDGB O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)C12CC3CC(CC(C3)C1)C2 8443744 YALXYFAUXMMEAF-UHFFFAOYSA-N 442.564 1.809 50 40 IDGB COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)cc(OC)c1OC 8652652 JTTWEYAGOZYCCI-MRXNPFEDSA-N 427.457 1.665 50 40 IDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccc(Br)cc1 12867047 AEJGMUDPSJHMHC-UHFFFAOYSA-N 445.273 1.845 50 40 IDGB O=C(NNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1ccc2ccccc2n1 32933176 DFLQCZFNTNZZHN-OXQOHEQNSA-N 436.443 1.339 50 40 IDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccccc1OC(F)F 40160769 ZLWHSNMKMJZXEB-NSHDSACASA-N 425.363 1.772 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 3112322 ZZKXLWUPHQECGA-XDHOZWIPSA-N 436.446 1.431 50 40 IDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12995462 BRBBXUSHTCDQET-SFHVURJKSA-N 431.470 1.072 50 40 IDGB COc1ccccc1/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13598613 MMFQAAXXSGVZNU-JCMHNJIXSA-N 430.530 1.460 50 40 IDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2Cl)cc1C 17199460 XMCGCFAMUGENDU-UHFFFAOYSA-N 439.921 1.852 50 40 IDGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C(N)=O)[C@@H]1c1ccccc1F 989361 ZDEHYROCIDEIFZ-VHEJECIDSA-N 436.443 1.101 50 40 IDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3247857 MNPLFNOFDCZDFL-KGENOOAVSA-N 430.486 1.430 50 40 IDGB Cc1ccc(C(=O)NCC(=O)NNC(=O)CSc2nnnn2-c2ccccc2C)s1 9508791 JPYPCUBSYQGWOW-UHFFFAOYSA-N 445.530 1.010 50 40 IDGB CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3cccnc3)nnn2-c2nonc2N)c1 13811242 MWZJEOWPSWJAGZ-FSJBWODESA-N 433.432 1.847 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408613339 ZDIPJGUKMLXDMX-FSJBWODESA-N 428.445 1.308 50 40 IDGB COc1cc(C(=O)N/N=C/c2cccc(OCc3c(C)no[n+]3[O-])c2)cc(OC)c1OC 3202848 CPZFTBIAENXYFZ-SSDVNMTOSA-N 442.428 1.985 50 40 IDGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)(C)C)=C1C 6461723 SMQMFVCVCZPNII-JOCHJYFZSA-N 425.441 1.642 50 40 IDGB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NNC(=O)c1ccccc1 12891106 WVHBQMCHTMNRAU-GOSISDBHSA-N 433.411 1.724 50 40 IDGB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H](C)Oc3ccccc3F)C2=O)cc1 23805760 UURVCHJSQBPSGR-RCDICMHDSA-N 442.447 1.516 50 40 IDGB O=C(NNC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1)c1ccc(Br)cc1 66089349 QMMURLCBRPKKHS-UHFFFAOYSA-N 435.194 1.665 50 40 IDGB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1ccc(Br)cc1)C2=O 3419403 ZXPBOVROVPLHLV-ZMZPIMSZSA-N 437.294 1.711 50 40 IDGB Cc1ccccc1[C@H](C#N)/C(=N/NC(=O)C(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 17191847 JWSMOVJRBZKVIQ-NUBAVDDGSA-N 446.389 1.722 50 40 IDGB COCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 17995505 VRURVKUCJHMZNU-CLTATDAWSA-N 425.489 1.286 50 40 IDGB C/C(=N\NC(=O)Cn1c2c(s/c1=N\C(=O)c1ccc(C#N)cc1)CCCC2)C(=O)O 101647131 PZBZWHSRYYBENA-LDYSMASRSA-N 425.470 1.618 50 40 IDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccc(C)cc3)CC2=O)c(OC)c1 14246708 UUDAFIKGXXALRD-OAHLLOKOSA-N 427.457 1.592 50 40 IDGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 25424675 YIVCXMQDXBEWSD-NSHDSACASA-N 429.816 1.329 50 40 IDGB COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)c1 40143548 JJEJZOFYPLXYHN-UHFFFAOYSA-N 425.470 1.969 50 40 IDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCN(C(=O)c2ccc(F)cc2)CC1 9882979 WCOAJVFSGOUIEV-IBGZPJMESA-N 427.432 1.665 50 40 IDGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccc(Cl)cc1 408732087 RTYDXZLDLANSTK-CNHKJKLMSA-N 433.837 1.338 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 20213890 CJOAPOUIRKCROT-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409158121 XSSHIMFXHPAFGS-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1Cl 409159039 PVKYYWKDINGOPZ-YDZHTSKRSA-N 444.875 1.666 50 40 IDGB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1O 2590585 RGMDBPPRQDYZTR-LCYFTJDESA-N 445.229 1.760 50 40 IDGB CN1CCC(=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)CC1 20214447 FUGJBUZHUDLXIF-UHFFFAOYSA-N 445.501 1.988 50 40 IDGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2)cc1 58873802 CCFYUAHTSZYYTG-ORBAKXMTSA-N 438.484 1.758 50 40 IDGB COc1ccc([C@H](CNC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)N2CCCC2)cc1 575425065 XKJDBOKIHYANPQ-ZACQAIPSSA-N 432.011 1.701 50 40 IDGB O=C(N[C@H](C(=O)N/N=C/c1cccnc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065063 MLRCHYDFAHBEAT-LEEXQRRLSA-N 426.436 1.940 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 13648113 ANKUCGXZAXKRCL-XTAZXNQFSA-N 425.489 1.368 50 40 IDGB CCOC(=O)C(=N/O)/C(C)=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 13805641 KPZCSIYFGPAZGF-GNRRCFQUSA-N 438.462 1.237 50 40 IDGB COc1cccc(/C=c2\sc(=O)n3c2=C(C#N)[C@H](c2cccc(OC)c2)C(C#N)=C3N)c1 13942891 LJDZEIWYYNDBMN-PKZJLGKPSA-N 442.500 1.878 50 40 IDGB NNC(=O)C1=NO[C@H]2COC3(CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)OC[C@H]12 20218872 ZEIUGERMORURLX-JQWIXIFHSA-N 449.817 1.458 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(F)cc1 409251512 QWGWNUSSBRBGOH-WYMPLXKRSA-N 442.447 1.971 50 40 IDGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 12747298 RZGWGMRLBUHVME-UHFFFAOYSA-N 443.275 1.852 50 40 IDGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1ccc(Br)cc1 16740566 DXCVKTOWYHFLNW-RQZCQDPDSA-N 426.296 1.666 50 40 IDGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccc2c(c1)n(C)c(=O)n2C 102431908 YYZHTRFWYBVTBX-ZIHVZMLCSA-N 427.530 1.772 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 3296989 JISJNALIZZOJLT-UHFFFAOYSA-N 445.419 1.975 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1CN1CCCCCC1 3663986 UPQAZGMKMNCNLO-SRZZPIQSSA-N 425.453 1.078 50 40 IDGB O=C(N[C@H](C(=O)N/N=C/c1ccccn1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065327 JTGOJRKVDVQIFT-LEEXQRRLSA-N 426.436 1.940 50 40 IDGB Cn1c(SCC(=O)NNC(=O)c2cccc(O)c2)nc2sc3c(c2c1=O)CCC3 12498418 BQUZGPYAGDEAAF-UHFFFAOYSA-N 430.511 1.743 50 40 IDGB COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1OC 15945974 VAJVYDACNFHSTK-YBFXNURJSA-N 436.446 1.528 50 40 IDGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409161994 YHCXJRLKUAECKW-WGOQTCKBSA-N 442.491 1.693 50 40 IDGB Cc1csc(=O)n1CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 9487079 YRTYJJZJARLTDV-UHFFFAOYSA-N 442.291 1.375 50 40 IDGB CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59461526 YKVNKOLNIHTRGW-FLFQWRMESA-N 437.456 1.873 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2ccc3c(c2)CCC3)cc1 9509315 NFWCLMFIAVXEGY-UHFFFAOYSA-N 431.514 1.331 50 40 IDGB CCOc1c(I)cc(/C=N/NC(=O)C2(C)OCCO2)cc1OC 408727538 SYNOTMDROARDNO-RQZCQDPDSA-N 434.230 1.912 50 40 IDGB Cc1nc(C)c(C(=O)NNC(=O)c2ccccc2)cc1C(=O)NNC(=O)c1ccccc1 1636129 FAVNNTAFEBYTHV-UHFFFAOYSA-N 431.452 1.848 50 40 IDGB N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1ccco1 5536900 UNJRKQHMCCKMSG-IIRJJKLZSA-N 442.493 1.185 50 40 IDGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)c1C 409163659 VQYPFUBZPGHFJL-ZVHZXABRSA-N 438.484 1.630 50 40 IDGB CS(=O)(=O)c1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1[N+](=O)[O-] 2656639 CATRLPDDBFPARG-UHFFFAOYSA-N 442.409 1.997 50 40 IDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(OC)c2OC)CC1 59434049 ROSJODVKCSUBDU-HZHRSRAPSA-N 426.473 1.511 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccc(F)cc1 408681338 IXZUQRYFFYKVCT-BXLNKUBBSA-N 443.258 1.773 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 409165495 YREFUURXIKNVOJ-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 9982419 LEVJHVRKCMIXNY-NRMKIYEFSA-N 425.441 1.218 50 40 IDGB COC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2ccccc21 13596896 YJXSFAFJGVQUEZ-ZBJSNUHESA-N 426.385 1.322 50 40 IDGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 33337449 XPDWNCFRHKGLMP-WSVATBPTSA-N 434.674 1.348 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OCC)c1 409150808 FAUSHTWGGAECJN-DHRITJCHSA-N 442.447 1.994 50 40 IDGB O=C(NNC(=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 3231451 GKCLWZDCXWJUOL-UHFFFAOYSA-N 425.232 1.999 50 40 IDGB CCOc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC 14241286 GNCHKSDPQGEYMA-UHFFFAOYSA-N 447.513 1.953 50 40 IDGB CCC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 14251676 NCUAPRJOHHHQBV-UHFFFAOYSA-N 433.486 1.370 50 40 IDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58882183 KRXJHAZEWGDYDU-SRZZPIQSSA-N 427.417 1.587 50 40 IDGB IC[C@@H]1OCO[C@H]2[C@H](CI)OCO[C@@H]12 5732438 WTYFFALQRFEFDO-XAMCCFCMSA-N 425.988 1.339 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21 2209796 WUYHPYGNHNKGGF-PLRJNAJWSA-N 442.859 1.500 50 40 IDGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCC[C@H](C(=O)OCC)C2)nc2c(C)cccn2c1=O 9075689 WMLMFFDANDZUIM-NAVNFMRLSA-N 449.511 1.992 50 40 IDGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 9805752 HJOUXCBZMOKKMY-UHFFFAOYSA-N 431.246 1.737 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc(OC)c1OC 20207902 NNXKAEXYSSFGQI-CIAFOILYSA-N 435.502 1.937 50 40 IDGB CCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)c2ccccc2c1=O 12973607 MEIGXIBRVMJVAA-UHFFFAOYSA-N 430.486 1.829 50 40 IDGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(C)(=O)=O 20208829 BPQZFVCESCQHCW-LPYMAVHISA-N 447.513 1.717 50 40 IDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 408767100 VRKJJALXDJMBCR-ANQVYJHKSA-N 425.426 1.683 50 40 IDGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 1813403 MQASXGNDLOBHFA-UHFFFAOYSA-N 445.273 1.725 50 40 IDGB C[C@H](OC(=O)CI)[C@@H](C)OC(=O)CI 4792321 GYSXLHFQIXJLIN-OLQVQODUSA-N 425.988 1.720 50 40 IDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O 20212275 WSTUCSMTDWSIAT-LPYMAVHISA-N 430.486 1.822 50 40 IDGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409018974 ZSHWZOUPLKMCNA-IWIPYMOSSA-N 440.500 1.519 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cccc(OC)c1 409162963 KBHWYESITYYESE-FSJBWODESA-N 428.445 1.308 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)N1CCCC1 409253861 HBCGNXMVFIJLFT-ZVHZXABRSA-N 448.520 1.078 50 40 IDGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 8993380 BLQDODBRNMPJKB-FMNVXAMXSA-N 443.481 1.555 50 40 IDGB CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)CC1 13648250 OWHHEFRWOOGNDG-LVZFUZTISA-N 442.523 1.712 50 40 IDGB CC(=O)NNc1nc(C)c(C(/C=C/c2cccc([N+](=O)[O-])c2)=N/NC(=S)NN)s1 16958131 FDKQKUSMOURFJK-XKVYGDKHSA-N 434.507 1.578 50 40 IDGB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)c1ccccc1O 17526325 MHUKHMIQDLMKQW-JTQLQIEISA-N 442.291 1.283 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 409169955 RKZYKOVVUIZMCR-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1ccc(Br)s1 9885534 BJIRQFMUBUKLII-UHFFFAOYSA-N 438.350 1.702 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OCC)c1 409170138 UGMCDEDEVBQUMP-CVKSISIWSA-N 440.500 1.757 50 40 IDGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 26634526 WOUWNECVDGXVJL-CYBMUJFWSA-N 434.290 1.723 50 40 IDGB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)NNC(=O)c1cccs1 49581186 NFDCQFJKPQXKPT-UHFFFAOYSA-N 437.499 1.283 50 40 IDGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408782699 YMHXVXCIHLAEJI-KSEXSDGBSA-N 447.879 1.553 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1-c1ccc([N+](=O)[O-])cc1 1869173 MKFXVCIOGQDIJU-ZVBGSRNCSA-N 437.351 1.711 50 40 IDGB O=C(CNC(=O)c1ccccc1F)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9507763 YSKBBPZTSBUPOE-UHFFFAOYSA-N 437.353 1.772 50 40 IDGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40086964 VUIYWHZHNXFKAC-ZDUSSCGKSA-N 431.470 1.912 50 40 IDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 100572021 RGBJCXZWFHTIKO-AWEZNQCLSA-N 433.218 1.924 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c1 408780278 AOALJWPSGSONOQ-RGVLZGJSSA-N 435.458 1.318 50 40 IDGB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NNC(=O)c1ccncc1 9360364 VFHICBHVCYHPMA-UKTHLTGXSA-N 430.218 1.245 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] 108249288 DYFWPWHEQYMRMS-MOSHPQCFSA-N 434.474 1.558 50 40 IDGB CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 9368737 HNHMYDUXRUOVCJ-FSJBWODESA-N 427.486 1.298 50 40 IDGB COc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9960637 AOHBKAGUATUHIG-JLHYYAGUSA-N 429.498 1.954 50 40 IDGB COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)Cn1nc(C)cc1C 12848442 UYHRPQOPOZJJQD-UHFFFAOYSA-N 445.295 1.059 50 40 IDGB Cn1c(=O)c2c(nc(NNC(=O)c3ccccc3)n2C/C=C/c2ccccc2)n(C)c1=O 57830570 LDIWSXCLFGMTJO-FMIVXFBMSA-N 430.468 1.904 50 40 IDGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C 2349468 IHXISQHIBNGING-LSHDLFTRSA-N 435.448 1.220 50 40 IDGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 3085576 IEBHAPUCTUXLOL-DJKKODMXSA-N 432.345 1.966 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20208634 HBXIUWNSGCCJLB-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 22698342 IHQPMLUQXBPQKC-INIZCTEOSA-N 429.502 1.565 50 40 IDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(C)(=O)=O 408772525 MLDXGOLWWMZGBR-CIAFOILYSA-N 435.502 1.937 50 40 IDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)s1 9497599 YMZGYSUDWBXNFP-IFRROFPPSA-N 438.429 1.762 50 40 IDGB CCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 39977910 ADDMHWUEBBURCX-UHFFFAOYSA-N 440.456 1.825 50 40 IDGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 72411030 UDZJSOGCEGOWNH-QFIPXVFZSA-N 431.383 1.534 50 40 IDGB COc1ccc(OC)c(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 102725971 XAYNKHBVCDNJPN-BVTUPMQUSA-N 431.470 1.396 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211613 DDWZBLXZEMHLOS-SRZZPIQSSA-N 437.449 1.294 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 409388151 UMZSRRMAAAUECC-QHYAIYAISA-N 449.463 1.673 50 40 IDGB CCCc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N 1891278 GMAKZFODSXKBMH-SRZZPIQSSA-N 427.469 1.501 50 40 IDGB N#C/C(=C/c1cc(I)cc(I)c1O)C(N)=O 4972617 GBSHGOXFJKLHRU-BHQIHCQQSA-N 439.978 1.994 50 40 IDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C1/CC(=O)c2ccccc21 103453238 CEOFRDXBQIKDMU-ATJXCDBQSA-N 441.509 1.747 50 40 IDGB COC(=O)c1ccccc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 103519242 RXVVZVUKDKMTOA-RKPNYOAGSA-N 429.454 1.165 50 40 IDGB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1ccccc1-n1cccc1 9666140 GUDHMACDOXHBBN-UHFFFAOYSA-N 437.481 1.367 50 40 IDGB CC(C)OC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccnc1 39400745 LSGFNHYFWSROMK-JIARHERNSA-N 445.504 1.079 50 40 IDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2OC)cc1 409170403 VFWAIHCOHQJWHM-FSJBWODESA-N 442.472 1.696 50 40 IDGB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NNC(=O)[C@H]1COc2ccccc2O1 3351856 QVLTUCDJIYHZCN-HXUWFJFHSA-N 436.420 1.648 50 40 IDGB COc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)cc1 6924800 AITWDRFVZDFLPA-UHFFFAOYSA-N 444.473 1.241 50 40 IDGB CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O 10788214 TXIAOEYBEIMGFR-SFHVURJKSA-N 437.452 1.702 50 40 IDGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1C 12937096 SABBGAIJWUUXPD-UHFFFAOYSA-N 431.268 1.936 50 40 IDGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(OC(=O)c2ccccc2)cc1 25783168 BDIDBNFBZYZYMX-FSJBWODESA-N 446.427 1.914 50 40 IDGB CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284085 ZNCKGBFLXBWRRL-QRWLVFNGSA-N 433.530 1.844 50 40 IDGB COc1cc(C(=O)NN[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 100097132 WZOWMSHSSKOAFP-AWEZNQCLSA-N 444.400 1.187 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc2c1=O 12913736 CHHCHLLPRKNWFH-QGZVFWFLSA-N 447.495 1.616 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 105729452 UMZSRRMAAAUECC-CWMLTSOLSA-N 449.463 1.673 50 40 IDGB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 14252802 BSIKOGZKLUDQIS-UHFFFAOYSA-N 440.909 1.807 50 40 IDGB COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCC(=O)NCc1ccccc1 408606976 BIEPOPACONHAFE-VULFUBBASA-N 440.500 1.613 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1OC 408786883 OWXGGSNFTCMKKK-RGVLZGJSSA-N 435.458 1.318 50 40 IDGB COc1ccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 857175 JJPRMHFYJOXQNT-INIZCTEOSA-N 448.273 1.789 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1384021 HHRZYOKMVXVCBW-UHFFFAOYSA-N 441.506 1.236 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21 1307943 SYVZDUBNUUYLKN-PLRJNAJWSA-N 442.859 1.500 50 40 IDGB O=C(COc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(Br)s1 12734709 DUWYFCADCSCODJ-UHFFFAOYSA-N 436.265 1.807 50 40 IDGB O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(NC(=O)C2CC2)cc1 12912650 FHFBMHPNEASICJ-UHFFFAOYSA-N 431.452 1.766 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)NCc1ccccc1 58873918 BRMGZKNOOGMNEF-LQKURTRISA-N 445.479 1.543 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 9384269 GNYGNFGWSPLACP-KRWDZBQOSA-N 447.875 1.920 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 19953789 QDKCRHVDGJLEEP-HADWXUJASA-N 433.486 1.787 50 40 IDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)NC[C@H]1CCCO1 58873124 SSMJUUCFOCAHHP-PUDRWSQFSA-N 444.532 1.650 50 40 IDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 3232591 GUAVQOKJVWGKOA-CPNJWEJPSA-N 436.446 1.292 50 40 IDGB O=C(N[C@H](Cc1ccccc1)C(=O)NNS(=O)(=O)c1cn[nH]c1)OCc1ccccc1 72311784 OKSHYKBCHWPBPP-GOSISDBHSA-N 443.485 1.257 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408657366 JPXZUPCDHXKWGZ-KDURUIRLSA-N 447.447 1.760 50 40 IDGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1 409164665 LSJFIDNHLROHBH-MFKUBSTISA-N 440.500 1.869 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc2c(cc1Br)OCO2 1106607 YKDHXMXLSZVZRL-UFWORHAWSA-N 429.234 1.982 50 40 IDGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)COc2cccc(F)c2)cc1[N+](=O)[O-] 3399957 XTVXXZVEDBUNRT-UHFFFAOYSA-N 446.420 1.854 50 40 IDGB CCOc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 8398975 OWUTYXSTMSUPAJ-UHFFFAOYSA-N 436.446 1.722 50 40 IDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 9442890 IXBHGNFDJRNQGN-NSHDSACASA-N 447.542 1.796 50 40 IDGB C[C@@H](NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9508068 VXHXACSNCAZKLL-OAHLLOKOSA-N 448.570 1.578 50 40 IDGB Cc1nn(C)c2sc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cc12 10414650 LRQIQLGOPOJGRY-UHFFFAOYSA-N 427.895 1.319 50 40 IDGB CCOc1c(Br)cc(C(=O)NNC(=O)C2CCN(C(C)=O)CC2)cc1OC 12971831 NMUMAHPZRGQROY-UHFFFAOYSA-N 442.310 1.876 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)NC[C@@H]1CCCO1 58873476 YSTYXMPYARGRQR-BBMHEYIBSA-N 430.505 1.260 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)NCc1ccccc1 58873809 CGUGUEFSXLOMIM-RAQUAXEKSA-N 438.484 1.127 50 40 IDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 408762718 KZDJSTUMXUEGNA-ANQVYJHKSA-N 425.426 1.683 50 40 IDGB NC(=O)C(=O)N/N=C1/c2ccccc2C[C@@H]1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 16953197 AMYBEIWLALUSRY-LEXBMCNQSA-N 433.251 1.311 50 40 IDGB CNC(=O)NNC(=O)CCCc1nnc(-c2ccccc2I)o1 65118514 WNQFJNJZDSBEAY-UHFFFAOYSA-N 429.218 1.624 50 40 IDGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1Cl 409344002 FCUNFEVVZZISCQ-RELWKKBWSA-N 434.905 1.911 50 40 IDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1[N+](=O)[O-] 12904651 UAMXBYXGCPJSAY-UHFFFAOYSA-N 433.240 1.328 50 40 IDGB CS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1 28289424 ADINBADAUZYEBR-UHFFFAOYSA-N 433.671 1.371 50 40 IDGB O=C(COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1 408666302 YCFMIPAHDIVTPH-UHFFFAOYSA-N 448.819 1.971 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1 1826066 LSUURGVKMPHCMF-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1 19953668 IZYMMEIDXSYHGO-CNRHGSOZSA-N 433.486 1.925 50 40 IDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 408786775 WACQJFUNRZCULR-OEAKJJBVSA-N 426.473 1.495 50 40 IDGB O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccncc1 12501553 UVCREJAMMPETGP-UHFFFAOYSA-N 426.239 1.636 50 40 IDGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl 96492118 NVJPHDKACRSSIZ-ZMIRMIHTSA-N 426.882 1.086 50 40 IDGB CN1C(=O)/C(=N\NC(=O)C(=O)Nc2cccc(C(=O)O)c2)c2cc(Br)ccc21 1955787 NIWFAOLFNMSDQP-STZFKDTASA-N 445.229 1.583 50 40 IDGB CCn1nc(C(=O)NNC(=O)CC[C@H]2Cc3ccccc3NC2=O)c2ccccc2c1=O 14221539 XJHPWMHSQGNQDJ-HNNXBMFYSA-N 433.468 1.769 50 40 IDGB C=CCOc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 409144486 LIMFJDDGFQNLNW-FYJGNVAPSA-N 433.486 1.697 50 40 IDGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CNC(C)=O 104044836 IJEGJZKBIJEHCV-KRWDZBQOSA-N 432.348 1.697 50 40 IDGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(C)=O)cc3)C2=O)cc1 408533508 JXCABWJGFMHGGO-ZTBJCTOSSA-N 437.412 1.268 50 40 IDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 9183590 WECCNIHGXSGOOZ-QQTULTPQSA-N 442.859 1.039 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 9508359 DDVASTJULJFNRF-UHFFFAOYSA-N 426.498 1.933 50 40 IDGB CC(C)n1nc(C(=O)NNC(=O)[C@H]2CCCN2C2CCOCC2)c2ccccc2c1=O 95427638 OQGNOPKXFIVTGG-GOSISDBHSA-N 427.505 1.382 50 40 IDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)ccc1O 1802430 OTGLNVYJSQXIRK-LSHDLFTRSA-N 434.416 1.686 50 40 IDGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)O 2134668 LOQIYBGHABYQNB-UHFFFAOYSA-N 438.072 1.911 50 40 IDGB COc1ccc([C@H](CNC(=O)NNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1OC 32801830 ZVZBSXYIQXBKBP-SFHVURJKSA-N 446.479 1.860 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OCC)c1 409150189 AGKWNKTZUOQABI-AFUMVMLFSA-N 426.473 1.367 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)ccc1O 408773672 WINLOMNABWDVFP-RGVLZGJSSA-N 437.474 1.334 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1-c1cccs1 1873204 MEJHUZMDFHPEOY-QGMBQPNBSA-N 425.390 1.633 50 40 IDGB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)s1 408677588 AYWNXIOWUJHDQF-UHFFFAOYSA-N 425.854 1.223 50 40 IDGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1 409154959 PNQHADBPCPJOPM-ZVHZXABRSA-N 426.473 1.479 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33768242 XQFNAOGYFPLAII-MIVHDCIWSA-N 435.436 1.744 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccccc1 408688727 XEKPIPIDTPYCJI-IHXMYUSMSA-N 425.268 1.634 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 3770078 TZPICPXDSQKSSS-GDBMZVCRSA-N 443.481 1.768 50 40 IDGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 12885354 YQNXZXADUYLODS-HNNXBMFYSA-N 425.441 1.346 50 40 IDGB O=C(COC(=O)/C=C/c1ccc2c(c1)OCCO2)NNC(=O)COc1ccc(Cl)cc1 14075633 IPHAAOVMKALWPI-KRXBUXKQSA-N 446.843 1.894 50 40 IDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 25437778 PAXBIRJMVKMAPR-GTJPDFRWSA-N 446.410 1.347 50 40 IDGB Cc1c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(=O)n(-c2ccccc2)n1C 408688247 QGKSGEXCNKGGNG-LFTXJNCRSA-N 446.301 1.994 50 40 IDGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 409314940 UKRHDWCPRJWREL-JKSUJKDBSA-N 429.498 1.840 50 40 IDGB N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1ccco1 5536896 UNJRKQHMCCKMSG-WYBRCYBYSA-N 442.493 1.185 50 40 IDGB Cc1cc(C)cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 28580977 OSDSEVSDRPAMCS-UHFFFAOYSA-N 445.541 1.718 50 40 IDGB COc1ccc(N([C@H](C)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1 409328689 ZVYHEINXBOXPCR-WMOYVWFSSA-N 430.486 1.347 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1CN1CCc2ccccc21 1252784 REEHJYHZRBNYAP-BHGWPJFGSA-N 447.434 1.698 50 40 IDGB O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 11660066 WEAGPHZCEAXKNA-INIZCTEOSA-N 431.470 1.072 50 40 IDGB Cn1c(CC(=O)NNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)nc2ccccc21 9910510 LULUUMKIQKCFSQ-GOSISDBHSA-N 445.479 1.898 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408660258 NGJDXLJNCOIKQB-ZMPPFODHSA-N 447.875 1.064 50 40 IDGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 409262663 INCHQYZGXMKJHT-HUHXJTTESA-N 438.484 1.758 50 40 IDGB COc1ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1O 31670088 QLLCWEOFRADYOG-SEKXJNOLSA-N 428.445 1.886 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C[C@@H](NC(C)=O)c1ccccc1 9384271 GNYGNFGWSPLACP-QGZVFWFLSA-N 447.875 1.920 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 9442356 JPVPLFXTRDGPSB-HNNXBMFYSA-N 430.486 1.102 50 40 IDGB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NNC(=O)c1cccs1 9980522 ZMNZHEWDLHQPRG-UHFFFAOYSA-N 434.430 1.111 50 40 IDGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12362374 AMUDSLDSRYKNAI-SSDVNMTOSA-N 442.388 1.665 50 40 IDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409151142 AHDXWVDCFIWDTB-OEAKJJBVSA-N 440.456 1.022 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409159435 ZZIDTRWUNZDUSV-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB COc1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1S(=O)(=O)N1CCCC[C@@H]1C 103072676 DFMKLJZYNRJILR-YXNALHSASA-N 435.502 1.740 50 40 IDGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408771691 AWEVZCDAWLUZPC-QFEZKATASA-N 447.451 1.932 50 40 IDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1C 9329230 URPVKSCXZUKQNO-ZVHZXABRSA-N 438.484 1.630 50 40 IDGB CCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 14246904 OPXSFHICCUOGMO-UHFFFAOYSA-N 444.469 1.201 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)NCc1ccccc1 409156877 PHCIPVOWECTKLP-AFUMVMLFSA-N 440.500 1.755 50 40 IDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)c(C)c1 409185896 SESQHAHJAHUJMO-SSDVNMTOSA-N 432.502 1.084 50 40 IDGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 2402588 FELZDJDWDJQEDD-FSJBWODESA-N 447.459 1.641 50 40 IDGB CC(=O)NNc1nc(C)c(C(/C=C/c2cccc([N+](=O)[O-])c2)=N\NC(=S)NN)s1 17215511 FDKQKUSMOURFJK-MHCTUJFUSA-N 434.507 1.578 50 40 IDGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)c(OC)c3)c(C)c(C#N)c2=O)cc1 409061208 BXGUXOJPHSVOGR-MSXFZWOLSA-N 433.424 1.899 50 40 IDGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/NC(=O)C[C@@H](N)C(=O)O 4823969 XVOGZNZTINJLKO-FZTAQKCPSA-N 435.308 1.240 50 40 IDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1 6088400 RBMKGXHILJKYRO-UHFFFAOYSA-N 431.449 1.337 50 40 IDGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2C)cc1OC 8829659 PYJRESUXRAKLFH-UHFFFAOYSA-N 441.513 1.982 50 40 IDGB COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1O 33160877 MUKKLMILFNXJSH-AFPJDJCSSA-N 437.416 1.542 50 40 IDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 100282878 RXYYXYKVWZEPLW-HKOYGPOVSA-N 428.832 1.110 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 409150402 BWHONWFEFZKFFO-FSJBWODESA-N 428.445 1.308 50 40 IDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C 409158008 JPKNXDBAMYCNML-ZVHZXABRSA-N 438.484 1.630 50 40 IDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)NCc1ccccc1 409253671 BPGXYMHTRFLXGC-FOGHPNEFSA-N 438.484 1.127 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c1OC 2375356 XUVPMXKLNKPSEP-FOKLQQMPSA-N 448.443 1.989 50 40 IDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)NCc1ccccc1 409260385 PPZVCRPOXQWVTQ-MOYYISEASA-N 438.484 1.127 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 9075521 LZBDVANWIIYDSN-RHUDWFJBSA-N 439.516 1.676 50 40 IDGB COc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)cc2)C=3C#N)cc1 13739601 YQJQASJBTLOOCV-TUJQNWBVSA-N 442.500 1.878 50 40 IDGB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 408645468 LRWNMPNLSMDJMD-UHFFFAOYSA-N 441.440 1.586 50 40 IDGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409267073 SDJCKWFRCTUKJU-ZVHZXABRSA-N 438.484 1.630 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58873542 XWWBPLTXDZQRPN-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 14290986 NEKWZVFNUJAUAE-LPHOPBHVSA-N 444.463 1.781 50 40 IDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)Cc1nc2ccccc2[nH]1 17588622 CXGSBUYKMBHZHN-UHFFFAOYSA-N 444.289 1.835 50 40 IDGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408883403 ULOFVWZSAUNPOK-QFEZKATASA-N 447.451 1.932 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 409151100 ACXOMMGDJPTHMA-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c2cccs2)cc1 9508714 JFVAVWNLRLGDOZ-AWEZNQCLSA-N 443.572 1.618 50 40 IDGB CCCCCn1nc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)c2ccccc2c1=O 17398157 FKQGBQUDLDFLJW-UHFFFAOYSA-N 449.511 1.707 50 40 IDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1 19955026 VHIROYPRSXAHCT-FYJGNVAPSA-N 433.486 1.788 50 40 IDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCCC3)o2)cc1 408790415 REIVYHPDFXTNAM-BKUYFWCQSA-N 432.502 1.529 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 409159237 ZQEDULCNUVPTMK-FOKLQQMPSA-N 430.436 1.827 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20213791 YPVBAASKNRONFH-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCC(N)=O 19646825 KLCAJRSCXXQXSV-OAHLLOKOSA-N 448.277 1.962 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 409175538 SGNUWELXSPRHNZ-DHRITJCHSA-N 440.500 1.842 50 40 IDGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)c(OCC(=O)O)c1 14921718 FIOQQOLTOBAIFO-ZVBGSRNCSA-N 432.385 1.151 50 40 IDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1OC 409146633 UPNQJQCTEFCVAU-WSDLNYQXSA-N 443.481 1.991 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 409157441 VPZQOWPFTLGZTA-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB CCOC(=O)NN(C(=O)OCC)c1c(N/N=C\c2ccccc2)n(C)c(=O)n(C)c1=O 31717036 ZJXUSMKCVBZTGA-NDENLUEZSA-N 432.437 1.154 50 40 IDGB CC(=O)Nc1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 103518027 LYCCFMLPQJEQMC-VHWUNXFSSA-N 428.470 1.337 50 40 IDGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 409257952 VDBCOMDCQMPDKZ-YBNTXHARSA-N 438.484 1.758 50 40 IDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1CC(=O)OCC 6546068 KOQIYNNXLFCUNL-HSZRJFAPSA-N 435.436 1.256 50 40 IDGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C(C(=O)N(C)C)=C2S1 1408466 SVNIQWFBDFYTOL-OAHLLOKOSA-N 428.445 1.549 50 40 IDGB CC(C)(CCC(=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)SSc1ccccn1 575628818 AOYGNECNMJPGMS-JTQLQIEISA-N 434.517 1.854 50 40 IDGB NNC(=O)C1=NO[C@@H]2COC3(CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)OC[C@H]12 20218871 ZEIUGERMORURLX-CMPLNLGQSA-N 449.817 1.458 50 40 IDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 59960475 UQKHSPKKGKYCFN-IWIPYMOSSA-N 432.521 1.507 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)NNC(=O)c1ccccc1Cl 408670655 XLEWGWZUOQPLPP-UHFFFAOYSA-N 429.816 1.611 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccc(F)cc2)cc1 16046072 MOLWCAVUQUCMCT-UHFFFAOYSA-N 425.507 1.694 50 40 IDGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)cc1 36001167 MNNBIIIWBSHMJA-HAVVHWLPSA-N 432.521 1.981 50 40 IDGB CC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(I)c1 409011395 NEILJJFZKVFGBS-LNKIKWGQSA-N 441.019 1.987 50 40 IDGB NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NN=c2cc[nH]c3cccnc23)cc1 1637756619 ZOIZLQYIYSGSLW-VQFGERMISA-N 430.468 1.298 50 40 IDGB O=C(NCc1ccco1)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49574808 AAXAZKWEIAERHD-QGZVFWFLSA-N 448.479 1.749 50 40 IDGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408689738 ZFFNRPMUFLWDKP-OOLZNYFQSA-N 439.295 1.942 50 40 IDGB C=CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409144645 MDCXCZKBHIDFFA-FYJGNVAPSA-N 433.486 1.697 50 40 IDGB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 12818817 CAFGSRDUFBZJJB-NVXWUHKLSA-N 443.591 1.356 50 40 IDGB Cc1ccc(S(=O)(=O)/C(C#N)=C\NC(=S)N/N=C2\C(=O)Nc3ccccc32)cc1 104303820 JYTWRNZSCXDHSL-KAMYIIQDSA-N 425.495 1.954 50 40 IDGB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 8771596 BBNZOPBJCLHQSW-UHFFFAOYSA-N 441.513 1.755 50 40 IDGB COCCNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408833966 KRNIBZWVTQKKMZ-LCYFTJDESA-N 430.848 1.857 50 40 IDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1 408961656 CZJAKDPYSLLTOV-UFWORHAWSA-N 439.209 1.625 50 40 IDGB O=C(O)CC[C@@H](NC(=O)c1ccc(NC(=O)CI)cc1)C(=O)O 1615718 MEYHTQLMGAWTDS-SNVBAGLBSA-N 434.186 1.108 50 40 IDGB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)Cc1nc2ccccc2n1C 9910925 SVRFWSXEFSUBIR-FQEVSTJZSA-N 425.464 1.857 50 40 IDGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O 10788216 TXIAOEYBEIMGFR-GOSISDBHSA-N 437.452 1.702 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 13001113 ISXVOPGRPWVKBL-UHFFFAOYSA-N 436.852 1.759 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)cc1 13134416 WUYGTVPTELVXFG-UHFFFAOYSA-N 435.477 1.565 50 40 IDGB O=C(NNC(=O)c1ccc2c(c1)CCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 40068987 LPPNSGPYAIFLTR-UHFFFAOYSA-N 429.498 1.871 50 40 IDGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408875434 IUXKWHQBCBPRGJ-YVNNLAQVSA-N 433.852 1.163 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cncc(Br)c2)cc1 15902105 NSJCHCUEJICPGZ-UHFFFAOYSA-N 441.307 1.234 50 40 IDGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)C[C@H](C)O1 36007012 QPHJKXDBNRWZAL-SYVGRHJISA-N 437.500 1.510 50 40 IDGB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 8825461 FPSJPIHHCXMYTJ-SFHVURJKSA-N 442.428 1.354 50 40 IDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N 16267838 NIAPLGQNKBWLSB-QPSGOUHRSA-N 427.373 1.574 50 40 IDGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c1 17199046 BWQNSOLADCDCFD-UHFFFAOYSA-N 444.447 1.827 50 40 IDGB O=C(COC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccccc1)NNC(=O)c1cccs1 12697469 ZHHPNHXSUAMESY-XVJNWHFHSA-N 445.522 1.667 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccccn1 9293369 PXHWLFYVHJEVEG-YDZHTSKRSA-N 432.448 1.418 50 40 IDGB O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1n[nH]c2c1CCCC2 22285000 DAGUODSAPFXQTE-UHFFFAOYSA-N 428.470 1.930 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409155918 JGLPTQDUMFLLES-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB CCn1ncc(NC(=S)NNC(=O)CC23C[C@@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)c1C 102645010 MVBZXXCFSCBXAC-XSYNCLLFSA-N 443.581 1.901 50 40 IDGB CCOC(=O)[C@@H]1NN=C(C(=O)[C@](C)(O)CBr)[C@@H]1c1ccc([N+](=O)[O-])cc1 9411307 QMMFHUORWJAFJZ-NORZTCDRSA-N 428.239 1.284 50 40 IDGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] 408859747 QELLQDQHHISXJK-LPYMAVHISA-N 426.429 1.905 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 409154274 KGKJNXZNZPLNPW-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1 409170518 WBDBAVZDXSIYQI-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB CN1CCC(=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 55190315 RSHTXKAFHOGQRK-UHFFFAOYSA-N 445.501 1.988 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409171221 YTUIDIFZQJRLQM-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 9058780 VLQNZIASLKHEBL-UUYOSTAYSA-N 444.444 1.986 50 40 IDGB CCc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 33928377 VKAIFSISDWPMSD-IIHGDPFSSA-N 437.508 1.933 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409163029 KWBNKWOKZCQTAA-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)cc3O)s2)cc1 1953697 NKMZIMQRINZCND-KEBDBYFISA-N 427.442 1.903 50 40 IDGB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 9750578 YUHSHCIALVRPCI-HNNXBMFYSA-N 447.835 1.073 50 40 IDGB CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)N1CCOCC1 409014130 OZXIQJOEOUYGNU-OEAKJJBVSA-N 427.457 1.792 50 40 IDGB COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 13145300 AFUBFUCJAAWOSU-UHFFFAOYSA-N 447.513 1.953 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59959754 CXAUNJMLAPIVFQ-STPJHCLOSA-N 440.500 1.546 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 408775547 ICYXAUCDSPZUQW-CIAFOILYSA-N 449.485 1.407 50 40 IDGB CN(CC(=O)N/N=C/c1cccc(O)c1)S(=O)(=O)c1ccc(Br)cc1 16187052 YIBLIAAJDDIXFF-VCHYOVAHSA-N 426.292 1.926 50 40 IDGB CCOC(=O)c1cnc(SCC(=O)NNC(=O)COc2ccc(CC)cc2)nc1N 6134926 XVICFEZQRJGTKB-UHFFFAOYSA-N 433.490 1.116 50 40 IDGB CCOC(=O)NN(C(=O)OCC)c1c(N/N=C/c2ccccc2)n(C)c(=O)n(C)c1=O 8628603 ZJXUSMKCVBZTGA-UDWIEESQSA-N 432.437 1.154 50 40 IDGB COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 10042047 NPRZJYWWZVRMLK-VAWYXSNFSA-N 440.525 1.827 50 40 IDGB COc1ccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 100572030 JJPRMHFYJOXQNT-MRXNPFEDSA-N 448.273 1.789 50 40 IDGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408658724 LOZSZAWOZCKXIQ-KDURUIRLSA-N 447.447 1.760 50 40 IDGB N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2204645 UARMNPWMAZWTCH-FOWTUZBSSA-N 446.467 1.213 50 40 IDGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 9451763 FWQMDRNNWHPGRT-HNENSFHCSA-N 431.408 1.878 50 40 IDGB Cc1ccc(CN(Cc2ncc(C(=O)NN)c(N3CCCCC3)n2)S(C)(=O)=O)cc1 223461612 IIBWKVUAZRWLHY-UHFFFAOYSA-N 432.550 1.341 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccccc1 408688525 XEKPIPIDTPYCJI-BXLNKUBBSA-N 425.268 1.634 50 40 IDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(I)cc1 8396655 XFMQVJPWVLPSIO-UHFFFAOYSA-N 447.210 1.823 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1I 8400281 OZBOBTNSBNAZSI-MNOVXSKESA-N 446.241 1.952 50 40 IDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21 13777620 SFPNMKSZQJHJBC-MOHJPFBDSA-N 428.832 1.110 50 40 IDGB CCOC(=O)c1ccccc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 102676019 BLQDODBRNMPJKB-MPMPPSQCSA-N 443.481 1.555 50 40 IDGB CCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 929977 HZNPGWQZDCRMMQ-UHFFFAOYSA-N 428.474 1.623 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8435140 LPYJTFGTDLUICL-FYJGNVAPSA-N 436.432 1.235 50 40 IDGB CN(CC(=O)NNC(=O)c1ccccc1Br)S(=O)(=O)c1cccs1 12787524 HPIGNGOZDMYKSQ-UHFFFAOYSA-N 432.321 1.592 50 40 IDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)OC3)c2ccccc21 20725596 PYPYBVLIXJYSFC-VWLOTQADSA-N 438.443 1.938 50 40 IDGB COc1ccccc1OCC(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109273 FHEQZXCSYMQNRT-UHFFFAOYSA-N 425.416 1.884 50 40 IDGB N#Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 40144216 JNYFOLYPQSDWRJ-UHFFFAOYSA-N 428.470 1.183 50 40 IDGB CCCc1noc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 24716259 GINQKPWERVQTTL-UHFFFAOYSA-N 435.506 1.200 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1)c1cccs1 13382220 FYLLQLDGDBNPBT-UDWIEESQSA-N 429.510 1.824 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)Cc3ccc(F)cc3)C2)s1 30816379 YJFNRYRPKXEJNO-HNNXBMFYSA-N 439.534 1.986 50 40 IDGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OC 2710063 ISCXJPYJGXKFSI-FQEVSTJZSA-N 440.500 1.962 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 19953784 QDKCRHVDGJLEEP-CNRHGSOZSA-N 433.486 1.787 50 40 IDGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)c1C 30020002 QDWFBDCXUUNSSM-ZFWWWQNUSA-N 438.506 1.190 50 40 IDGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCOC)c1 409162219 YNXJJZAHSSSKSP-ZVHZXABRSA-N 426.473 1.479 50 40 IDGB CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCBr 1542984452 NQPCGFYLHACMDX-UHFFFAOYSA-N 444.363 1.989 50 40 IDGB COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 2437331 NDULPHWPXLMVSJ-YMTOWFKASA-N 431.470 1.852 50 40 IDGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)(C)C)=C1C 6237918 SMQMFVCVCZPNII-QFIPXVFZSA-N 425.441 1.642 50 40 IDGB CCc1sc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1C 9376053 NIXJDQINOMFHMA-OAQYLSRUSA-N 426.498 1.773 50 40 IDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccn2C)c1 32721904 KPGCSOPCNRMGLE-UHFFFAOYSA-N 428.470 1.909 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538031 YOHAYIJTYQGLHL-FLHOGNNLSA-N 425.445 1.244 50 40 IDGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)C(C)C)o2)cc1 408785168 YHOVPUZJVGAWMP-FSJBWODESA-N 428.445 1.817 50 40 IDGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)cc1 2277784 CZUMIHQARFISHQ-OOAXWGSJSA-N 435.484 1.066 50 40 IDGB O=C(NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccc([N+](=O)[O-])cc1 16428408 VOSZLZHODGZFHO-UHFFFAOYSA-N 443.468 1.755 50 40 IDGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 16693374 XJAINIIBGKZSRZ-FYJGNVAPSA-N 432.502 1.815 50 40 IDGB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1ccccc1 24929164 KWIFEIZGWRDOCA-KUHUBIRLSA-N 428.514 1.530 50 40 IDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3O)nnn2-c2nonc2N)cc1 1826162 JTYFIGNYSWPHCI-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB COC(=O)CCn1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O 9589026 UYFANVREWVUNAG-UHFFFAOYSA-N 446.510 1.574 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1 15018718 OBXLVORTRCQHOQ-YDZHTSKRSA-N 427.457 1.755 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 19799732 YXRSLMNSLIKJOF-ZVHZXABRSA-N 440.500 1.803 50 40 IDGB N#CC1=C(N)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=C(C(N)=O)[C@H]1c1ccc(F)cc1 102781894 UXYVEPPJKHUJAN-STKCSNAVSA-N 436.443 1.101 50 40 IDGB COc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 408643619 AZMACDYHDHKEGB-AWEZNQCLSA-N 445.859 1.706 50 40 IDGB O=C(Cn1nnc(Cn2cnc(Cl)c2Cl)n1)NNC(=O)c1ccccc1Cl 2153346 QZWWLKWDGIYQQR-UHFFFAOYSA-N 429.655 1.339 50 40 IDGB O=C(NNC(=O)c1csc2c1CCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 12606316 ATBLIZZRUNBVBS-UHFFFAOYSA-N 449.554 1.723 50 40 IDGB N#CC(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)=C1Nc2ccccc2N1 34863249 CKTLBRGWXRMDOB-UHFFFAOYSA-N 448.508 1.706 50 40 IDGB CS(=O)(=O)[C@H]1CC(=O)N(OC(=O)CCCSSc2ccc([N+](=O)[O-])cn2)C1=O 514278361 RIXGLVALRPRFJK-JTQLQIEISA-N 449.488 1.141 50 40 IDGB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NNC(=O)c1cccc(F)c1 9907310 DZISIBLEQXFVLZ-UHFFFAOYSA-N 432.427 1.091 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 16321254 JPKVHEWMFMRENZ-CIAFOILYSA-N 448.501 1.433 50 40 IDGB COc1cc(/C=N/NC(=O)CCc2ccc(O)c(O)c2)ccc1OCCN1CCOCC1 19638223 RHFXJAMBZOFJLE-LFVJCYFKSA-N 443.500 1.900 50 40 IDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409018174 YAMSSVJPQWZXJE-XKZIYDEJSA-N 442.428 1.362 50 40 IDGB O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1n[nH]c(=O)c2ccccc12 40160244 SUZXOGLOSRERHP-UHFFFAOYSA-N 440.416 1.666 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408905995 BWVFRRXYWLUBDY-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB Cc1cc(C(=O)NNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c(C)o1 9520290 XXWYRMJFCUUHJG-UHFFFAOYSA-N 447.517 1.427 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)c(OC)c1 408768554 HBPHPQMCFXKIAR-CIAFOILYSA-N 449.485 1.545 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408805012 IKXPRHSJTSVWON-WUXMJOGZSA-N 427.251 1.981 50 40 IDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)CNC(=O)COc3ccc(Cl)cc3)ccc21 2163138 QNKHCBURNJEGDR-AUEPDCJTSA-N 429.864 1.176 50 40 IDGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2240344 ZIORUIIQWCWKEI-UQQQWYQISA-N 448.266 1.076 50 40 IDGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 8884389 SLDVQLWWHJPFLZ-UHFFFAOYSA-N 445.906 1.270 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 409166222 CDXWHBDXABQZKL-DHRITJCHSA-N 440.500 1.842 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58873529 BASAMBCMMJCKJQ-ZMOGYAJESA-N 430.436 1.446 50 40 IDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2c(OC)cccc2OC)cc1OC 408971108 MENIVYGFKRYGCE-ZVHZXABRSA-N 429.473 1.920 50 40 IDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)NCc1ccccc1 409248259 DDDKZROUNJNWHA-VULFUBBASA-N 434.452 1.741 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3cc(F)ccc3F)nnn2-c2nonc2N)c1 13804450 UWGVXDXPWMEIOI-NUGSKGIGSA-N 440.370 1.950 50 40 IDGB COCCCNC(=O)/C(C#N)=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408862393 FPFDGHNPIHLTHB-BJMVGYQFSA-N 431.186 1.965 50 40 IDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C)no2)c1 9203929 HKYUREFNFICIIV-UHFFFAOYSA-N 430.442 1.867 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)NC[C@@H]1CCCO1 58881032 QJKHTUXIUTVDGY-BPDXMKQKSA-N 442.447 1.589 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)cc1C 408801578 WAGRLOFRXRWZBH-ROTLSHHCSA-N 441.488 1.374 50 40 IDGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 409314927 UKRHDWCPRJWREL-CVEARBPZSA-N 429.498 1.840 50 40 IDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1OCC 12553956 QBMDXRVZSCTXID-UHFFFAOYSA-N 428.489 1.741 50 40 IDGB O=C(N[C@H](C(=O)NN=Cc1cccnc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13144345 MLRCHYDFAHBEAT-FQEVSTJZSA-N 426.436 1.940 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408609820 LPQVQKXIWZEMLA-ZMOGYAJESA-N 440.456 1.474 50 40 IDGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCC(=O)Nc1ccccc1C 408613014 YHQKVENITHTFKS-FSJBWODESA-N 426.473 1.996 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)NCc1ccccc1 409164530 JVIFUYRPVZHVLS-VULFUBBASA-N 440.500 1.613 50 40 IDGB O=C(NNC(=O)c1nc(N2CCCC2)ncc1Cl)c1nn(-c2ccccc2)cc1O 36396880 OROBRTHSQSWGIN-UHFFFAOYSA-N 427.852 1.696 50 40 IDGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408779973 OXBABMHBMZUJTA-OCKHKDLRSA-N 426.882 1.386 50 40 IDGB Cn1c(CC(=O)NNC(=O)CNC(=O)Cc2cccc3ccccc23)nc2ccccc21 9129916 UTEOBYSEPPKUSX-UHFFFAOYSA-N 429.480 1.775 50 40 IDGB COC(=O)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 39986664 HPRAAFBMNFMOGU-MTJSOVHGSA-N 449.485 1.261 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)NCc1ccccc1 58873953 HKTRYPWPKXMBCO-LQKURTRISA-N 445.479 1.543 50 40 IDGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1 24989537 JJZFFGKYZHNZGN-UHFFFAOYSA-N 445.501 1.437 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)Nc1ccccc1 58873921 AFOYPNWRFRDKSL-CVKSISIWSA-N 431.452 1.866 50 40 IDGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC)c1 409167378 IGTFLMJGICFWSM-MFKUBSTISA-N 440.500 1.869 50 40 IDGB N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)N1CCCCC1 9346196 SNETZNBOXCPTTE-SAPNQHFASA-N 434.500 1.316 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1 409175449 RMTCZRDYFVZCLV-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 3391962 CSGGTIUBLXLQAZ-KUHUBIRLSA-N 425.441 1.426 50 40 IDGB Cc1cccc(NC(=O)[C@@H](C)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 14190723 LTUISBGYFIWFME-MRXNPFEDSA-N 446.529 1.278 50 40 IDGB COc1ccc(OC)c(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(=O)NC2=S)c1 4473885 NBLDIUKZOBNLFP-KAMYIIQDSA-N 426.454 1.270 50 40 IDGB O=C(COC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(Br)cc1 9467118 ZHZMNGYGMGXEII-UHFFFAOYSA-N 435.230 1.838 50 40 IDGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 11838007 OTSYJOJJHFDONC-UHFFFAOYSA-N 435.465 1.203 50 40 IDGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)ccc1OCCN1CCOCC1 12411584 BSCDBKNSPUXXLL-SFHVURJKSA-N 439.472 1.098 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)NCc1ccccc1 58873885 SQSZZBUXDLLCQA-RWPZCVJISA-N 445.479 1.543 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c(OC)c1 408866354 FFQDMWISNMLUTH-CIAFOILYSA-N 449.485 1.391 50 40 IDGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3F)c2=O)=C(C(N)=O)[C@H]1c1ccccc1F 989358 ZDEHYROCIDEIFZ-NDCSFFLDSA-N 436.443 1.101 50 40 IDGB CN(Cc1c(C(=O)N/N=C2\CCc3ccccc32)nnn1-c1nonc1N)c1ccccc1 9309634 NPRSKJZIQCNTPW-JJIBRWJFSA-N 443.471 1.949 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 9368538 OYRWBHCKZYFLOU-FOKLQQMPSA-N 431.445 1.610 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)c1ccccn1 9308358 OHPVGNWIHDPOPH-YDZHTSKRSA-N 438.496 1.546 50 40 IDGB COc1ccc(CCNC(=S)NNC(=O)c2ccccc2SCC(N)=O)cc1OC 12945077 RZHIXWBRCCPECC-UHFFFAOYSA-N 448.570 1.633 50 40 IDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(O)c3)CC2)cc1OC 408971686 PGBFEQMXBWJPHB-HYARGMPZSA-N 447.513 1.960 50 40 IDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21 100282854 PSFASTQZTGDDRV-HKOYGPOVSA-N 428.832 1.110 50 40 IDGB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 10159767 ITJWYSZXSCQDEQ-AWEZNQCLSA-N 429.477 1.986 50 40 IDGB O=C(CCNS(=O)(=O)c1ccccc1Br)NNC(=O)Cc1ccccc1 12821586 IUAZIFWFHNMAHR-UHFFFAOYSA-N 440.319 1.508 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)NCCc1ccccc1 58873775 VFNAUASTGFZQHF-JFLMPSFJSA-N 448.479 1.784 50 40 IDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1 58918757 XTUINPCXISVOKV-HADWXUJASA-N 433.486 1.771 50 40 IDGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1cccc(S(=O)(=O)NCCC(=O)O)c1 13096304 ITQWFIIMQREMBF-CIAFOILYSA-N 449.514 1.232 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 20210069 SJAPYEBVTBYLTN-CIAFOILYSA-N 449.485 1.163 50 40 IDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCC(C)C)cc2)cc1 223151337 QULOPHJZMGCHCV-CFRMEGHHSA-N 426.473 1.935 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCc3ccccc32)c1 15901206 MHNLFGRAQLQXLZ-UHFFFAOYSA-N 444.557 1.931 50 40 IDGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21)c1cccs1 19907227 DPFQYYLWLNRSDZ-IKGRMMEISA-N 441.513 1.646 50 40 IDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 16227657 BIYPUVYWCXJMHH-WSDLNYQXSA-N 430.417 1.430 50 40 IDGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 32576936 YMSKOWXNFAZBRP-IWIPYMOSSA-N 426.517 1.980 50 40 IDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)no1 408673991 WSFCSZDVICZQNC-IMSYWVGJSA-N 449.099 1.844 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409153973 OHTSTKMNVBQJDJ-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 409166334 DBYXHJDNEQWEOC-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC3CCCCC3)o2)cc1 8441608 FZIHGBYXJXVEDK-XKZIYDEJSA-N 446.529 1.966 50 40 IDGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccco1 9703780 DBPZXQPDGXHGBF-KRWDZBQOSA-N 445.435 1.318 50 40 IDGB O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408995402 CHHPIASVZNKVHA-UCQKPKSFSA-N 440.481 1.525 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 409124371 BLSBTNWYOSQVJR-SRZZPIQSSA-N 437.449 1.294 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1OC 409148152 XLTQJQAGKHFLDI-SRZZPIQSSA-N 439.465 1.768 50 40 IDGB NNC(=O)C(=O)N/N=C(/C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl 5808881 QIHPMUGAMPSDGJ-YNJLWJOVSA-N 436.255 1.034 50 40 IDGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40086965 VUIYWHZHNXFKAC-CYBMUJFWSA-N 431.470 1.912 50 40 IDGB COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 10861151 DQEXLGIHZIFZRB-UHFFFAOYSA-N 444.473 1.241 50 40 IDGB CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)o1 78718360 OAPVIBRXTHVKPY-SFHVURJKSA-N 443.483 1.800 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538033 YOHAYIJTYQGLHL-KLNRUULCSA-N 425.445 1.244 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC3CCCC3)o2)cc1 408877528 VOAZRJKIIQUGOI-CFRMEGHHSA-N 439.472 1.352 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1CN1CCc2ccccc21 1824380 LDVAZELRVQCKIF-UFFVCSGVSA-N 435.473 1.621 50 40 IDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 100282927 WECCNIHGXSGOOZ-LKUDQCMESA-N 442.859 1.039 50 40 IDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)NCc1ccccc1 409260386 PPZVCRPOXQWVTQ-RAQUAXEKSA-N 438.484 1.127 50 40 IDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(I)c1 8396653 KZUFKCBFRZIVDX-UHFFFAOYSA-N 447.210 1.823 50 40 IDGB NNC(=O)C(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl 8655303 QIHPMUGAMPSDGJ-MAKCPWPFSA-N 436.255 1.034 50 40 IDGB COc1ccc([C@@H]2[C@H](C)[C@@]3(NC(=O)CCl)NC(=O)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)cc1 100132191 VVWCECFBBRZHIO-YEBVJBRWSA-N 425.876 1.789 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 409160422 YKMZSKMDUNYGCX-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB CC1CCN(Cc2c(C(=O)N/N=C/c3ccc(F)cc3)nnn2-c2nonc2N)CC1 2330296 WVTBRYPGQQLANX-LSHDLFTRSA-N 427.444 1.367 50 40 IDGB CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2c1=O 17189851 ZUPVDSPGPLDZFI-ZDUSSCGKSA-N 437.431 1.370 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(Cl)c1 95941921 URDQAJOGOWDVDS-UHFFFAOYSA-N 431.761 1.637 50 40 IDGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408869183 PORVWVRJLLUWSF-MYKKPKGFSA-N 447.879 1.410 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3O)nnn2-c2nonc2N)c1 1889997 LWQVNZKNSGBSMJ-ZVBGSRNCSA-N 436.388 1.083 50 40 IDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(SC)cc1 2242806 QPAPNMWFVWJPEL-KEBDBYFISA-N 429.510 1.560 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)c1 2450810 YDQOGXVDJZDZTQ-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1cccs1 9478896 GBCBKYHLZLNPFV-AWQFTUOYSA-N 438.429 1.844 50 40 IDGB O=C(NNS(=O)(=O)c1ccccc1Br)c1csc(N2CCOCC2)n1 12977682 NRVGRHAHRCIIQR-UHFFFAOYSA-N 447.336 1.366 50 40 IDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCC(=O)O 408995312 MADTZBDDJAEODO-OCKHKDLRSA-N 444.282 1.094 50 40 IDGB CC1CCN(Cc2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)CC1 2322442 DSLZYJIHSKOLIS-LSHDLFTRSA-N 443.899 1.882 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccn1 33385239 YDPUUIYTHZVJSU-WSDLNYQXSA-N 447.289 1.846 50 40 IDGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccncc1 101072531 YAIDQIHHDYYVBM-JKCCIXDMSA-N 443.095 1.504 50 40 IDGB CCCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O 408658215 IHPIIHOSFUOQFM-SFHVURJKSA-N 437.452 1.846 50 40 IDGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409259044 ZABSCLLFLIQCOM-BUVRLJJBSA-N 438.484 1.575 50 40 IDGB O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccn1 13752032 ARGMIBLAEGDUPI-XLNRJJMWSA-N 444.289 1.615 50 40 IDGB Cc1ccccc1[C@H](C#N)/C(=N\NC(=O)C(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 104280042 JWSMOVJRBZKVIQ-FWYDYZQBSA-N 446.389 1.722 50 40 IDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1cc(Br)ccc1O 1271927 IUUVFNYBBLGXGX-AWQFTUOYSA-N 431.246 1.752 50 40 IDGB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cc(C)oc1C 21330897 OTDZMDUUFMRQHH-INIZCTEOSA-N 425.532 1.758 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)NNC(=O)c1ccccc1 408653663 FHPBALMVQWLNGD-OALUTQOASA-N 449.463 1.984 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 409165666 AUSIPVHFFYMDIB-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CCOc1ncccc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12770453 YUSUXNDUFFLBJV-MRXNPFEDSA-N 446.529 1.651 50 40 IDGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)c2n(C)c1=O 16363792 KQWHHNIFXWOGQK-BRJLIKDPSA-N 446.467 1.163 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 2132537 DVHCGCXAYIMTAR-UHFFFAOYSA-N 432.502 1.990 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc2c(c1)OCO2 9088152 YOXAMRUHCCENEM-AWQFTUOYSA-N 438.429 1.844 50 40 IDGB O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccco1 12535932 GNLBVSCDCGUBOR-UHFFFAOYSA-N 441.425 1.325 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 59421144 FBSGTJIYNLMOIA-QGMBQPNBSA-N 446.221 1.867 50 40 IDGB COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)N1CCOCC1 409009742 BRGWWFPITWEGIO-BUVRLJJBSA-N 440.500 1.763 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OCC)c1 409169854 RJPLTDFNSSPTTB-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB C=CCNC(=S)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 8433309 WSBQXCHKAXFFLU-HNNXBMFYSA-N 433.559 1.317 50 40 IDGB CCn1c(CCC(=O)NNC(=O)c2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21 12602602 FNHMNMMKUQAYSL-UHFFFAOYSA-N 433.490 1.293 50 40 IDGB O=C(N[C@H](C(=O)N/N=C\c1ccccn1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13142101 JTGOJRKVDVQIFT-FQOPDIHJSA-N 426.436 1.940 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 20208317 ZAUFACAYHFVTDI-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c1 58881932 CJSBMFGPWOBOLQ-FSJBWODESA-N 442.472 1.696 50 40 IDGB O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc(Cl)c1 3458373 CNZJIFMICCWVNM-UHFFFAOYSA-N 441.868 1.575 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 12986294 LBRZDQBVOPXNOA-VLIAUNLRSA-N 429.502 1.022 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 58873735 LNSURXMNQXGLHK-ZMOGYAJESA-N 443.456 1.065 50 40 IDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1NC(C)=O 12937080 GBNVRXNZOFMQQN-UHFFFAOYSA-N 445.295 1.378 50 40 IDGB CCc1sc(C(=O)NNC(=O)CSc2nnc(N3CCOCC3)n2CC)cc1C 32938067 PQFJKBSAJSQYKH-UHFFFAOYSA-N 438.579 1.620 50 40 IDGB Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 22934492 CAKQMEIYJWCFBK-UHFFFAOYSA-N 437.544 1.629 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(CC)cc1 409167311 IGCYZTLJPCKEPN-ZMOGYAJESA-N 426.473 1.861 50 40 IDGB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 58158848 ANLUMFFLFIAOPA-OAHLLOKOSA-N 425.850 1.313 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409168224 LPBTUAOVYSCOIB-WYMPLXKRSA-N 428.420 1.604 50 40 IDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCCCC2)o1)C(=O)Nc1ccccc1 408874590 CFMGWOXPUAFZCZ-IWIPYMOSSA-N 439.472 1.387 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c1O 1897222 RVIZRSQOTFVGOL-LSHDLFTRSA-N 434.416 1.686 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)NC1CCCCC1 6444739 DCHNEFILDDMDJZ-CVKSISIWSA-N 437.500 1.676 50 40 IDGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1 3432307 VCKFWEOJDYSTKR-UHFFFAOYSA-N 440.481 1.990 50 40 IDGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)CC1 20292443 CGRCQHGWQTUGSV-ROMGYVFFSA-N 428.496 1.920 50 40 IDGB CCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2cc3ccccc3cc2O)n1 28287141 LCWSORRFYZKXFH-UHFFFAOYSA-N 434.861 1.857 50 40 IDGB COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 59516067 RSWONQHSLDXJQY-ZVHZXABRSA-N 429.473 1.920 50 40 IDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70698880 IUWMXNPPXWLHGJ-UPGKWBRKSA-N 441.477 1.719 50 40 IDGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)cc1 2352388 RWFPSOWNPPQVHA-FSJBWODESA-N 433.432 1.847 50 40 IDGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408663599 ANYYCDBTHXPSJJ-HNNXBMFYSA-N 440.412 1.261 50 40 IDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409154751 KKWYEESRVOOAFW-OEAKJJBVSA-N 440.456 1.022 50 40 IDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)c2ccccc21 2239392 WAAZWTSOZZEBTC-QHCPKHFHSA-N 435.436 1.399 50 40 IDGB CCCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1 3205029 SSSGNLOFNDXLOH-PXLXIMEGSA-N 447.513 1.966 50 40 IDGB CC(=O)OC(=O)CCC[C@@H](NO)[C@@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 70686644 DARYWTWIBAYGJK-FPAYPSAMSA-N 438.502 1.440 50 40 IDGB biogenic COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 409170632 VZLYXWIFOLDTBK-FSJBWODESA-N 432.864 1.570 50 40 IDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)c2ccccc21 9108940 WAAZWTSOZZEBTC-HSZRJFAPSA-N 435.436 1.399 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 16321245 PCUIVAWHMYZQMG-CIAFOILYSA-N 448.501 1.433 50 40 IDGB NC(=O)C(=O)N/N=C1\c2ccccc2C[C@@H]1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 104280108 AMYBEIWLALUSRY-DNJQETNFSA-N 433.251 1.311 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409164813 OFXQETZKPMTBKU-AUEPDCJTSA-N 432.864 1.871 50 40 IDGB COc1ccccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1OC)C=2C#N 988709 LCWFKXSAQINFHP-TUJQNWBVSA-N 442.500 1.878 50 40 IDGB CC(C)Cn1nc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c2ccccc2c1=O 9128301 FEIFEWYIBZWXDH-UHFFFAOYSA-N 432.440 1.364 50 40 IDGB CCn1nc(C(=O)NNC(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2c1=O 14241300 JAEVJESZIYHYTO-UHFFFAOYSA-N 428.832 1.916 50 40 IDGB CN(C)c1cccc2c(S(=O)(=O)NCCSSCCC(=O)NN)cccc12 33786041 HQDKAFHASWURKG-UHFFFAOYSA-N 428.605 1.946 50 40 IDGB in-vitro CCn1ncc(NC(=S)NNC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c1C 102645002 GDOAMCVOLNCLHT-XSYNCLLFSA-N 443.581 1.820 50 40 IDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 409262734 JSNWTWXFKKEEOF-MFKUBSTISA-N 438.484 1.463 50 40 IDGB N#C/C(=C\c1cc(I)cc(I)c1O)C(N)=O 16952057 GBSHGOXFJKLHRU-LZCJLJQNSA-N 439.978 1.994 50 40 IDGB Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCCC4)cnc2n(C)c1=O 22759825 QTKWZSJIDQHEJP-UHFFFAOYSA-N 441.513 1.428 50 40 IDGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(CC(N)=O)c3ccccc32)cc1 100073741 CZUMIHQARFISHQ-NHFJDJAPSA-N 435.484 1.066 50 40 IDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 3437492 CQNOBLTTXZIFOK-UHFFFAOYSA-N 433.486 1.335 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccc3O)nnn2-c2nonc2N)c1 9307104 IPPVSHPVLMKCFS-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB COc1cc(C(=O)N/N=C/c2ccc(OC(=O)C[C@@H]3SC(=O)NC3=O)cc2)ccc1O 2688957 KHNOZPYUUHJQRM-CTJICSLTSA-N 443.437 1.812 50 40 IDGB C[C@H]1Sc2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2NC1=O 9910713 PCDHBNVPOHRTIH-SNVBAGLBSA-N 433.515 1.487 50 40 IDGB CCOC(=O)C1=C(c2ccccc2)N(CC(N)=O)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 6544906 DDDHAHYERVZOCE-DEOSSOPVSA-N 444.447 1.313 50 40 IDGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1cccnc1 32668553 JLUGIADISLEAMX-UHFFFAOYSA-N 441.513 1.814 50 40 IDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OCC(=O)N1CCOCC1 818616 RROCPVGUOATLGN-FQEVSTJZSA-N 427.457 1.569 50 40 IDGB C/C(CC(=O)NCCCN1CCOCC1)=N\NC(=O)COc1cccc2ccccc12 4679449 BRIKPLFLGPMZMC-XIEYBQDHSA-N 426.517 1.939 50 40 IDGB COc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9510246 FWMFXYGNJJAQRD-UHFFFAOYSA-N 433.486 1.320 50 40 IDGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1cccs1)n2C 9882837 WGMXDBVRMRKGSK-UHFFFAOYSA-N 435.531 1.279 50 40 IDGB Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 14514237 BLVOUZLZHMGIQV-UHFFFAOYSA-N 433.412 1.804 50 40 IDGB Cc1[nH]c(N)nc(=O)c1CCCNS(=O)(=O)c1ccc(C(=O)CBr)cc1 17421421 GXENAXXUYXXAFJ-UHFFFAOYSA-N 443.323 1.149 50 40 IDGB Cc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc(S(=O)(=O)N(C)C)c1C 28717862 RIWPOGLTSKQURJ-UHFFFAOYSA-N 443.323 1.719 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(F)c1 33431894 GOUUNGNZNXNUGJ-HIFRSBDPSA-N 431.445 1.899 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c2ccccc2c1=O 72284171 KCSXHOWBUUAMOO-YLJYHZDGSA-N 448.483 1.182 50 40 IDGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 100808216 LDKJDEFJWSZHCV-MFKUBSTISA-N 426.473 1.883 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408534149 LNVZWZDKHZMKSM-CPHRPENTSA-N 441.831 1.913 50 40 IDGB O=C(COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 408661151 DOOLUOXGXJEDCL-UHFFFAOYSA-N 428.401 1.708 50 40 IDGB O=C(COc1cccc2ccccc12)NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 2236633 OUYVUFLQOLQTST-SFHVURJKSA-N 447.447 1.943 50 40 IDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1 9588533 ZVEYVNHBGKJJPW-UHFFFAOYSA-N 433.534 1.382 50 40 IDGB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)c1cn(C)c2ccccc12 36394412 ZZJYKLJJCLJSJV-UHFFFAOYSA-N 433.472 1.331 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)NC[C@H]1CCCO1 58873569 VBQRGARRJXVMLB-RAQUAXEKSA-N 438.484 1.127 50 40 IDGB CC(=O)NCCCC(=O)NN[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 2232635 GWAGFZHFUBABGC-ZDUSSCGKSA-N 434.802 1.528 50 40 IDGB COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCCC1 34701757 GUWSTEABKLOZEK-UHFFFAOYSA-N 447.513 1.628 50 40 IDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1 59246696 OBXLVORTRCQHOQ-QRVIBDJDSA-N 427.457 1.755 50 40 IDGB CC(=O)N1C(=O)[C@@]2(c3ccccc31)c1cccc3c1C(=C1C(=O)OC(=O)[C@H]12)C(=O)N3C(C)=O 103999316 UUAZDPSHVKNFFN-CYFREDJKSA-N 442.383 1.226 50 40 IDGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCOC)c2)cc1 409162928 JQCKRUMOHCGBHO-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB CCSCCCOc1cc(C(=O)NN)c(OCCCSCC)cc1C(=O)NN 1857795579 NLNZIPCPNKPHOK-UHFFFAOYSA-N 430.596 1.938 50 40 IDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 2375109 ABZZYIVILWCYGI-LSFURLLWSA-N 432.400 1.701 50 40 IDGB CCOC(=O)[C@H]1NN=C(C(=O)[C@](C)(O)CBr)[C@@H]1c1ccc([N+](=O)[O-])cc1 17251859 QMMFHUORWJAFJZ-DETPVDSQSA-N 428.239 1.284 50 40 IDGB CCn1c(=O)c(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(O)c2ccccc21 100551333 LYVQFRAHBVZHGG-UHFFFAOYSA-N 441.356 1.618 50 40 IDGB O=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1ccc([N+](=O)[O-])cc1 408726587 UFGJSSQCVYJSKX-UHFFFAOYSA-N 429.441 1.365 50 40 IDGB COc1cc(C(=O)NNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)ccc1OC(C)C 12764568 XUTYTDDBLKNLON-UHFFFAOYSA-N 446.504 1.888 50 40 IDGB O=C(COCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)N/N=C\c1cccc([N+](=O)[O-])c1 31723775 DXMLTAOYWHWHGL-QJUDHZBZSA-N 428.361 1.120 50 40 IDGB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)c1ccccc1-n1cccc1 9339044 MEZNDDSGPCGUKH-DEOSSOPVSA-N 443.463 1.632 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409165596 ABQCMLUDMCQUNC-FSJBWODESA-N 432.864 1.570 50 40 IDGB COc1cc(C(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)cc(OC)c1OC 3372756 SJIJZKJBKBWFDZ-UHFFFAOYSA-N 435.864 1.947 50 40 IDGB N#CC(C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)=C1Nc2ccccc2N1 9438954 UAAKSZJFYDAKOO-UHFFFAOYSA-N 425.470 1.475 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1 16187511 NUMSDNPEVWWYJL-ODLFYWEKSA-N 436.446 1.383 50 40 IDGB COCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 2782013 SUBDRPUXIZXBKT-CBAPKCEASA-N 430.403 1.581 50 40 IDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 9545033 WVTZBPDZEFVYMP-LBPRGKRZSA-N 443.884 1.715 50 40 IDGB COc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2cccc(OC)c2)C=3C#N)c1 12371519 FSVDYOCGEXYJPN-PKZJLGKPSA-N 442.500 1.878 50 40 IDGB COc1cccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 12464054 BATKFAOLYZTGFQ-HMAPJEAMSA-N 446.529 1.166 50 40 IDGB O=C(NNC(=S)Nc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15871257 JXLATAQWMMOLHO-UHFFFAOYSA-N 438.506 1.478 50 40 IDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)c1C 30020001 QDWFBDCXUUNSSM-DZGCQCFKSA-N 438.506 1.190 50 40 IDGB CC(=O)Nc1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 103518029 LYCCFMLPQJEQMC-HKJBKDEOSA-N 428.470 1.337 50 40 IDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccn1 408740754 HWHSCIAGUDCENV-IDTCLIEOSA-N 446.286 1.624 50 40 IDGB CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1 14185856 WFQYPINXFIXCKB-UHFFFAOYSA-N 442.291 1.706 50 40 IDGB Cn1cc(Br)cc1C(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 18234278 QULOOUVAUJUOMD-TXEJJXNPSA-N 425.283 1.114 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(OC)c1OC 2265151 DWOYVVISYWDCKB-DNTJNYDQSA-N 430.425 1.146 50 40 IDGB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1ccccc1O 14199027 MUIZHFAAEBFGMN-VIFPVBQESA-N 432.285 1.827 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 26962516 LYCBTSJDMJYGBE-KRWDZBQOSA-N 447.513 1.878 50 40 IDGB CCCn1nc(C(=O)NNC(=O)C2(N3CCOCC3)CCCC2)c2ccccc2c1=O 72284165 JXBMUVKNNOORMQ-UHFFFAOYSA-N 427.505 1.213 50 40 IDGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCC(=O)NCc1ccccc1 408610959 PDMJDZKJSYQPGY-ZMOGYAJESA-N 426.473 1.365 50 40 IDGB O=C(CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)N1CCCCC1 408667069 AZDROQIQRMHQQS-USZNOCQGSA-N 436.144 1.921 50 40 IDGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1 1877152 YBCYSQRWBTYEHT-UFFVCSGVSA-N 427.469 1.672 50 40 IDGB CCNC(=O)/C(C#N)=C/c1c(N2CCC[C@@H](C(=O)OCC)C2)nc2c(C)cccn2c1=O 2199785 BGEONIZMFGNGES-QRYYFKOISA-N 437.500 1.826 50 40 IDGB CCC1(CC)NC(=O)N(CC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)C1=O 14069601 AHUUANAJGKDPMO-UHFFFAOYSA-N 438.484 1.990 50 40 IDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1 18071408 MNSCAQPEBIOPTH-CYBMUJFWSA-N 441.531 1.382 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 102676076 RKFITUOXDYWMMC-AZZDOICSSA-N 449.872 1.730 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535562 OCXJOLBCNPDCHC-QTRYLGLYSA-N 439.472 1.634 50 40 IDGB Nc1nnn(CC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)n1 13552101 LYVCQDZWJQGZPR-UHFFFAOYSA-N 430.266 1.747 50 40 IDGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=S)NC[C@H]2CCCO2)C(C)C)c1 26800901 AWLWUORIDQACFW-PBHICJAKSA-N 438.550 1.133 50 40 IDGB CC(=O)C[C@@H]1[C@]2([N+](=O)[O-])CN(CCBr)C[C@]1([N+](=O)[O-])c1ccccc1C2=O 100120968 JOCASRDDRJGRLI-BHYGNILZSA-N 440.250 1.676 50 40 IDGB Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1NC(=O)c1ccco1 9439041 WVBSJUMNOUYTKO-UHFFFAOYSA-N 431.412 1.891 50 40 IDGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 408662878 NZNUXFZCUJFCMS-RPLLJCPNSA-N 447.875 1.065 50 40 IDGB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=S)NCc1ccccc1 9316626 PGCXOBCLYCLFRZ-INIZCTEOSA-N 447.948 1.399 50 40 IDGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 9715643 GOVJNFKRDVIDFD-UHFFFAOYSA-N 428.445 1.834 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)NC[C@H]1CCCO1 58873478 YSTYXMPYARGRQR-NZYROCMPSA-N 430.505 1.260 50 40 IDGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)N1CCCCC1 102646156 RNIBTTRSOQGBAY-ZZWKFIDSSA-N 448.155 1.777 50 40 IDGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c(O)c1 2096371 BTJJJTLYFLLZSF-BLTFUYFMSA-N 426.473 1.645 50 40 IDGB CCNC(=S)NNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 2315438 PEIGFRGJRWQYSG-UHFFFAOYSA-N 427.559 1.996 50 40 IDGB O=C(NNC(=O)c1ccc(F)cc1Br)c1csc(N2CCOCC2)n1 12853029 BBNLMLOGRYBXNE-UHFFFAOYSA-N 429.271 1.956 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c1 24929120 YQMBWFFCJYMMNP-UHFFFAOYSA-N 443.481 1.898 50 40 IDGB N#CC1=C(N)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=C(C(N)=O)[C@@H]1c1ccc(F)cc1 102781891 UXYVEPPJKHUJAN-VHEJECIDSA-N 436.443 1.101 50 40 IDGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408774891 YNERUSNOSVMKID-FBHDLOMBSA-N 440.909 1.634 50 40 IDGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409024680 NDSKIAMAYKRKDE-FYJGNVAPSA-N 447.473 1.860 50 40 IDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3C(=O)O)nnn2-c2nonc2N)cc1 2396740 DTQRWLKOTDADFN-LSHDLFTRSA-N 432.400 1.670 50 40 IDGB Cc1ncc(CO)c(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1O 9788833 ZIWPQTNWNDCZHF-WSDLNYQXSA-N 432.502 1.526 50 40 IDGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 408731224 LIGZMGZXCXACHY-RGVLZGJSSA-N 440.441 2.400 50 40 IDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccncc3)CC2)cc1OC 408969972 XYDCQWOJIPRSFK-HYARGMPZSA-N 432.502 1.650 50 40 IDGB CCOc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409142048 PQXFNULPXGFASK-RGVLZGJSSA-N 437.474 1.237 50 40 IDGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409257774 UXEGIURCDQIECC-KTCKORJGSA-N 438.484 1.758 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)OC(C#N)=C[C@]12C(=O)OCC 245238838 BOAMZUZHABXACO-SZVRBWLDSA-N 446.456 1.727 50 40 IDGB O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(F)cc1 12888887 VNCHORUQDFBGCU-UHFFFAOYSA-N 441.868 1.575 50 40 IDGB COc1cc(OC)cc(-c2nc(SCC(=O)NNC(=O)Cc3ccccc3)n[nH]2)c1 408636426 CXAJXZRUXFOTMZ-UHFFFAOYSA-N 427.486 1.971 50 40 IDGB Nn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1C(F)(F)F 8748139 ACQIZNXKFJYQFD-UHFFFAOYSA-N 439.217 1.327 50 40 IDGB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)Cc1nc2ccccc2n1C 9910927 SVRFWSXEFSUBIR-HXUWFJFHSA-N 425.464 1.857 50 40 IDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)c1 17396843 CUVJHGWLUOBJIO-UHFFFAOYSA-N 442.453 1.259 50 40 IDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 25437782 PAXBIRJMVKMAPR-XUSGNXJCSA-N 446.410 1.347 50 40 IDGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccncc1 245285625 YAIDQIHHDYYVBM-MOCCIAMBSA-N 443.095 1.504 50 40 IDGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 408534586 MJBDTGIMBYBOBQ-RNDVCUHJSA-N 425.357 1.218 50 40 IDGB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1 408646367 OQHKMHURHUZFLQ-UHFFFAOYSA-N 429.429 1.427 50 40 IDGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1ccc(Cl)cc1Cl 408729162 AWRFTAPTQQYYLM-BLLMUTORSA-N 425.261 1.908 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)c(OC)c1 408784832 VQADMHWOUAJUBP-RGVLZGJSSA-N 437.474 1.334 50 40 IDGB O=C(CCc1ccccc1)NNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 9907299 SWRPATRCHSSAHA-UHFFFAOYSA-N 442.491 1.271 50 40 IDGB COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 10632957 PDQYENOTJWBFPO-UHFFFAOYSA-N 435.502 1.842 50 40 IDGB O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12506274 GVZMXNUTLHLTEK-UHFFFAOYSA-N 439.497 1.936 50 40 IDGB CN1C(=O)/C(=N\NC(=O)CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 22786956 VLOSUECJYDWSBT-RWEWTDSWSA-N 449.511 1.420 50 40 IDGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409322658 KGEXBEWXCKTNKP-IRXDYDNUSA-N 445.497 1.470 50 40 IDGB Cc1cc(C)c(NCC(=O)NNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c(C)c1 12548276 IVXZIFMGMBHFCH-SFHVURJKSA-N 427.427 1.745 50 40 IDGB O=C(N[C@@H](C(=O)N/N=C\c1ccccn1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13142102 JTGOJRKVDVQIFT-PUDRWSQFSA-N 426.436 1.940 50 40 IDGB NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 22410240 RJCMCIPOKQTTIO-UHFFFAOYSA-N 427.548 1.250 50 40 IDGB O=C(CCl)Nc1nnc(CCOCCc2nnc(NC(=O)CCl)s2)s1 105622298 DAIHWJQZXKOIKK-UHFFFAOYSA-N 425.323 1.546 50 40 IDGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408689741 ZFFNRPMUFLWDKP-PWTXATHPSA-N 439.295 1.942 50 40 IDGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409322655 KGEXBEWXCKTNKP-IAGOWNOFSA-N 445.497 1.470 50 40 IDGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 2497117 XUAMIKIMVKCUSO-XMMPIXPASA-N 444.447 1.455 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 8451400 MARNRPOMRBSBPV-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB COc1ccccc1-n1nnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 12708402 VEUTWBMUKPFRCE-UHFFFAOYSA-N 448.892 1.643 50 40 IDGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 13147777 MAWKOCLXUIUFDX-INIZCTEOSA-N 425.420 1.278 50 40 IDGB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 95545662 HEEMMCXLQYBEQK-SDXDJHTJSA-N 448.545 1.799 50 40 IDGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 408644616 HEGCZNJJOPNZCT-AWEZNQCLSA-N 445.859 1.706 50 40 IDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1cccnc1 408744134 YVPABNKYZOKOSQ-QOJWJBQSSA-N 446.286 1.624 50 40 IDGB CC(C)OC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccnc1 1797417 LSGFNHYFWSROMK-ZTXRYZOMSA-N 445.504 1.079 50 40 IDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccc(Cl)cc1 408656618 NOPNSHDIYGPCJT-ZDUSSCGKSA-N 433.823 1.836 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)c1 59434052 QXFKIGCIHLTDAZ-HZHRSRAPSA-N 426.473 1.511 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 409154016 NFWVYIXBFLJYPV-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(I)ccc1O 30791473 MLMITVNURPPKRE-OSKGYPLHSA-N 449.248 1.977 50 40 IDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] 12980870 OBTGIXFZHFWXHJ-UHFFFAOYSA-N 427.822 1.951 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC 408773807 MHGMXISMRJIJTF-CIAFOILYSA-N 435.502 1.937 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409164644 LKPMIXFMQHDKLS-WYMPLXKRSA-N 430.436 1.828 50 40 IDGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 8683293 RDMAQMOHISXNNM-UDWIEESQSA-N 429.389 1.869 50 40 IDGB CCn1c(SCC(=O)NNC(=O)Cc2nc3ccccc3n2C)nnc1-c1ccco1 9442461 XTBGJOSBSOVYTD-UHFFFAOYSA-N 439.501 1.927 50 40 IDGB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)NNC(=O)c1n[nH]c(=O)c2ccccc12 9532421 HJVKDMHMQAKTTE-UHFFFAOYSA-N 443.847 1.534 50 40 IDGB COc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9849715 PVNYZOMVJRXAPG-UHFFFAOYSA-N 428.464 1.724 50 40 IDGB Cc1ccc(SCC(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 14020500 WZJGVXWKFRPBQM-QFIPXVFZSA-N 438.509 1.628 50 40 IDGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 28214044 HFHSZDIKMIYQRB-KTCKORJGSA-N 441.484 1.898 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c(OC)c1 408771869 KTWWYHBHFPFPNQ-YBFXNURJSA-N 436.446 1.528 50 40 IDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNc2nc3ccccc3s2)cc1 8768784 RJWFXQXOSAWMQA-UHFFFAOYSA-N 447.542 1.533 50 40 IDGB CCOC(=O)/C(C#N)=C/C(C(=O)OCC)=C(/N)N1CCN(c2ccc(OC)cc2)CC1 100205550 DISBVDFIAYLFOG-AEHPWRMBSA-N 428.489 1.564 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538034 YOHAYIJTYQGLHL-WYCLYNHLSA-N 425.445 1.244 50 40 IDGB COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)cc2)C=3C#N)cc1 848240 YQJQASJBTLOOCV-IOAQBMTJSA-N 442.500 1.878 50 40 IDGB CC(C)OC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccnc1 8448567 LSGFNHYFWSROMK-XUKORKDYSA-N 445.504 1.079 50 40 IDGB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Cl 8667283 OJDUAIYTKBXXBW-UHFFFAOYSA-N 429.816 1.331 50 40 IDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1 9544740 SLAOLEMVYXTMOE-UHFFFAOYSA-N 432.321 1.836 50 40 IDGB O=C(CC1(C(=O)O)CCCCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 13254460 FEGTUEHZEXLVLG-UHFFFAOYSA-N 437.518 1.657 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)NC[C@@H]1CCCO1 58873567 VBQRGARRJXVMLB-MOYYISEASA-N 438.484 1.127 50 40 IDGB COCCNC(=S)NNC(=O)c1cc(Br)c(O)c(Br)c1 59144882 FLWXFQLSCCRPMK-UHFFFAOYSA-N 427.118 1.673 50 40 IDGB COc1cc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1 103516732 BXUHYWXUPHOWJX-YFEUJDIGSA-N 431.470 1.396 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20210254 WHSBLFHDOIEPBD-YBFXNURJSA-N 436.446 1.528 50 40 IDGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(O)cc1 36108844 PASYBYVMUAGUEZ-OQKWZONESA-N 430.530 1.547 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 408878218 YJAPCNNIBIAYOE-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)Nc1ccc(F)cc1 409265795 PGGCDHJHCTUSSB-BPDXMKQKSA-N 442.447 1.589 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 409388894 XQFNAOGYFPLAII-ZHSNQQFMSA-N 435.436 1.744 50 40 IDGB CCOC(=O)C1=c2s/c(=C\c3ccc(C)o3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)o1 2208050 DLTDSDFZIFZDTG-VHEJECIDSA-N 437.477 1.704 50 40 IDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCl)c1 3225442 CYFNWWNQBKNBQJ-UHFFFAOYSA-N 426.882 1.679 50 40 IDGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc21 9562684 BJKXEXSSISGXQE-UHFFFAOYSA-N 433.446 1.905 50 40 IDGB COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 13136856 FSODBBVDJSBKIE-GJZGRUSLSA-N 447.513 1.568 50 40 IDGB CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccc(Br)cc3)ccc21 15243058 HBKNLWQSJYRFNO-UHFFFAOYSA-N 438.303 1.981 50 40 IDGB Cc1cc(C)nc(NNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1 40145261 BUESOUPJUOZLDF-UHFFFAOYSA-N 428.312 1.620 50 40 IDGB Cc1cc(C)c(NCC(=O)NNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)c(C)c1 12548275 IVXZIFMGMBHFCH-GOSISDBHSA-N 427.427 1.745 50 40 IDGB CC(=O)C[C@H]1[C@]2([N+](=O)[O-])CN(CCBr)C[C@@]1([N+](=O)[O-])c1ccccc1C2=O 19848538 JOCASRDDRJGRLI-DJIMGWMZSA-N 440.250 1.676 50 40 IDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c(OC)c1 58881875 WYPZMTXWUCEVJK-FSJBWODESA-N 442.472 1.696 50 40 IDGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(C)=O)cc2)C1=O 408535357 NTCJTYJCNFXUOO-XHADFYDMSA-N 437.412 1.268 50 40 IDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OC 408995258 LNQRAOMUFSYRHT-MFOYZWKCSA-N 433.246 1.091 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 409150221 AMSPODCVZYXSOJ-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB O[C@@H]1[C@H](CI)O[C@H](Oc2ccc(Br)cc2)[C@@H](O)[C@@H]1O 8740201 KMKUGSBGWATLAO-KNZXXDILSA-N 445.047 1.071 50 40 IDGB biogenic O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12995463 BRBBXUSHTCDQET-GOSISDBHSA-N 431.470 1.072 50 40 IDGB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NNC(=O)c1cc2c(s1)CCC2 17446007 AKPQXXTYJOOZSD-UHFFFAOYSA-N 426.498 1.555 50 40 IDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)ccc21 35315666 XMPZMFXYNCTQTE-AUEPDCJTSA-N 445.443 1.009 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c1 409183987 DQPGIBIZEWFYFB-CIAFOILYSA-N 449.485 1.391 50 40 IDGB CCOC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1 1516830 BGMMBQJDSXHJLQ-CWDSQJGSSA-N 429.501 1.901 50 40 IDGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21 13756292 NKXXPKHJXCNATC-GFMRDNFCSA-N 428.876 1.876 50 40 IDGB Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 57964099 IHQVVJBPUCFQMD-UHFFFAOYSA-N 445.541 1.718 50 40 IDGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCc2ccccc2OC)c(OC)c1 100055345 NBZRGMQZTWJEET-AFUMVMLFSA-N 442.472 1.850 50 40 IDGB CCNC(=O)/C(C#N)=C/c1c(N2CCC(C(=O)OCC)CC2)nc2c(C)cccn2c1=O 2329279 LBIVWHYYYKADLZ-GHRIWEEISA-N 437.500 1.826 50 40 IDGB CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1cc(Br)cn1C)C2=O 8753673 BFYVSACVUHNAFG-UHFFFAOYSA-N 440.298 1.049 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)NNC(=O)c1ccccc1 408657367 JPXZUPCDHXKWGZ-OALUTQOASA-N 447.447 1.760 50 40 IDGB CCOC(=O)[C@@H]1NN=C(C(=O)[C@](C)(O)CBr)[C@H]1c1ccc([N+](=O)[O-])cc1 9411306 QMMFHUORWJAFJZ-AXAPSJFSSA-N 428.239 1.284 50 40 IDGB COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC 9882930 XGBYDLUQAYJCNQ-UHFFFAOYSA-N 437.474 1.038 50 40 IDGB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 14290985 NEKWZVFNUJAUAE-APWZRJJASA-N 444.463 1.781 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 3770403 QVLPAQUXZFRQQJ-GDBMZVCRSA-N 443.481 1.768 50 40 IDGB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408688184 WIVREZIICNKDMY-XRWATXQWSA-N 439.295 1.942 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 409176263 ZLDFOHLCOMCPJC-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COc1cc(C(=O)NNC(=S)NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 9137816 NYZZWGYUTMQFAZ-UHFFFAOYSA-N 433.442 1.390 50 40 IDGB CC(=O)Nc1cccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 9422728 BDPXXAVEYHFCNP-LTKMBJGESA-N 428.470 1.337 50 40 IDGB Cc1cccc(OCC(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 13042140 OHJKSSUTKHDPBD-UHFFFAOYSA-N 445.419 1.676 50 40 IDGB COc1cc(C)nc(N2CCC[C@H](C(=O)NNC(=O)COc3ccc(Cl)cc3)C2)n1 13562905 ARUQHANWJUJMPJ-AWEZNQCLSA-N 433.896 1.890 50 40 IDGB NS(=O)(=O)c1ccc(NCCC(=O)NNC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 32747487 YSLOZNWDNACMBM-UHFFFAOYSA-N 441.853 1.159 50 40 IDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1 408731893 QMXRTUIGFAPUII-FRKPEAEDSA-N 428.268 2.267 50 40 IDGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 409029207 ZNBLOTHNHLWSCA-FYJGNVAPSA-N 447.473 1.860 50 40 IDGB COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCN(C)CC2)c2ccccc21 20220171 QHNUOPVOUJSFJX-LVWGJNHUSA-N 437.500 1.146 50 40 IDGB O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 32186356 FAIXVMQDDYWQLN-YSMPRRRNSA-N 447.451 1.301 50 40 IDGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 33571594 HLOZQUHNOHPCST-BKUYFWCQSA-N 435.502 1.873 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59960470 MXGKDDXOVMBBNW-WZJLVRHISA-N 440.500 1.546 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2c1=O 72284160 YDYWQTMWZRGJAQ-DEOSSOPVSA-N 449.511 1.205 50 40 IDGB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NNC(=O)[C@@H]1COc2ccccc2O1 3351854 QVLTUCDJIYHZCN-FQEVSTJZSA-N 436.420 1.648 50 40 IDGB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 8667285 JKQRFFCFEDGHMU-UHFFFAOYSA-N 429.816 1.331 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1 39986674 AJZOWMMRVCDBQQ-ODLFYWEKSA-N 436.446 1.383 50 40 IDGB COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c(C#N)c2C)cc1 409061478 XUIQETIASLWVAH-MXAYSNPKSA-N 445.435 1.972 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 409151550 CEXASYVZSYOVSS-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)[C@H]1COc2ccccc2O1 15795200 HBQJYVMVCFJPCV-OAHLLOKOSA-N 434.246 1.166 50 40 IDGB Cn1c(=O)c2ncn(CC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)c2n(C)c1=O 16363790 KQWHHNIFXWOGQK-UHFFFAOYSA-N 446.467 1.163 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58873039 NCROYUMLOQMIET-CFRMEGHHSA-N 430.436 1.446 50 40 IDGB CC(=O)OC(=O)CCC[C@H](NO)[C@@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1OC(C)=O 70686652 DARYWTWIBAYGJK-NBMJBFSESA-N 438.502 1.440 50 40 IDGB biogenic COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 409167508 IVOMYCCSGHCLIS-FSJBWODESA-N 432.864 1.570 50 40 IDGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 15756478 WYPWLTCAJQMOPJ-CQSZACIVSA-N 440.481 1.252 50 40 IDGB COc1ccc(OCC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 23109279 WNANZLBFQMQGLM-UHFFFAOYSA-N 425.416 1.884 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)NC[C@H]1CCCO1 28215019 ZEGVKBHEKQKCEB-HUWCPGAKSA-N 439.468 1.651 50 40 IDGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NC3CC3)cccc2OC)cc1 408607647 DWHOSUMLPDOOAJ-FSJBWODESA-N 440.456 1.450 50 40 IDGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(OC)c2O)c(C)c(C#N)c1=O 409051642 DMFIJTCMWKDQIS-MSXFZWOLSA-N 433.424 1.899 50 40 IDGB O=C(N/N=C/c1ccccc1OCC(=O)N1CCOCC1)C(=O)Nc1ccc(F)cc1 409261931 GAIOFFJRSUNAAL-YDZHTSKRSA-N 428.420 1.152 50 40 IDGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 2726374 OPKAADTXUUBUND-UHFFFAOYSA-N 437.905 1.965 50 40 IDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(Cn2cncn2)cc1 9423357 FDNQRSBFZQYQFP-BKUYFWCQSA-N 447.499 1.163 50 40 IDGB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccccc1O 32719997 KDRWZVFXWWPQDY-SECBINFHSA-N 432.285 1.827 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)NCc1ccccc1 58873765 VEKGUVWTCQWAOT-VULFUBBASA-N 434.452 1.741 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)c1 1875848 ZQLJUOQIVHLWGD-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1 9513852 PQJHMUDEJFDBNK-UHFFFAOYSA-N 431.474 1.033 50 40 IDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCN(C(=O)c2ccc(F)cc2)CC1 9882977 WCOAJVFSGOUIEV-LJQANCHMSA-N 427.432 1.665 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c(OC)c1OC 409144307 JHZURUZCXHZJRP-CIAFOILYSA-N 435.502 1.624 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409163183 NCMFWARZEFBQNU-ZMOGYAJESA-N 442.472 1.698 50 40 IDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)o1 2747632 BYYVPSPIDTWFKR-ZEELXFFVSA-N 430.289 1.810 50 40 IDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC)CC1 9075472 MXNZHPUAZPRPBD-OBGWFSINSA-N 438.532 1.205 50 40 IDGB CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284088 ZNCKGBFLXBWRRL-MGPUTAFESA-N 433.530 1.844 50 40 IDGB COc1cc(OC)c(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 254762017 CEEZIIRXLNFYQZ-UHFFFAOYSA-N 426.517 1.980 50 40 IDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccc(F)cc1 409267861 PJJDOABPMXEMGD-LLXCYVELSA-N 442.447 1.589 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408660256 NGJDXLJNCOIKQB-OELWXQPESA-N 447.875 1.064 50 40 IDGB COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 9721751 VQADEESVGMLAGD-UHFFFAOYSA-N 447.513 1.628 50 40 IDGB COc1ccc(CC(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9849694 PNKHKOIETJXJQS-UHFFFAOYSA-N 442.491 1.653 50 40 IDGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)ccc1O 20462187 LMGYRTFQUCLRKM-AWQFTUOYSA-N 440.445 1.829 50 40 IDGB CSS(=O)(=O)CCC(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12 514268827 RUEVOPDRENGYNH-UHFFFAOYSA-N 432.545 1.698 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 9233003 WZVZRSJQZJJJML-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1 39986709 DZLBLUHXKJGDOC-ODLFYWEKSA-N 436.446 1.383 50 40 IDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408729543 CGTVRVWLTFZIJO-FZSIALSZSA-N 426.798 1.045 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535558 OCXJOLBCNPDCHC-OOQHKSQVSA-N 439.472 1.634 50 40 IDGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409311512 ADGPUJATODUUFL-HOTGVXAUSA-N 432.454 1.507 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1OC 408768375 WSYOYPAJSXDCQI-YBFXNURJSA-N 436.446 1.528 50 40 IDGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 832981 ZURHYKSHNFRCEO-FBCYGCLPSA-N 429.780 1.781 50 40 IDGB Cn1c(CC(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)nc2ccccc21 9129889 NVISXBQQDUMCCQ-UHFFFAOYSA-N 434.250 1.049 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2c(c1)OCCO2 9423685 QICBPOKSEJNKHT-KWZJRMENSA-N 429.454 1.150 50 40 IDGB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408690058 ZMFBUIIUBQMSNJ-SPGVSREJSA-N 436.258 1.942 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 408857151 JTUZMYHBTIQTNU-IYHCKTHZSA-N 425.441 1.214 50 40 IDGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCOC)c2)cc1 409150254 BADIIPFCLBGQQY-ZVHZXABRSA-N 426.473 1.479 50 40 IDGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1 2195254 GGHNTDYVTMFBML-MRXNPFEDSA-N 435.440 1.897 50 40 IDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)cc1 2451477 YMDLIHPYLFLRTC-OEAKJJBVSA-N 446.529 1.606 50 40 IDGB COc1cc(/C=N/NC(=O)COc2ccccc2F)ccc1OCC(=O)N1CCOCC1 9614077 FOMBCBHOLVJUJE-ZMOGYAJESA-N 445.447 1.601 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 409166465 DPTWHIZWXCDDSP-ZMOGYAJESA-N 442.472 1.234 50 40 IDGB CCOc1c(I)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 59246405 BUJYLZGDRADATK-VCHYOVAHSA-N 447.273 1.481 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 409163113 LYKJASWMYOVBAB-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1Oc1ccc([N+](=O)[O-])cn1 409214339 WXXVUXWLEGPLSZ-UUYOSTAYSA-N 429.433 1.963 50 40 IDGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 1889237631 DQRAMWYAPKXMFZ-BGYRXZFFSA-N 434.496 1.231 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1csc(N2CCOCC2)n1 12977684 BTAJTKMQSFUQOC-UHFFFAOYSA-N 436.437 1.622 50 40 IDGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)CCNC(=O)c1ccccc1 13132204 PRSVLYGRNDISHB-UHFFFAOYSA-N 439.501 1.030 50 40 IDGB CC1CCN(Cc2c(C(=O)N/N=C/[C@H](C)c3ccccc3)nnn2-c2nonc2N)CC1 13659388 UFMCUZQRXBQBTC-GIEPYWIESA-N 437.508 1.984 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408907500 PLSYMZUXHYVENE-CIAFOILYSA-N 449.485 1.163 50 40 IDGB CCOc1ccc(N([C@H](C)C(=O)NN=C2C(=O)Nc3ccccc32)S(C)(=O)=O)cc1 408921121 DPMPUFDHSRMSRO-CYBMUJFWSA-N 430.486 1.712 50 40 IDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1cccc([N+](=O)[O-])c1 408676094 AANDVURXNBYSKN-SLQSZJTJSA-N 439.218 1.648 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)cc1 408869702 SXFFIRQPHFAOJK-MSXFZWOLSA-N 427.461 1.065 50 40 IDGB CN(CC(=O)OCC(=O)NNC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 8938651 KWMVBAUOZRKNDN-UHFFFAOYSA-N 445.906 1.026 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 8991206 RKFITUOXDYWMMC-IYVNWDGISA-N 449.872 1.730 50 40 IDGB COc1cc(C(=O)NCC(=O)NNC(=O)CSc2ccc(C)cc2)cc(OC)c1OC 12673487 XISKXSZVKPDMCE-UHFFFAOYSA-N 447.513 1.690 50 40 IDGB COc1cc(/C=N\NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OCCc1ccccc1 31858852 LKLAIKKUFXRIFM-UCQKPKSFSA-N 437.456 1.171 50 40 IDGB COc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc(OC)c1OC 33768177 CQOKASZFZYIFCZ-NDENLUEZSA-N 427.523 1.757 50 40 IDGB CC[C@@](C)(CC(=O)O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16481805 FYERTXDCFBPOLD-LJQANCHMSA-N 425.507 1.513 50 40 IDGB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H](C)Oc3ccccc3F)C2=O)cc1 23805757 UURVCHJSQBPSGR-FPTDNZKUSA-N 442.447 1.516 50 40 IDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc2sc(=O)oc12 33959717 SFFITFFIESGBIN-DNTJNYDQSA-N 428.405 1.806 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)NCc1ccco1 58880705 LHKKNKWVUUIZIX-ZVHZXABRSA-N 426.473 1.828 50 40 IDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409154257 KCOOIPGEJFUCFG-OEAKJJBVSA-N 440.456 1.022 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2nc3ccccc3o2)cc1 13134893 MIKQUKFHYRUVJQ-UHFFFAOYSA-N 448.526 1.696 50 40 IDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1cccc([N+](=O)[O-])c1 408676088 AANDVURXNBYSKN-DKJTXKKOSA-N 439.218 1.648 50 40 IDGB COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC 408837683 LGCKTOVGBODXIL-BUVRLJJBSA-N 441.484 1.634 50 40 IDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)cc1 2329547 STWOBSZIJFNSJF-SRZZPIQSSA-N 427.469 1.237 50 40 IDGB CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)NNC(=O)COc3ccccc3)n2)cc1 408639135 VIQVKHDEWWTCDV-UHFFFAOYSA-N 440.485 1.749 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)c(OC)c1 408773718 WVDOECKEUDTHGR-RGVLZGJSSA-N 437.474 1.334 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409159213 ZMTSHRATPCRIDJ-ZMOGYAJESA-N 442.472 1.234 50 40 IDGB O=C(N/N=C/c1ccccc1OCC(=O)N1CCOCC1)C(=O)Nc1ccccc1Cl 409165760 BGDVGGYPVJUEKK-YDZHTSKRSA-N 444.875 1.666 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1-c1cccs1 1898056 IEQQSZLGNMGFHE-QGMBQPNBSA-N 425.390 1.633 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2cccc(O)c2)nnn1-c1nonc1N)C1CCCCC1 2596317 RSLYKCNOWGNSIN-SSDVNMTOSA-N 439.480 1.467 50 40 IDGB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1ccc(Br)cc1)C2=O 3419396 ZXPBOVROVPLHLV-BBATYDOGSA-N 437.294 1.711 50 40 IDGB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 9671860 JBFVEHJFHPTHCQ-UHFFFAOYSA-N 438.889 1.817 50 40 IDGB Cn1c(CC(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)nc2ccccc21 9910517 LULUUMKIQKCFSQ-SFHVURJKSA-N 445.479 1.898 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)cc1 12530494 IMJMHHNXZNJWOD-UHFFFAOYSA-N 427.486 1.467 50 40 IDGB Cn1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc21 24320077 OSWQNTGLNKRFAW-HSZRJFAPSA-N 431.452 1.333 50 40 IDGB O=C(N/N=C1/C(=O)Nc2ccc(Br)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] 28294798 LQGYWLNMPMFLGN-UHFFFAOYSA-N 432.190 1.768 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2c1=O 72284163 YDYWQTMWZRGJAQ-XMMPIXPASA-N 449.511 1.205 50 40 IDGB O=C(NN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccncc1 100843019 YAIDQIHHDYYVBM-IQMQYZSSSA-N 443.095 1.504 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1OC 408771645 IKWLMFKJKCBWGY-CIAFOILYSA-N 449.485 1.545 50 40 IDGB CCOC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1 1516835 BGMMBQJDSXHJLQ-LJLZWOEMSA-N 429.501 1.901 50 40 IDGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 9514288 GDXNQWXDCKQOJR-UHFFFAOYSA-N 444.513 1.495 50 40 IDGB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCCC(=O)NN)cc1 12461987 NYWNHDFHQLVCGA-UHFFFAOYSA-N 437.504 1.212 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1csc(N2CCOCC2)n1 12991547 DCHHEGYYXRUYTF-UHFFFAOYSA-N 447.336 1.366 50 40 IDGB COc1ccc([C@@H]2[C@@H](C)[C@@]3(NC(=O)CCl)NC(=O)[C@@](C#N)([C@H]3C)C2(C#N)C#N)cc1 252430959 VVWCECFBBRZHIO-UTEYHMASSA-N 425.876 1.789 50 40 IDGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408973257 KVOWCDNMMVRINU-UMXKZIAQSA-N 427.373 1.675 50 40 IDGB C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1ccc(Br)cc1)CS2 12883559 YAFOHUFMSZFMEQ-MLGOLLRUSA-N 428.308 1.429 50 40 IDGB O=C(CCOc1ccccc1F)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15948232 PDRCANAHZIWRDB-UHFFFAOYSA-N 435.477 1.840 50 40 IDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 9234338 PPNWJYGYBPFDHC-PLRJNAJWSA-N 440.456 1.329 50 40 IDGB O=C(COC(=O)CCNS(=O)(=O)c1cccs1)NNC(=O)c1ccc(Cl)cc1 9671825 UUBNCEMGNTWECS-UHFFFAOYSA-N 445.906 1.074 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)Nc1ccccc1 409150253 BAZOLQIPWLXIIL-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB CNC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 20170864 MVOIHKPNKPNRBR-HMMYKYKNSA-N 442.523 1.978 50 40 IDGB Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)o1 15427452 UHZRJRSCYYKCLM-UHFFFAOYSA-N 430.486 1.630 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)c1-c1ccc([N+](=O)[O-])cc1 101067610 FLHQCOUOQOKTQB-CUANDEHCSA-N 435.404 1.736 50 40 IDGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCC(C(=O)OCC)CC2)nc2c(C)cccn2c1=O 13806935 DVJZSVBRDWVZTA-NBVRZTHBSA-N 449.511 1.992 50 40 IDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cccc(OCC(=O)O)c1 408720082 XINFYKDREOZVNN-AFPJDJCSSA-N 435.400 1.282 50 40 IDGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 409160061 SHLLNDHOFCDRJE-CVKSISIWSA-N 440.500 1.757 50 40 IDGB Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 12475137 PDUIIDUKAMKKAL-HNNXBMFYSA-N 439.925 1.737 50 40 IDGB CC1CCN(Cc2c(C(=O)N/N=C/[C@@H](C)c3ccccc3)nnn2-c2nonc2N)CC1 13659385 UFMCUZQRXBQBTC-AQXNZCSYSA-N 437.508 1.984 50 40 IDGB CCOc1ccc(NC(=S)NNC(=O)Cn2ncc3ccccc3c2=O)c([N+](=O)[O-])c1 14944536 OMXHFDJPXWMLPV-UHFFFAOYSA-N 442.457 1.721 50 40 IDGB CN(C)c1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 36270093 QQNQZBKOGXRRKK-HAVVHWLPSA-N 444.557 1.856 50 40 IDGB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408688181 WIVREZIICNKDMY-LFYJYPCRSA-N 439.295 1.942 50 40 IDGB NC(=O)N/N=C/c1cc(I)cc(I)c1O 409384000 URSRIPCGBATCLM-KGVSQERTSA-N 430.971 1.604 50 40 IDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1I 3080151 XELFUGFIGWSDII-QGMBQPNBSA-N 427.198 1.773 50 40 IDGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)N1CCCCC1 8449859 RNIBTTRSOQGBAY-NNHPCIIKSA-N 448.155 1.777 50 40 IDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1O 109323042 GMHFKNGFYWHQBM-QOJWJBQSSA-N 445.229 1.770 50 40 IDGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408780947 ODLCXHGQWIGPLS-MTJSOVHGSA-N 430.442 1.118 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2ccccc21 9358957 JYHGXZGXWYSHJQ-BSYVCWPDSA-N 440.412 1.712 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 12863465 ZVBLJCUQROQIBZ-JOCHJYFZSA-N 440.456 1.240 50 40 IDGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCC(C)C)cc2)c1 223155132 DQAVWKDMQUTGOQ-CFRMEGHHSA-N 426.473 1.935 50 40 IDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 409253933 HACSVMSPRJZRTB-FRQJIFLKSA-N 440.500 1.755 50 40 IDGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3F)c2=O)=C(C(N)=O)[C@@H]1c1ccccc1F 989360 ZDEHYROCIDEIFZ-JDZKTDJGSA-N 436.443 1.101 50 40 IDGB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NNC(=O)c1ccc(F)cc1 9907301 CEOIJUFAFRQYJO-UHFFFAOYSA-N 432.427 1.091 50 40 IDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc([N+](=O)[O-])c1 59246693 UUKMBDLMEWJXSV-XKZIYDEJSA-N 428.445 1.965 50 40 IDGB O=C(c1cccc(B(O)O)c1)N1CCC[C@H](N2CCC3(CC2)C(F)(F)C32CCC2)C1=O 2087120858 FGFNKOAVKYGMOG-KRWDZBQOSA-N 432.276 1.399 50 40 IDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668258 VFULVCGQEWCTKF-WAARBJQMSA-N 441.484 1.047 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 409027915 IPJXKWYIDMLLCV-YBFXNURJSA-N 436.446 1.528 50 40 IDGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1I 409229536 QUEQZKBJKJZKBJ-YHYXMXQVSA-N 443.197 1.335 50 40 IDGB O=C(Cn1cnc2ccccc2c1=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 16525237 JDLROADEIBLPQH-UHFFFAOYSA-N 426.230 1.632 50 40 IDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1 409257920 URTMYFYKCORLJM-MFKUBSTISA-N 438.484 1.463 50 40 IDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(C)c(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)c1 16347090 FSUWOHSJOHZMPG-XFQWXJFMSA-N 442.435 1.580 50 40 IDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332909 IUWMXNPPXWLHGJ-IZCWFJBTSA-N 441.477 1.719 50 40 IDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)cc1 58873343 HBNISXWQYSQWJE-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 9140614 XZNPUOSVEUZBCX-PXLXIMEGSA-N 445.497 1.633 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 16321278 ILLBGDKRCBJHLE-YBFXNURJSA-N 433.446 1.324 50 40 IDGB Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 25166236 NRNIMNIFCDDHKY-UHFFFAOYSA-N 445.541 1.718 50 40 IDGB COc1cc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc(OC)c1OC 38165751 GQVJYTWEHRDIIP-RAXLEYEMSA-N 441.400 1.349 50 40 IDGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 45592841 IYVWWBIIPARJIN-UHFFFAOYSA-N 433.424 1.415 50 40 IDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(C)(=O)=O 408783868 NZURVNQJYDMPKG-CIAFOILYSA-N 433.486 1.845 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 409171002 YFQRPBWCDVTQIW-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc(Br)cc1 8825474 LKITYOPENOFLJX-UHFFFAOYSA-N 445.067 1.996 50 40 IDGB COc1cccc(/C=N/NC(=O)CC(=O)N/N=C/c2cccc(OC)c2OC)c1OC 9891851 HJMIFMIOAFGOCK-FWSOMWAYSA-N 428.445 1.712 50 40 IDGB Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] 14186044 KJXXHYGZOQOZKI-LPYMAVHISA-N 426.429 1.905 50 40 IDGB COc1ccc(C(=O)NN(C(C)=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 100126555 SINKSMBHFFZRQY-MRXNPFEDSA-N 429.404 1.668 50 40 IDGB CN(CC(=O)NNC(=O)c1cn(C)c2ccccc12)S(=O)(=O)/C=C/c1ccccc1 10736744 KAZVYIOEYKHYPV-OUKQBFOZSA-N 426.498 1.872 50 40 IDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)NCc2ccccc2OC)c1 101539177 WRDLNHYSHNPFGE-AFUMVMLFSA-N 442.472 1.850 50 40 IDGB COc1cc(OC)cc(-c2nc(SCC(=O)NNC(=O)COc3ccccc3)n[nH]2)c1 408637382 JOHDXPWEQGACKK-UHFFFAOYSA-N 443.485 1.807 50 40 IDGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccccc1Cl 408730899 JYQZNSBCTHDAGV-CNHKJKLMSA-N 433.837 1.338 50 40 IDGB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1cc2c(s1)CCCC2 12973602 LBXIYEVIOILZIC-NSHDSACASA-N 425.507 1.894 50 40 IDGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 16044714 MKJUKKCIXGURFF-UHFFFAOYSA-N 431.514 1.874 50 40 IDGB CCn1ncc(NC(=S)NNC(=O)CC23C[C@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1C 102645014 MVBZXXCFSCBXAC-SNEKZUEESA-N 443.581 1.901 50 40 IDGB CCCCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1 409165487 YPJCJGVIAGCNAD-GIJQJNRQSA-N 433.246 1.762 50 40 IDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc([N+](=O)[O-])c1 857161 YCADALZMRDCHGA-CQSZACIVSA-N 433.218 1.924 50 40 IDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)Cn1nnc2ccccc2c1=O 16178631 GXCKSYHSCKFIDN-UHFFFAOYSA-N 429.436 1.685 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 20207771 KULAQIMCSUCWKL-CIAFOILYSA-N 433.486 1.463 50 40 IDGB Cc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2)sc2nc3n(c(=O)c12)CCC3 9633521 QKLUSVNONXZHDO-UHFFFAOYSA-N 426.454 1.331 50 40 IDGB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 24455691 ABPNIPYAIPHFAM-RUMSDORHSA-N 426.498 1.837 50 40 IDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1 408872976 QCPSDZGPHRXBOW-WXUSHSQQSA-N 430.486 1.902 50 40 IDGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 20209965 KPDJPHHVTQZAOU-KGENOOAVSA-N 433.486 1.773 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)NC[C@H]1CCCO1 58881038 QJKHTUXIUTVDGY-QZUPYORJSA-N 442.447 1.589 50 40 IDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2OC)c1 409171979 ABVQLNYVUIZFJY-FSJBWODESA-N 442.472 1.696 50 40 IDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(Br)o1 21968161 ZXHTWEHSJGXVFL-SECBINFHSA-N 428.214 1.526 50 40 IDGB COc1cc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)ccc1O 409058596 TVZBMQZDZQGYOH-MSXFZWOLSA-N 433.424 1.899 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 409385855 KNNQWKTYXFUFIF-RXRVUPSGSA-N 425.397 1.337 50 40 IDGB CCn1c(NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc2c1=O 9857170 ONMPHJFJTFXZJX-UHFFFAOYSA-N 441.513 1.958 50 40 IDGB CCOc1ccc(N([C@@H](C)C(=O)NN=C2C(=O)Nc3ccccc32)S(C)(=O)=O)cc1 408921123 DPMPUFDHSRMSRO-ZDUSSCGKSA-N 430.486 1.712 50 40 IDGB CCOc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 9345452 NCDPGUDMAGMYMV-HVVQPJKBSA-N 430.482 1.873 50 40 IDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc(OC)c1OC 2245881 KZXNDVNATFVGLH-LJQANCHMSA-N 440.500 1.962 50 40 IDGB Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccc21 22903463 SMNNOUBALHCBSU-UHFFFAOYSA-N 443.437 1.927 50 40 IDGB O=C(COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1Cl 408663909 POPBGVKVKHFVLP-UHFFFAOYSA-N 448.819 1.971 50 40 IDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1OC 2272648 MRJCZTZCDMMDOO-AUEPDCJTSA-N 445.428 1.299 50 40 IDGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@]12C(=O)Nc1cc3c(cc12)OCCO3)OCO4 9128939 IBYYSKYGXOYHJI-XMMPIXPASA-N 442.431 1.983 50 40 IDGB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 14290987 NEKWZVFNUJAUAE-VQIMIIECSA-N 444.463 1.781 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409152544 FOSNXXSHSOBPJV-AUEPDCJTSA-N 432.864 1.871 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 409169175 PLVYDKTXWNOHTN-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2OC)c1 409259498 ZSHBCFIWSRKTCB-FSJBWODESA-N 440.456 1.450 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N)c1ccccc1 2416221 HTVRIDNHALOXOB-FOKLQQMPSA-N 435.423 1.772 50 40 IDGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)c2ccccc21 2262984 ZTBSBKQZZMNVIG-JOCHJYFZSA-N 441.440 1.022 50 40 IDGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)n(C)c1 29708846 HDWAKTIPKWMHJN-UHFFFAOYSA-N 433.515 1.440 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1Cl 39986734 LWNFCPCRHBJIQW-UKWGHVSLSA-N 439.877 1.848 50 40 IDGB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NNC(=O)c1nnc(-c2ccccc2)o1 64490609 DVFOODWQGNQSIO-UHFFFAOYSA-N 435.849 1.836 50 40 IDGB CCOc1ccc(OCc2ccc(C(=O)NN[C@H]3CC(=O)N(CCOC)C3=O)cc2)cc1 95351766 STZFWSFGXFILBG-FQEVSTJZSA-N 441.484 1.673 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C 409158437 YEYSUIJEJBKFST-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(CCC#N)c2ccccc21 2430962 IWXJTBHCDSCOPP-KFABAOMTSA-N 431.452 1.605 50 40 IDGB O[C@@H]1[C@H](CI)O[C@@H](Oc2ccc(Br)cc2)[C@H](O)[C@@H]1O 8740200 KMKUGSBGWATLAO-VSSNEEPJSA-N 445.047 1.071 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1OC 408777273 XKEIGPCNFNPNSI-RGVLZGJSSA-N 435.458 1.318 50 40 IDGB COC(=O)c1ccccc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 9422554 RXVVZVUKDKMTOA-ATTDUZETSA-N 429.454 1.165 50 40 IDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12815356 FLTDKQFOHMMQQW-UHFFFAOYSA-N 425.894 1.739 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1C 13006589 HGNDIOFVMOMIGA-OAHLLOKOSA-N 437.493 1.678 50 40 IDGB COc1cc(OC)cc(C(=O)NCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1 11667584 KSWLCNYLUIYKKU-FOKLQQMPSA-N 431.445 1.610 50 40 IDGB CN1C(=O)C(=O)N(Cc2ccc(C(=O)NNC(=S)Nc3ccccc3F)cc2)C1=O 28617626 DGXPCPPVFVDCMQ-UHFFFAOYSA-N 429.433 1.378 50 40 IDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 408531479 GWVIZDSCKCUWRH-UMXKZIAQSA-N 429.776 1.863 50 40 IDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O 408786804 WEYVMOREQWIVRB-AWQFTUOYSA-N 439.877 1.994 50 40 IDGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408610110 MILIBDHNSKNQKB-CVKSISIWSA-N 440.500 1.757 50 40 IDGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3554503 IELSRRKMYFUFIN-IZZDOVSWSA-N 444.469 1.854 50 40 IDGB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 21166582 SLNGLBYDRVTLER-INIZCTEOSA-N 425.441 1.443 50 40 IDGB Cn1c(=O)c2ncn(CC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)c2n(C)c1=O 33039592 KQWHHNIFXWOGQK-ROTLSHHCSA-N 446.467 1.163 50 40 IDGB CC(=O)N1C(=O)[C@]2(c3ccccc31)c1cccc3c1C(=C1C(=O)OC(=O)[C@@H]12)C(=O)N3C(C)=O 103999305 UUAZDPSHVKNFFN-NTKDMRAZSA-N 442.383 1.226 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 16321318 JMXJAJKVJXYDAY-YBFXNURJSA-N 433.446 1.324 50 40 IDGB N#Cc1ccc(NC(=O)NNC(=O)CCCC(=O)NNC(=O)Nc2ccc(C#N)cc2)cc1 104081995 BJCWRWQBIQHPMC-UHFFFAOYSA-N 448.443 1.606 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 409168418 MGHFYZUFQBGKIR-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1511304 BXPPYNYPZAEMMZ-UHFFFAOYSA-N 439.493 1.891 50 40 IDGB COCCCn1c(C)nnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 12475151 NQRNWCZOZLWPAX-UHFFFAOYSA-N 427.914 1.595 50 40 IDGB O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)CO/N=C/c1ccccc1Cl 13940083 MREIEHMNEWCACM-SSDVNMTOSA-N 428.832 1.524 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 109405671 ZPXNQHWPDLNZQH-FZJZADEZSA-N 435.440 1.958 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 408857156 JTUZMYHBTIQTNU-VMHRPQTGSA-N 425.441 1.214 50 40 IDGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(C)(=O)=O 408908765 YOKQQUWFTDYUTE-HYARGMPZSA-N 432.502 1.960 50 40 IDGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OC(C)=O 2379138 MQASKXKCBFMTCU-DNTJNYDQSA-N 428.409 1.054 50 40 IDGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 2379893 KTVQPLWFMYECPK-UFWORHAWSA-N 439.417 1.942 50 40 IDGB COc1ccc(OC)c(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 9422534 XAYNKHBVCDNJPN-YDRQLGOLSA-N 431.470 1.396 50 40 IDGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 38160561 OJHAUBVDPXEREB-CNHKJKLMSA-N 446.767 1.666 50 40 IDGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 72411029 UDZJSOGCEGOWNH-JOCHJYFZSA-N 431.383 1.534 50 40 IDGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc2)cc(OC)c1OC 107655560 YPBDSWQVBMEDAC-HJWRWDBZSA-N 443.412 1.367 50 40 IDGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccncc1 245285627 YAIDQIHHDYYVBM-UCFKJQRDSA-N 443.095 1.504 50 40 IDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCCCC3)o2)cc1 408791472 ZDESIFZBIUPPRW-HMAPJEAMSA-N 446.529 1.919 50 40 IDGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334372 BMEYFPHWAAKQIR-WZUFQYTHSA-N 444.225 1.847 50 40 IDGB O=C(CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)N1CCCCC1 408667063 AZDROQIQRMHQQS-IWDIQUIJSA-N 436.144 1.921 50 40 IDGB Cc1c(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(=O)n(-c2ccccc2)n1C 408688249 QGKSGEXCNKGGNG-QKEJGYSESA-N 446.301 1.994 50 40 IDGB O=C(NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1ccc2c(c1)OCO2 12912786 OVPXGISYIGIREW-UHFFFAOYSA-N 444.403 1.483 50 40 IDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1CC(=O)OCC 6546066 KOQIYNNXLFCUNL-QHCPKHFHSA-N 435.436 1.256 50 40 IDGB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)C2=O)cc1 23805755 UURVCHJSQBPSGR-PEBXRYMYSA-N 442.447 1.516 50 40 IDGB O=C(NNC(=O)c1ccc[nH]c1=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 14253015 QWOCMQDEJFUWPB-UHFFFAOYSA-N 446.872 1.904 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)c(OC)c1 16291211 RSISMVVDGKCZCG-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 18191684 YPHWBCNEAXQEBJ-UHFFFAOYSA-N 435.465 1.750 50 40 IDGB O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21 100401688 NKXXPKHJXCNATC-HIXSDJFHSA-N 428.876 1.876 50 40 IDGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC)cc1 408613418 ZQFQFDXCLXOYHN-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB O=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 102971852 GPTGDDCPPYDQDC-CKEIUWERSA-N 438.575 1.005 50 40 IDGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409250519 MRDMGLFEHAKQMO-ZVHZXABRSA-N 438.484 1.630 50 40 IDGB O=C(NNC(=O)c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 3396133 LZTJPOLENNJLAL-UHFFFAOYSA-N 439.493 1.936 50 40 IDGB CO[C@H]1O[C@@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5004696 WJJWINBQQUIINH-JMIFQINSSA-N 445.262 1.842 50 40 IDGB C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12775400 TVXQYNVXSKICQJ-JTQLQIEISA-N 441.410 1.909 50 40 IDGB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 14290988 NEKWZVFNUJAUAE-QFBILLFUSA-N 444.463 1.781 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OCC)c1 409163965 AJYYOHYZZYRSOC-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB CC(=O)Nc1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 9423536 LYCCFMLPQJEQMC-PMFHANACSA-N 428.470 1.337 50 40 IDGB CCOC(=O)c1ccccc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 102676018 BLQDODBRNMPJKB-SWEABUAFSA-N 443.481 1.555 50 40 IDGB COc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1 408643623 AZMACDYHDHKEGB-CQSZACIVSA-N 445.859 1.706 50 40 IDGB O=C(COc1ccc(Cl)cc1)NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 2352872 OKPPXKLUXBZLKX-HNNXBMFYSA-N 431.832 1.443 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408872910 LEAXFUXALNSJNV-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409150378 BNAAKCSGASTVEZ-WYMPLXKRSA-N 446.891 1.879 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409171046 YWJYLASVFGIREC-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB CO[C@H]1O[C@@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 5004697 WJJWINBQQUIINH-WXQHOCMDSA-N 445.262 1.842 50 40 IDGB O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1COc2ccccc2O1 15795199 HBQJYVMVCFJPCV-HNNXBMFYSA-N 434.246 1.166 50 40 IDGB COc1ccc(N2C(=O)NC(=O)/C(=C/NNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 408536059 VMZVMGNXTDMYEI-PDGQHHTCSA-N 438.484 1.999 50 40 IDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1OCCO 408719544 NRSWFEUXIANYIR-RGVLZGJSSA-N 445.277 1.624 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1I 19644219 OZBOBTNSBNAZSI-GHMZBOCLSA-N 446.241 1.952 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(O)cc1 20502224 TZLKHXVTAULLJA-YDZHTSKRSA-N 447.459 1.729 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(OC)cc1 409164653 LNMHQKCYMXCLFC-FSJBWODESA-N 428.445 1.308 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409176017 XAJDRRHBBKJWJO-UFFVCSGVSA-N 433.262 1.663 50 40 IDGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 24778759 KRTCGWNFRQKCAG-UHFFFAOYSA-N 427.457 1.803 50 40 IDGB CCn1c(NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)nc2ccccc2c1=O 32863468 MJANBHXDVHBCPU-QHCPKHFHSA-N 446.467 1.253 50 40 IDGB COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)cc1 409055165 KDYSFBIMVPLJHY-MXAYSNPKSA-N 445.435 1.972 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)nnn2-c2nonc2N)c1 13804729 QOCCBNGNXNDWQA-LSFURLLWSA-N 448.399 1.401 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(F)c1 33431891 GOUUNGNZNXNUGJ-ZFWWWQNUSA-N 431.445 1.899 50 40 IDGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc(OC)c1OC 35973952 NNHSTPHHLLNWTM-ZVBGSRNCSA-N 432.389 1.206 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc(OC)c1OC 409149191 YXHSOIWPYSEHBV-SRZZPIQSSA-N 439.465 1.768 50 40 IDGB CN(CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 12785102 FMZIHXQNURRNFP-UHFFFAOYSA-N 434.905 1.832 50 40 IDGB CC(=O)Nc1cccc(-c2nc(SCC(=O)NNC(=O)COc3ccccc3)n[nH]2)c1 408636966 DQKNIZCOGQZBPE-UHFFFAOYSA-N 440.485 1.749 50 40 IDGB Cc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)cc(S(N)(=O)=O)c1C 27745530 UBAGRXODFNSIAN-UHFFFAOYSA-N 426.292 1.788 50 40 IDGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccco2)c(OC)c1 408922926 HRLGQELUWVETEF-SKFLCBSZSA-N 442.428 1.618 50 40 IDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 409025907 ABKCTPOMHYQSGG-UDWIEESQSA-N 431.430 1.413 50 40 IDGB COc1cccc(/C=N/NC(=O)CN2CCOCC2)c1OCc1ccc(C(=O)O)cc1 409187572 RZRITUHHSBZFCG-YDZHTSKRSA-N 427.457 1.755 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccsc2)c1-c1ccc([N+](=O)[O-])cc1 1897204 XBZHGYHUZUJUEB-CNHKJKLMSA-N 425.390 1.633 50 40 IDGB Cc1ccc(S(=O)(=O)/C(C#N)=C\NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 17223447 WACRWXVZEBPFDD-WJDWOHSUSA-N 436.540 1.768 50 40 IDGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\NC(=O)C[C@@H](N)C(=O)O 104087678 XVOGZNZTINJLKO-RRSAXVHRSA-N 435.308 1.240 50 40 IDGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCOCC1 409013570 MUHCHJLNFAWJLV-XKZIYDEJSA-N 442.428 1.605 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 882842 FOHRIYWXIKTXKV-UHFFFAOYSA-N 441.506 1.624 50 40 IDGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3cccnc3)nnn2-c2nonc2N)cc1 2331031 SKUKUBNACXCUGL-FSJBWODESA-N 433.432 1.847 50 40 IDGB COCCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 5022005 VRURVKUCJHMZNU-ZXYGXNQISA-N 425.489 1.286 50 40 IDGB N#CC(C(=O)COC(=O)CCNS(=O)(=O)c1cccs1)=C1Nc2ccccc2N1 8746199 HOLQYBQBYMTJFO-UHFFFAOYSA-N 432.483 1.802 50 40 IDGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 13097468 SJVPYMKUHKRAPH-UHFFFAOYSA-N 441.465 1.652 50 40 IDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1cccc(C(F)(F)F)c1 16248256 HHIUMXCFRATZJI-UHFFFAOYSA-N 440.403 1.944 50 40 IDGB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1 17102006 DOXQLNGITRWBGQ-PDGQHHTCSA-N 438.400 1.464 50 40 IDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)OC3)c2ccccc21 20725592 PYPYBVLIXJYSFC-RUZDIDTESA-N 438.443 1.938 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1C 409171072 YYWAFNONNFQAHL-FSJBWODESA-N 426.473 1.996 50 40 IDGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)NC(N)=O 409253573 ZVQUETUFZVZSEW-BHQIHCQQSA-N 436.003 1.861 50 40 IDGB Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2Cl)nc2ccccc21 9662006 BLRLUNIZQGMBRE-UHFFFAOYSA-N 434.905 1.781 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1 17058478 HTDLBLKQMCIKAN-UHFFFAOYSA-N 435.502 1.450 50 40 IDGB CSc1nc2nc(C)c(CC(=O)NNC(=O)c3cc(Br)c[nH]3)c(C)n2n1 28080453 WCEARFTUTDSYAS-UHFFFAOYSA-N 438.311 1.557 50 40 IDGB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 408533005 NTIIKSYMMCXORB-XNTDXEJSSA-N 437.412 1.921 50 40 IDGB O=C(CSc1ncn[nH]1)NNCc1cc(Br)c(O)c(Br)c1 1100789 LVYDXVWZWFMNRA-UHFFFAOYSA-N 437.117 1.948 50 40 IDGB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CSc3cccc4cccnc34)ccc21 9885385 VGEHAEPSRRHHDY-UHFFFAOYSA-N 449.492 1.811 50 40 IDGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)C[C@@H](C)O1 13659537 QPHJKXDBNRWZAL-NNNXKQPSSA-N 437.500 1.510 50 40 IDGB CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O 408658212 IHPIIHOSFUOQFM-GOSISDBHSA-N 437.452 1.846 50 40 IDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 13777660 NVSGBERGPFYCFI-ZMOGYAJESA-N 445.472 2.000 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC 16186988 USYNHKRCHBDJFU-YBFXNURJSA-N 436.446 1.383 50 40 IDGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2c[nH]c3ccccc23)nnn1-c1nonc1N 43756668 RMKRWYIKTOHVTD-PMZVSURPSA-N 448.491 1.852 50 40 IDGB O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3293660 AROJSOHCGIJLQF-UHFFFAOYSA-N 439.493 1.936 50 40 IDGB O=C(NNC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccccc1Br 10962999 NNYYRFVCFXSHMH-UHFFFAOYSA-N 431.246 1.576 50 40 IDGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409322652 KGEXBEWXCKTNKP-DLBZAZTESA-N 445.497 1.470 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N)C1CCCCC1 2452027 GIQGDXFYHNTRSE-FOKLQQMPSA-N 441.471 1.900 50 40 IDGB COC(=O)C[C@H]1SC2=C(C(=O)N(C)C)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770098 UXHRPHRFENCNFZ-GDBMZVCRSA-N 442.497 1.293 50 40 IDGB CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 4696092 QLJKMHPRAMKGON-UHFFFAOYSA-N 433.549 1.932 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 9499512 BKMOGUNKFHKZBU-SSDVNMTOSA-N 434.416 1.681 50 40 IDGB Cc1nc2c(cc1C(=O)N/N=C/c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C 2286480 OMEBBYABTVSPMC-AWQFTUOYSA-N 430.262 1.467 50 40 IDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1 13011628 SIMAISJUIOKZBU-ZDUSSCGKSA-N 431.445 1.187 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(N(C)C)cc3)CC2)cc1 30735455 KLKCFJROABZSRJ-KQWNVCNZSA-N 443.573 1.518 50 40 IDGB O=C(CNC(=O)c1cccnc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1501326 RTVHBXYUZYGMJG-SLMZUGIISA-N 427.464 1.921 50 40 IDGB COc1ccccc1OCC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408757925 DUSASNVTFJDPEZ-URMYYVDKSA-N 440.481 1.549 50 40 IDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 408876597 PFUNUFQOOYEHQO-LPYMAVHISA-N 446.529 1.506 50 40 IDGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2)c1 409255971 MXAVTYRRGGPZRX-HMHIXTCJSA-N 438.484 1.758 50 40 IDGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC)cc2)cc1 409154755 OIXUBNHAAJUPSF-MFKUBSTISA-N 440.500 1.869 50 40 IDGB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1cc2c(s1)CCCC2 12973600 LBXIYEVIOILZIC-LLVKDONJSA-N 425.507 1.894 50 40 IDGB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1cccs1 21162028 LWXOQPZSECCDKJ-UHFFFAOYSA-N 440.821 1.044 50 40 IDGB CC(C)CC(=O)NNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 21972493 VFCYWIOLQBAEFY-UHFFFAOYSA-N 427.523 1.490 50 40 IDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 58873612 LLMNFCOOXGAWEH-ZMOGYAJESA-N 426.473 1.365 50 40 IDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408611746 RZTDKVRENDZMCD-MMDHUZEPSA-N 440.500 1.755 50 40 IDGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 409223871 GGDREUDTDNSZMB-WZUFQYTHSA-N 440.250 1.892 50 40 IDGB COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1 2332904 OFCIWJJWLNHBII-QYQHSDTDSA-N 433.468 1.525 50 40 IDGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1ccc(I)cc1 13562649 CIFDDCACKMSKTI-LDADJPATSA-N 442.257 1.088 50 40 IDGB CC(=O)Nc1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 12815445 VCWCEJDJFLCBTJ-UHFFFAOYSA-N 438.893 1.380 50 40 IDGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 17410800 IXGJWISADFSKLV-UHFFFAOYSA-N 449.920 1.481 50 40 IDGB O=C(Nc1ccccc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 18193452 HEDMEQYVBLOIAZ-UHFFFAOYSA-N 441.425 1.865 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1-c1ccccc1 38166071 UYTGVXLKEXJBIN-AWQFTUOYSA-N 435.360 1.277 50 40 IDGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 104714787 KDASXIYOGNDZJY-PAAQWSFZSA-N 429.454 1.640 50 40 IDGB O=C(CCNC(=O)c1ccccc1NC(=O)c1ccccc1)NNC(=O)c1ccncc1 2365612 WEHDCFCUWWGQAD-UHFFFAOYSA-N 431.452 1.915 50 40 IDGB CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1=O 24460193 NLPQXOHSRBOFMR-UHFFFAOYSA-N 435.267 1.951 50 40 IDGB CC(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408676128 ACHOQJQOEAJGGK-RZRDZNJRSA-N 437.242 1.909 50 40 IDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1 409263416 KTTFNVZAUGXGCB-YDZHTSKRSA-N 428.420 1.152 50 40 IDGB Cc1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(C)o1 9339499 XTNDOZRDUBPZAC-UHFFFAOYSA-N 441.271 1.510 50 40 IDGB COc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 12815118 SHDBTIRAUIULKB-UHFFFAOYSA-N 441.893 1.439 50 40 IDGB COc1cccc(/C=c2\sc(=O)n3c2=C(C#N)[C@@H](c2cccc(OC)c2)C(C#N)=C3N)c1 13942893 LJDZEIWYYNDBMN-UYNZCYITSA-N 442.500 1.878 50 40 IDGB CCn1nc(C(=O)NNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c2ccccc2c1=O 14221537 XJHPWMHSQGNQDJ-OAHLLOKOSA-N 433.468 1.769 50 40 IDGB COc1cccc(N2C(=O)C[C@H](NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 2334434 QBJUJMJBODXNSO-HNNXBMFYSA-N 429.429 1.288 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccc(O)cc2)nnn1-c1nonc1N)C1CCCCC1 2604895 BTKCXXKARWLQSX-SSDVNMTOSA-N 439.480 1.467 50 40 IDGB CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)N/N=C/c1ccc(O)cc1 95481767 DPAUINYUPPZBII-FYJGNVAPSA-N 432.502 1.303 50 40 IDGB CC(=O)Nc1cccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 103519081 BDPXXAVEYHFCNP-VHWUNXFSSA-N 428.470 1.337 50 40 IDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc(OC)c1OC(C)=O 408978179 YQPQDZXPFGHIQH-LSHDLFTRSA-N 442.407 1.572 50 40 IDGB COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1 1249307 UXWWRYFIGZADSL-UHFFFAOYSA-N 431.246 1.660 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 3109827 JTXVDAOMVZDDOX-UHFFFAOYSA-N 447.513 1.953 50 40 IDGB O=C(NNC(=S)NC(=O)c1ccc(I)cc1)c1ccncc1 32118722 MNDOHHZNIWLAAZ-UHFFFAOYSA-N 426.239 1.636 50 40 IDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccccc1Cl 408655168 LDWPGPNYEAHPMD-LBPRGKRZSA-N 433.823 1.836 50 40 IDGB C/C(=N\NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1nonc1C 8856230 IUXBGUJZNYOLAR-QVHMZZSFSA-N 445.439 1.626 50 40 IDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCNS(=O)(=O)c3cccs3)ccc21 9883409 ZUBXAPGSJUOGCN-UHFFFAOYSA-N 435.531 1.556 50 40 IDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)cc1 58881951 YSKQYOXJQUKBMC-WSDLNYQXSA-N 427.413 1.504 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)c2ccccc2c1=O 72284179 KCSXHOWBUUAMOO-PXNSSMCTSA-N 448.483 1.182 50 40 IDGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3I)no1 102645692 KOOLQKCJSPDSIO-LGHQWOBVSA-N 446.197 1.076 50 40 IDGB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=O)c1ccc([N+](=O)[O-])cc1 408533201 OGDOSPJKPYNQBL-FMIVXFBMSA-N 429.776 1.650 50 40 IDGB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408690052 ZMFBUIIUBQMSNJ-HRTQJFGHSA-N 436.258 1.942 50 40 IDGB COc1ccccc1OCC(=O)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408757929 DUSASNVTFJDPEZ-XHADFYDMSA-N 440.481 1.549 50 40 IDGB NNC(=O)C1=NO[C@H]2COC3(CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)OC[C@@H]12 20218874 ZEIUGERMORURLX-PWSUYJOCSA-N 449.817 1.458 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccc(O)cc2)nnn1-c1nonc1N)c1ccccc1 2430108 CCHDZPBCZUPNKD-SSDVNMTOSA-N 433.432 1.338 50 40 IDGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3nc[nH]n3)s2)cc1 35078257 AWQTYHWASRJKRZ-KEBDBYFISA-N 427.494 1.448 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408528117 AUYFXWOBGVWIHR-UXHMZNKVSA-N 435.440 1.958 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 409176235 ZCDRVNGQZYDFSG-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9661866 SRXJZYDBVBSTOU-UHFFFAOYSA-N 439.472 1.645 50 40 IDGB O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)CSc1ccc(Cl)cc1 9910970 CRTKIGKQFKLBGB-UHFFFAOYSA-N 427.935 1.948 50 40 IDGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12809371 QBOKTWSXOROTGC-UHFFFAOYSA-N 431.514 1.928 50 40 IDGB N#CC1=C(N)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=C(C(N)=O)[C@H]1c1ccc(F)cc1 15023435 UXYVEPPJKHUJAN-NDCSFFLDSA-N 436.443 1.101 50 40 IDGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1cccc(C(F)(F)F)c1 16126722 IXSITUCZUNPBSY-UHFFFAOYSA-N 429.376 1.441 50 40 IDGB C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 32907418 RHAAPTFPJUFPRV-OAHLLOKOSA-N 449.515 1.700 50 40 IDGB N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1cccc(Br)c1 9509226 RDLXSXQSYNCKPV-UHFFFAOYSA-N 431.246 1.277 50 40 IDGB O=C(COC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1)NNC(=O)c1cccs1 9669519 ZHHPNHXSUAMESY-HVHJFMEUSA-N 445.522 1.667 50 40 IDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(O)(c1ccccc1)c1ccccc1 853681 CQADNIOBGAFMLM-UHFFFAOYSA-N 427.438 1.840 50 40 IDGB COc1ccc(CC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 12761497 CGTMLQRXGHEXNW-SFHVURJKSA-N 445.541 1.794 50 40 IDGB COc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1C 8989856 YNBWBOBTJQDIBQ-UHFFFAOYSA-N 436.262 1.931 50 40 IDGB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1Br 9253942 WAAOSXDGESJEEH-UHFFFAOYSA-N 445.229 1.304 50 40 IDGB CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@@H]1[C@H]1[C@@H](OCC)OC(C#N)=C[C@]12C(=O)OCC 39738196 BOAMZUZHABXACO-ZKVCWJDTSA-N 446.456 1.727 50 40 IDGB COc1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1384008 SMWSZVWWMZXBBU-UHFFFAOYSA-N 431.514 1.866 50 40 IDGB Cc1occc1-c1nnc(SCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1C 12785613 VMIMUMAUAQYUPV-OAHLLOKOSA-N 429.458 1.463 50 40 IDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CSC(=S)N2CCCC2)cc1 13131941 SAGWAXVKBLJFSP-UHFFFAOYSA-N 431.561 1.287 50 40 IDGB CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 16693283 ACMHUMAAHVTORY-CIAFOILYSA-N 448.501 1.520 50 40 IDGB O=C(NNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ccc2ccccc2n1 32933177 DFLQCZFNTNZZHN-OXJNMPFZSA-N 436.443 1.339 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)cc1C 408797659 CNDRLYYETWVAEV-MSXFZWOLSA-N 441.488 1.516 50 40 IDGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(N)=O)c(OC)c1)c1ccccc1 408980422 QVIJXOVNYITXQI-PDERCVKFSA-N 442.472 1.887 50 40 IDGB Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 89547868 SSNJYUQPIXCPQH-NSHDSACASA-N 444.435 1.990 50 40 IDGB O=C(COc1cccc2ccccc12)NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 100126543 OUYVUFLQOLQTST-GOSISDBHSA-N 447.447 1.943 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 409160617 UYJKRSYTAMAEQU-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1 2343610 VUPWEQGJRJQYDC-SSDVNMTOSA-N 432.400 1.450 50 40 IDGB COc1cc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc(OC)c1 8993260 RPEQSTZPYZTEGU-ZHZULCJRSA-N 426.473 1.541 50 40 IDGB CC(C)CC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 14184013 AEVZPPMSJYTFLL-HNNXBMFYSA-N 434.356 1.946 50 40 IDGB CCn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2ccccc2c1=O 17189820 VDFGMVYUTJKWBO-HNNXBMFYSA-N 439.497 1.544 50 40 IDGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 30742545 KBEPJFZBYYRGLB-JCMHNJIXSA-N 430.530 1.460 50 40 IDGB N#CC(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)=C1Nc2ccccc2N1 9217722 PZQXXFGHJNLHTR-UHFFFAOYSA-N 447.363 1.576 50 40 IDGB CCc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 12871323 FOBHHSMODYEQKX-UHFFFAOYSA-N 437.543 1.657 50 40 IDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 14232404 MKTNVDPVYLGDSZ-UHFFFAOYSA-N 436.468 1.744 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)c1 59516068 XMMJMSALZKFETA-ZVHZXABRSA-N 429.473 1.920 50 40 IDGB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 408535018 XCZXDEFPVULTGA-MHWRWJLKSA-N 437.412 1.921 50 40 IDGB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 408648497 YSLCBEAZLCWECR-UHFFFAOYSA-N 427.413 1.196 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 409166640 DLPUZIOOIDVFNN-DHRITJCHSA-N 446.891 1.248 50 40 IDGB COc1nc(Oc2cccc(/C=N/NC(=O)c3nonc3N)c2)nc(N2CCCCC2)n1 16248188 CSUGEDDUJWOBFM-SRZZPIQSSA-N 439.436 1.392 50 40 IDGB Cn1cc(Br)cc1C(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 18234279 QULOOUVAUJUOMD-RYUDHWBXSA-N 425.283 1.114 50 40 IDGB COc1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c(OC)c1 101478761 YRHIRKVUEIZZEE-ATTDUZETSA-N 431.470 1.396 50 40 IDGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408534608 MKJHLTPFXXIMLU-IXJMWADBSA-N 425.357 1.218 50 40 IDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)NCc1ccccc1 409253675 BPGXYMHTRFLXGC-YMSFFTPVSA-N 438.484 1.127 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1-c1ccc([N+](=O)[O-])cc1 1876706 YMDZNKPQVBORLN-QGMBQPNBSA-N 425.390 1.633 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1O 19826485 IBZYEQFZSZUPJP-ZVHZXABRSA-N 426.517 1.986 50 40 IDGB COc1ccc([C@H]2[C@H](C)[C@@]3(NC(=O)CCl)NC(=O)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)cc1 100132183 VVWCECFBBRZHIO-YLGSRSMSSA-N 425.876 1.789 50 40 IDGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409311508 ADGPUJATODUUFL-CVEARBPZSA-N 432.454 1.507 50 40 IDGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl 585079882 NVJPHDKACRSSIZ-KWDLPJBTSA-N 426.882 1.086 50 40 IDGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2663545 VMEFUQKGLNRLKU-UHFFFAOYSA-N 446.437 1.277 50 40 IDGB CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 5409795 KJUJYAAERUTXTH-IAGOWNOFSA-N 449.577 1.832 50 40 IDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc(F)cc1 25782218 MDRAGIJLXRPQMO-NEZKYZOSSA-N 441.471 1.900 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C(=O)O)ccc1Cl 102676044 COSUWERFOPLTLZ-ACLQVGRQSA-N 449.872 1.730 50 40 IDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccnc3)CC2)cc1OC 408970465 INZBYEMNPHLOFD-HYARGMPZSA-N 432.502 1.650 50 40 IDGB COc1ccc(/C=N\NC(=O)CNC(=O)c2ccncc2)cc1I 30731318 IHUFKOVMCGJXCG-UKWGHVSLSA-N 438.225 1.575 50 40 IDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cnn(CCN2CCOCC2)c1 78808956 VKXCATCIDZOFKA-UHFFFAOYSA-N 449.511 1.722 50 40 IDGB N#C/C(C(N)=O)=C1\S[C@H](Cc2cccc(-n3cnnn3)c2)C(=O)N1c1ccc(F)cc1 96306196 BWFZOVBFTNNZCB-PBEQFFAXSA-N 435.444 1.713 50 40 IDGB COCCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)cc2C1=O 12870815 JGCHIHYUNVZBHZ-UHFFFAOYSA-N 441.440 1.411 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 16321284 FDSRFQBPYNFDHO-KEBDBYFISA-N 432.458 1.145 50 40 IDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccncc1 408742238 QDRKNDBWGWOWRD-QOJWJBQSSA-N 446.286 1.624 50 40 IDGB COc1ccc(C(=O)NN(C(C)=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 2422576 SINKSMBHFFZRQY-INIZCTEOSA-N 429.404 1.668 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc(O)cc1 9307434 WQOUCMLMTJUOBO-LSHDLFTRSA-N 448.399 1.488 50 40 IDGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 9633299 GPTGDDCPPYDQDC-VBQJREDUSA-N 438.575 1.005 50 40 IDGB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 12769001 RJLQDOZZFXNEJH-UHFFFAOYSA-N 430.424 1.370 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1I 19644216 OZBOBTNSBNAZSI-QWRGUYRKSA-N 446.241 1.952 50 40 IDGB O=C(NNC(=O)c1cc(F)c(F)c(O)c1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 40158592 BEKLLROZPXTPCC-UHFFFAOYSA-N 443.403 1.669 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OC)c1 409152960 GPIBFYSUDXIWGI-ZMOGYAJESA-N 426.473 1.861 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1O 409273509 YPNKODFRHWWTSU-YFEDRJBBSA-N 433.246 1.760 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(CC(=O)N/N=C/c2ccc(OC)cc2)N=O)cc1 8613222 WHRKPROTCIBBTG-XHQRYOPUSA-N 426.433 1.288 50 40 IDGB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c2cccs2)cc1 9508715 JFVAVWNLRLGDOZ-CQSZACIVSA-N 443.572 1.618 50 40 IDGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16693366 HSPUFVBXXJTPQH-FYJGNVAPSA-N 435.502 1.873 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1Cl 34888507 FXVHMJCDWJAIPE-JMIUGGIZSA-N 439.877 1.818 50 40 IDGB CC(=O)Nc1cccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 103519085 BDPXXAVEYHFCNP-HKJBKDEOSA-N 428.470 1.337 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1-c1ccc([N+](=O)[O-])cc1 1876710 ARUNKDNZHCQQNI-AWQFTUOYSA-N 435.360 1.277 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2nnc(-c3ccsc3)o2)c1 13011482 VAJYKCPLAIEFIW-UHFFFAOYSA-N 449.514 1.442 50 40 IDGB O=C(CCCC(=O)NNC(=S)NC1CCCCC1)NNC(=S)NC1CCCCC1 17420439 ZKOLJSZKVCGJFJ-UHFFFAOYSA-N 442.655 1.813 50 40 IDGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 30003511 JJAHSFDWBDOMSP-UHFFFAOYSA-N 447.542 1.903 50 40 IDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)N1CCCCCC1 408789145 JTTLMPBQCSHBCC-STZFKDTASA-N 432.502 1.611 50 40 IDGB CN(CC(=O)N/N=C/c1cc(Br)ccc1O)S(=O)(=O)c1ccccc1 16186804 RKMLHUFLGZMFJW-VCHYOVAHSA-N 426.292 1.926 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1OC 20211359 FQKJCMKFBUOSLK-LPYMAVHISA-N 446.485 1.522 50 40 IDGB Cc1occc1C(=O)NNC(=O)NCCCCCCNC(=O)NNC(=O)c1ccoc1C 97944900 JBGSUYXOTXXITO-UHFFFAOYSA-N 448.480 1.638 50 40 IDGB O=C(COc1ccc2ccccc2n1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408741572 QQNUMQQCQNYAIN-PLVXZXGYSA-N 447.476 1.780 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1 409159852 VJHSNGDJULWGPT-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB COc1nn(CCC(=O)N/N=C/c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1[N+](=O)[O-] 2778953 HOEVKAMCXASEQY-REZTVBANSA-N 432.353 1.086 50 40 IDGB O=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1ccc(Br)cc1 10965511 BCPFDMHEDQWNRJ-UHFFFAOYSA-N 433.291 1.978 50 40 IDGB Cc1ccc(NC(=O)CC/C(CC(=O)c2ccc(F)cc2)=N/NC(=O)C(=O)NN)cc1C 17191922 PXURFKCXRZBPBS-IMRQLAEWSA-N 441.463 1.896 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)NC[C@@H]1CCCO1 28215010 ZEGVKBHEKQKCEB-ZXTOTCCCSA-N 439.468 1.651 50 40 IDGB O=C(COc1cccc2cccnc12)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408740518 LGPYDFIIGTWIME-UPVZUOOXSA-N 447.476 1.780 50 40 IDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1F 408785548 HFURIZPZKZPDDH-UUYOSTAYSA-N 444.444 1.986 50 40 IDGB O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](N2CCC3(CC2)C(F)(F)C32CCC2)C1=O 2087120859 FGFNKOAVKYGMOG-QGZVFWFLSA-N 432.276 1.399 50 40 IDGB COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1C 89502485 FBUPMTTXUSNBLR-UHFFFAOYSA-N 425.445 1.784 50 40 IDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1cccc([N+](=O)[O-])c1 408676091 AANDVURXNBYSKN-NCPBCQDQSA-N 439.218 1.648 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 409158115 XRTBDYLFQAVTSX-DHRITJCHSA-N 440.500 1.842 50 40 IDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 12137551 MPQHHMMHGCNHPQ-CQSZACIVSA-N 447.513 1.599 50 40 IDGB COc1cc(/C=N/NC(=O)c2nonc2N)c(Br)c(Br)c1O 16194698 SKANBGVFMOQGTM-CRKCGEKBSA-N 435.032 1.655 50 40 IDGB O=C(C[C@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 2333776 IDDHXVSPJHAQHD-OAHLLOKOSA-N 448.405 1.892 50 40 IDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(O)c3)nnn2-c2nonc2N)cc1 2605802 XCCLFJWVUWANCQ-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB CC/C(=N/NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(OCCN2CCOCC2)cc1 19640625 VBMPHUPCQSGCEP-ATJXCDBQSA-N 444.492 1.823 50 40 IDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O 20212344 IXOXKBLAANYHOX-CIAFOILYSA-N 433.486 1.691 50 40 IDGB CCOc1cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc(OCC)c1OCC 96997237 PIVPHVGDEGFENY-UHFFFAOYSA-N 440.522 1.856 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408653665 FHPBALMVQWLNGD-RTBURBONSA-N 449.463 1.984 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 409156012 KACNNLCEQWWCND-FSJBWODESA-N 432.864 1.570 50 40 IDGB O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 9499738 ZHDAIZQYDORNKK-UHFFFAOYSA-N 429.274 1.971 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 14166150 FOYOOSJLHOLEFD-YBFXNURJSA-N 436.446 1.528 50 40 IDGB CCN(CC)c1ccc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 29567910 NHXDSAAVQXSEDS-HSZRJFAPSA-N 437.500 1.761 50 40 IDGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 59247021 RRRFTTDJYDVKEZ-NHDPSOOVSA-N 427.885 1.463 50 40 IDGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)c1ccc(OC)cc1 59490267 BVYYUKVFIUSLGC-FYJGNVAPSA-N 433.486 1.927 50 40 IDGB CCn1c(NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)nc2ccccc2c1=O 32863466 MJANBHXDVHBCPU-HSZRJFAPSA-N 446.467 1.253 50 40 IDGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1 408782998 LTVIUIPCGRFFPM-BKUYFWCQSA-N 426.454 1.847 50 40 IDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12909387 ISQMVTUZDZXYKB-ZIAGYGMSSA-N 443.431 1.565 50 40 IDGB COc1ccc(/C(C)=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 13596554 XUCOCUBZFYRNGV-NKFKGCMQSA-N 444.557 1.850 50 40 IDGB CCOC(=O)C1=NO[C@H](Cc2c(/C=C(\C#N)C(N)=O)c(OC)c3c(c2OC)OCO3)C1 15084731 YEIRAWYUYXFBTH-IGLBNKAOSA-N 431.401 1.075 50 40 IDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc21 16503065 ZGCMKNUFJPTFII-UHFFFAOYSA-N 440.504 1.770 50 40 IDGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1OC 19882736 JJDCZRDZXJVEET-FLFQWRMESA-N 437.500 1.389 50 40 IDGB O=C(Cn1nnc(Cn2cnc(Cl)c2Cl)n1)NNC(=O)c1ccc(Cl)cc1 2153337 WTMQMORJGYGDIZ-UHFFFAOYSA-N 429.655 1.339 50 40 IDGB COCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 2782016 SUBDRPUXIZXBKT-VXNVDRBHSA-N 430.403 1.581 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 12986296 LBRZDQBVOPXNOA-VBKZILBWSA-N 429.502 1.022 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OC)c2OC)cc1C 16282944 YZTAIARHLVAXHF-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1CSc1ccccc1 1750770 WUGGEVKMPUUNPA-UFFVCSGVSA-N 436.457 1.994 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2cccc(O)c2)nnn1-c1nonc1N)c1ccccc1 2336496 FFOGVUHQVDOHFT-SSDVNMTOSA-N 433.432 1.338 50 40 IDGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 2379064 JZLGFHJLOKUMJM-DNTJNYDQSA-N 430.425 1.146 50 40 IDGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccc2c(c1)n(C)c(=O)n2C 3766168 YYZHTRFWYBVTBX-VVJWVBNBSA-N 427.530 1.772 50 40 IDGB O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5545320 QOTYQNIGLTXFOQ-UHFFFAOYSA-N 433.164 1.193 50 40 IDGB COc1ccc(CC(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 12867132 SHGZZNISDJWIFK-GOSISDBHSA-N 435.477 1.378 50 40 IDGB CCCCOc1ccc(C(=O)NNC(=O)CS(=O)(=O)Cc2cccnc2)cc1OC 32928363 CUMKQKHSGKKGSV-UHFFFAOYSA-N 435.502 1.645 50 40 IDGB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1 408665899 RTHNGYZVEDZJKZ-UHFFFAOYSA-N 437.452 1.847 50 40 IDGB CCOc1cc(/C=N/NC(=O)C2(C)OCCO2)cc(I)c1OC 408725816 KVDYLNIACALWRJ-RQZCQDPDSA-N 434.230 1.912 50 40 IDGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2)cc1 409249211 IVPALDFEVNABPV-HMHIXTCJSA-N 438.484 1.758 50 40 IDGB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1 408645826 MHTGOFNCTFUWNS-UHFFFAOYSA-N 443.456 1.817 50 40 IDGB CCc1ccc(C(=O)NNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 18095452 LLUZYBFIJXAGMQ-UHFFFAOYSA-N 441.484 1.570 50 40 IDGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)NNC(=O)c1ccccc1 408658996 LOZSZAWOZCKXIQ-OALUTQOASA-N 447.447 1.760 50 40 IDGB Cc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2I)[nH]n1 8400397 PMEKGIRVYIAXGU-UHFFFAOYSA-N 429.243 1.272 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 226855123 JFPNOMZAJJJRCY-UHFFFAOYSA-N 447.210 1.823 50 40 IDGB CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538032 YOHAYIJTYQGLHL-IUPCCDBSSA-N 425.445 1.244 50 40 IDGB CSc1nc2nc(C)c(CCC(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)c(C)n2n1 12928113 BOEZFUKVZWSGLV-BETUJISGSA-N 449.581 1.042 50 40 IDGB CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CCCN2C2CCOCC2)c2ccccc2c1=O 95427637 OQGNOPKXFIVTGG-SFHVURJKSA-N 427.505 1.382 50 40 IDGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1 409025745 ZZVIXYGSZMVSCV-WSDLNYQXSA-N 432.502 1.029 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc(Cl)c(Cl)c2)cc1 2632921 OGOHCJXBRIGTCF-UHFFFAOYSA-N 431.301 1.779 50 40 IDGB C/C(=N/OCC(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1cccs1 26593313 DPFQYYLWLNRSDZ-GZNBGRTQSA-N 441.513 1.646 50 40 IDGB O=C(N[C@H](C(=O)N/N=C\c1cccnc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 33657548 MLRCHYDFAHBEAT-FQOPDIHJSA-N 426.436 1.940 50 40 IDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100771419 IUWMXNPPXWLHGJ-VDTLYABESA-N 441.477 1.719 50 40 IDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 9442892 IXBHGNFDJRNQGN-LLVKDONJSA-N 447.542 1.796 50 40 IDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CCN1C(=O)c2ccccc2C1=O 9562357 TUSLYWJOUAQXLZ-UHFFFAOYSA-N 449.511 1.032 50 40 IDGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)N1CCOCC1 409015396 ZPRQDZOOCLSBIA-XKZIYDEJSA-N 442.428 1.605 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OCC)c1 409156800 UQQNLBJXKOBPBU-CVKSISIWSA-N 438.484 1.533 50 40 IDGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 3391959 CSGGTIUBLXLQAZ-LIRRHRJNSA-N 425.441 1.426 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2c[nH]c3ccccc23)cc1 9507772 WJJQNZSTFABGCL-UHFFFAOYSA-N 428.514 1.877 50 40 IDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)Nc1ccc(F)cc1 409265796 PGGCDHJHCTUSSB-QZUPYORJSA-N 442.447 1.589 50 40 IDGB Cc1cccc(NC(=O)NNC(=O)c2ccncc2)c1NC(=O)NNC(=O)c1ccncc1 1668707 CATOTIWBVXJXQS-UHFFFAOYSA-N 448.443 1.718 50 40 IDGB O=C(CSc1nc2ccccc2o1)NNC(=O)CSc1nnnn1-c1ccccc1 9026810 VEBREHFJYBJFGG-UHFFFAOYSA-N 441.498 1.835 50 40 IDGB COc1cc(C(=O)NCCCC(=O)NNC(=O)c2ccc(C)cc2)cc(OC)c1OC 41097265 XYSQMQGMTNMDOT-UHFFFAOYSA-N 429.473 1.992 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 8991205 RKFITUOXDYWMMC-PWDRSIHYSA-N 449.872 1.730 50 40 IDGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1cccs1 9439680 HPOVBIXGIBZAFU-UHFFFAOYSA-N 429.285 1.362 50 40 IDGB Cn1c(CC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)nc2ccccc21 9511905 JCLDIMQXFHDJAX-UHFFFAOYSA-N 444.289 1.456 50 40 IDGB CSc1ncccc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12757972 LXDVZKBKIZXGRU-OAHLLOKOSA-N 448.570 1.974 50 40 IDGB C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1cccc(O)c1 25782070 MPOXNBZJEZQKJR-CIAFOILYSA-N 425.453 1.078 50 40 IDGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 408662875 NZNUXFZCUJFCMS-DSIZOQBWSA-N 447.875 1.065 50 40 IDGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 409250765 NWGOBMZCAPOXIX-WMZJFQQLSA-N 426.223 1.501 50 40 IDGB Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1cc(Cl)ccc1O 2242869 RQQRKISAGILLJI-ZVBGSRNCSA-N 445.871 1.341 50 40 IDGB COc1cc(OC)c(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 28351250 CEEZIIRXLNFYQZ-IWIPYMOSSA-N 426.517 1.980 50 40 IDGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc(OC)c1OC 35419026 SYZIFOLWZORUEM-ZVBGSRNCSA-N 432.389 1.206 50 40 IDGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21 100282833 SFPNMKSZQJHJBC-HKOYGPOVSA-N 428.832 1.110 50 40 IDGB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2[N+](=O)[O-])C1=O 408531955 PGLNMKMMKIPCOK-ZRDIBKRKSA-N 425.357 1.005 50 40 IDGB COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408656663 NUNACXJAIQHPOW-ZDUSSCGKSA-N 445.859 1.706 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2O)nnn1-c1nonc1N)C1CCCCC1 1854023 ICVXHANKWSMDRE-SSDVNMTOSA-N 439.480 1.467 50 40 IDGB CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 3770024 QPPFUPGVVSZLAT-JSGCOSHPSA-N 432.889 1.596 50 40 IDGB O=C(NNc1cccc(Cl)n1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1141568567 GJAQDCPIRNBYQC-UHFFFAOYSA-N 430.939 1.946 50 40 IDGB N#CC1=C(S)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1ccco1 5536908 UNJRKQHMCCKMSG-UNNXJWPMSA-N 442.493 1.185 50 40 IDGB CCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1OC 12697027 QZVSQNHDQLOCGF-UHFFFAOYSA-N 429.429 1.404 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 409167385 IHHCJOMUHNYLEC-FSJBWODESA-N 426.473 1.996 50 40 IDGB O=C1Nc2ccccc2/C1=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1063621 DJERDIRITYKVJG-UHFFFAOYSA-N 430.461 1.699 50 40 IDGB Cc1ccc(S(=O)(=O)/C(C#N)=C/NC(=S)N/N=C2/C(=O)Nc3ccccc32)cc1 1637267 JYTWRNZSCXDHSL-SDNWHVSQSA-N 425.495 1.954 50 40 IDGB O=C(CSc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3395104 QQUFSIYXFBZPTM-UHFFFAOYSA-N 435.527 1.261 50 40 IDGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C)c2ccccc21 989390 WRBHMUULSZGXLR-JOCHJYFZSA-N 425.441 1.784 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3c[nH]c4ccccc34)CC2)cc1 35442332 NCBLEAPQJJTXPT-BUVRLJJBSA-N 439.541 1.933 50 40 IDGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(CCCC#N)c2ccccc21 2293614 OYFQIRXNCFFWMM-CPCVUTPYSA-N 445.479 1.995 50 40 IDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1 28213289 HEDKAXZBZIOIHD-UFFVCSGVSA-N 438.893 1.120 50 40 IDGB CC/C(=N\NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(OCCN2CCOCC2)cc1 33522469 VBMPHUPCQSGCEP-BSYVCWPDSA-N 444.492 1.823 50 40 IDGB O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1)C1CC1 95992912 KQSIMHOBUJMCAV-UHFFFAOYSA-N 430.324 1.475 50 40 IDGB Nn1c(Cc2ccccc2F)nnc1SCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 3519720 YNBDWSCOQBHGSL-UHFFFAOYSA-N 445.436 1.183 50 40 IDGB COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c(OC)c1 9423892 GYWPFWOPMSHAFS-JXAWBTAJSA-N 426.473 1.541 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 8826628 ABKUVJNXTYVYIM-SRZZPIQSSA-N 433.388 1.962 50 40 IDGB Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12894723 PASCCHOBHVACRM-UHFFFAOYSA-N 427.822 1.951 50 40 IDGB COc1ccc(NCC(=O)NN[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 35682772 YQVXFQVTABJMTK-SFHVURJKSA-N 427.505 1.771 50 40 IDGB CS(=O)(=O)N1C[C@@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc21 1399739 GJISRTQUNKVTQZ-ARFNDINWSA-N 438.849 1.926 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(O)cc3)nnn2-c2nonc2N)c1 9234194 RMFGKKOMBHEWMN-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 9442459 WJSGUEKZTDIPGL-FQEVSTJZSA-N 425.464 1.857 50 40 IDGB O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)c1ccncc1 96022850 YAIDQIHHDYYVBM-CJXDBHJTSA-N 443.095 1.504 50 40 IDGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=S)NNC(=O)c3ccccc3)C2=O)cc1C 408532940 RPGMOKJUZGVBRM-LFIBNONCSA-N 437.481 1.579 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1Cl 408766319 BTZXZOBFPGOACG-KEBDBYFISA-N 441.893 1.979 50 40 IDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12761869 XREKYYGCKFDWCB-UHFFFAOYSA-N 437.659 1.973 50 40 IDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 15948308 DPRVWIJSPJHFTL-UHFFFAOYSA-N 433.486 1.563 50 40 IDGB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1ccccc1 24929160 KWIFEIZGWRDOCA-IFXJQAMLSA-N 428.514 1.530 50 40 IDGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3[C@H]4[C@H]3[C@@H]2[C@@]23C[C@H](Br)[C@@H](O)C[C@@]12[C@@H]43 104283745 PPEJIKFWQLVNPP-BRXJRJHPSA-N 428.286 1.307 50 40 IDGB COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1c(I)cnn1C 8397998 XXKQUEBHQRVQKI-MFOYZWKCSA-N 434.234 1.289 50 40 IDGB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408690054 ZMFBUIIUBQMSNJ-HZMAYWFUSA-N 436.258 1.942 50 40 IDGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409322661 KGEXBEWXCKTNKP-SJORKVTESA-N 445.497 1.470 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1OC 1787568 YEMNLJYOIZKQGV-SSDVNMTOSA-N 434.416 1.681 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 2085078 SWUILDAHBDPBTN-NWGMWSOJSA-N 433.486 1.543 50 40 IDGB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 3274748 IXXGVOCVGWJJQL-UHFFFAOYSA-N 426.454 1.658 50 40 IDGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCCO2 13562685 OCKMFRDVXVRUJI-ZMOGYAJESA-N 426.429 1.926 50 40 IDGB Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 22932442 FAKHFXJZNSZBDF-UHFFFAOYSA-N 427.480 1.151 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C)c1 409154915 HTDQRIJQWRXOAA-FSJBWODESA-N 426.473 1.996 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c(OC)c1 16282908 GTFSQRMPCKYWMW-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB CCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1 28287079 JVOOCIMOHUFFCY-UHFFFAOYSA-N 447.698 1.761 50 40 IDGB CCCn1nc(C(=O)NNC(=O)c2ncc(C(N)=O)cc2Cl)c2ccccc2c1=O 89960606 DEGALMIGPQBHLI-UHFFFAOYSA-N 428.836 1.029 50 40 IDGB O=C(COc1ccc(Cl)cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408742628 WYDSJPTYEVCINI-SBUZPKSBSA-N 430.873 1.885 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 19596045 UZPJCIYSPMWNMG-UHFFFAOYSA-N 439.877 1.459 50 40 IDGB O=C(NNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ccc2ccccc2n1 32933175 DFLQCZFNTNZZHN-JXFKEZNVSA-N 436.443 1.339 50 40 IDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408996903 KJSHKDWKKOVRDL-OYKKKHCWSA-N 442.472 1.316 50 40 IDGB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccccc1Cl 408644969 JHKPXPWXZVEJBB-HNNXBMFYSA-N 429.860 1.693 50 40 IDGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)c(OC)c1 408906036 AHNRTMXOYJWRIQ-PDERCVKFSA-N 442.472 1.367 50 40 IDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)s1 9287542 LHWPJVKDHCJSST-UFWORHAWSA-N 439.417 1.942 50 40 IDGB CN(CC(=O)NNC(=O)c1cc2c(s1)CCCC2)S(=O)(=O)c1ccc(C#N)cc1 12864358 ZXCKHOHHTNQRDV-UHFFFAOYSA-N 432.527 1.580 50 40 IDGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21 16693154 NUIZURGVIUOSBO-BHGWPJFGSA-N 434.456 1.136 50 40 IDGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNS(=O)(=O)c1cn[nH]c1)OCc1ccccc1 72311783 OKSHYKBCHWPBPP-SFHVURJKSA-N 443.485 1.257 50 40 IDGB O=C(NN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccncc1 96022851 YAIDQIHHDYYVBM-LIPDQUKKSA-N 443.095 1.504 50 40 IDGB COC(=O)c1ccccc1N/C=C1\C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 9422954 TZHHKWYWPYTXEW-JXAWBTAJSA-N 436.468 1.990 50 40 IDGB N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 14245839 MQDFQFREXHMZES-UHFFFAOYSA-N 445.478 1.748 50 40 IDGB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NNC(=O)OC(C)(C)C 19079634 BRGKSOUYTDSIJD-LBPRGKRZSA-N 429.524 1.550 50 40 IDGB CCOc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 100958148 NCDPGUDMAGMYMV-WNLSXJKCSA-N 430.482 1.873 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 409158283 SJHJNMAESJPKDN-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 409163604 UWSFJDZZLKYQBB-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 9442460 WJSGUEKZTDIPGL-HXUWFJFHSA-N 425.464 1.857 50 40 IDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1csc(N2CCOCC2)n1 12977676 NGVOAIWNIFXLJT-UHFFFAOYSA-N 437.330 1.910 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 408771188 FXWIVOHFHVHFLY-CIAFOILYSA-N 435.502 1.937 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409165755 BFIDRKCAJUXKJN-UFFVCSGVSA-N 433.262 1.663 50 40 IDGB O[C@@H]1[C@H](Oc2ccc(Br)cc2)O[C@@H](CI)[C@@H](O)[C@H]1O 2132661 KMKUGSBGWATLAO-MTVMDMGHSA-N 445.047 1.071 50 40 IDGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNS(=O)(=O)c1ccccc1 8820293 PRWHPYXUKKBULI-SDNWHVSQSA-N 437.524 1.881 50 40 IDGB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=S)NCc1ccccc1 9316623 PGCXOBCLYCLFRZ-MRXNPFEDSA-N 447.948 1.399 50 40 IDGB O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(F)cc1 9662300 JLWMHPQESSLKLR-UHFFFAOYSA-N 431.464 1.463 50 40 IDGB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)c1 9889969 RTRNBABDTLFCQY-UHFFFAOYSA-N 430.486 1.144 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC 16187094 OGTFIPLQLWETKB-YBFXNURJSA-N 436.446 1.383 50 40 IDGB O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1)c1ccco1 25242548 GCLLIHDNUKSBSL-SECBINFHSA-N 448.320 1.718 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@@H]2C3)c1-c1ccc([N+](=O)[O-])cc1 217959717 FLHQCOUOQOKTQB-VUPFYALQSA-N 435.404 1.736 50 40 IDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1Cl 8991003 COSUWERFOPLTLZ-UGMNDJHYSA-N 449.872 1.730 50 40 IDGB Cc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)c(C)c1 69924278 JYGLQBZKQBUKQV-UHFFFAOYSA-N 432.546 1.848 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 1251089 QMTXTFLQTKNERH-FLFQWRMESA-N 425.441 1.677 50 40 IDGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 13096305 BQUJTVZELNZWFC-CIAFOILYSA-N 449.514 1.232 50 40 IDGB Cn1cc(Br)cc1C(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102859675 QULOOUVAUJUOMD-VXGBXAGGSA-N 425.283 1.114 50 40 IDGB COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408655808 MGVYFIWOXJCFBV-CQSZACIVSA-N 445.859 1.706 50 40 IDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(O)cc1 408730194 FZHOPJPEHRVYIL-VXLYETTFSA-N 426.414 2.097 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2)c1COc1ccc(F)cc1 2391695 GITZOLGKBBVVJR-LSFURLLWSA-N 438.379 1.420 50 40 IDGB O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9915609 QYKKBYBMZBECFR-UHFFFAOYSA-N 431.449 1.345 50 40 IDGB NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 14244788 NNQNSHQCGZDPCG-UHFFFAOYSA-N 429.545 1.288 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 16187018 HFBNZXXGEGYNHO-KEBDBYFISA-N 435.458 1.203 50 40 IDGB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 18055794 WCQWWRFGKNFJCO-QWHCGFSZSA-N 439.465 1.116 50 40 IDGB CC(C)OC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccnc1 39400744 LSGFNHYFWSROMK-GONKEYIRSA-N 445.504 1.079 50 40 IDGB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 13134345 UHZIEICPIIEIEK-UHFFFAOYSA-N 428.426 1.341 50 40 IDGB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(OC)c1 95993566 YQMUAULYSGHSMP-GQCTYLIASA-N 433.324 1.543 50 40 IDGB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408688182 WIVREZIICNKDMY-MXMMTARNSA-N 439.295 1.942 50 40 IDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409015478 ZVZNZSLZRUFTEU-NDENLUEZSA-N 429.389 1.869 50 40 IDGB CCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409149640 LXLJHZVNEDWWOS-RGVLZGJSSA-N 437.474 1.237 50 40 IDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)N1CCCC1 409273091 VIIRUOAJACAVRU-FSJBWODESA-N 428.445 1.056 50 40 IDGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(=O)[nH]c1 17397527 SWKXODFHZPFNCK-UHFFFAOYSA-N 446.872 1.904 50 40 IDGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 409011995 IILIHNGPUVMSSE-UCQKPKSFSA-N 427.457 1.705 50 40 IDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3)n2C)cc1 933562 WEXBQIHSIQXGKZ-UHFFFAOYSA-N 427.486 1.956 50 40 IDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1 2399368 UEXMUONRBYLKRB-FOKLQQMPSA-N 445.443 1.930 50 40 IDGB CCOc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 9425487 PDUHCBLOFFZZQT-UHFFFAOYSA-N 448.501 1.772 50 40 IDGB CC/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(O)cc1 36108846 UUGCAONRKNPZLP-XTQSDGFTSA-N 444.557 1.937 50 40 IDGB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NNC(=O)c1ccccc1O 9439092 NWOIFSXXOPMCGD-UKTHLTGXSA-N 434.330 1.812 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 409157602 PVXJNFRHUWARDB-DHRITJCHSA-N 428.876 1.788 50 40 IDGB Cc1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 16050907 GPWPGIWCMUALDI-UHFFFAOYSA-N 427.486 1.515 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409155705 MEAJTBJZSGDNOG-WYMPLXKRSA-N 446.435 1.065 50 40 IDGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)cc1 409165384 XLJDXIADKFFJNF-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB COc1c(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cccc1[N+](=O)[O-] 6136315 YXGUCBWBMHVJGF-ZVBGSRNCSA-N 436.388 1.736 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)COc3ccccc3)CC2)cc1 12639030 VKPVLXWRCZAQOD-UHFFFAOYSA-N 431.514 1.622 50 40 IDGB C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12775392 TVXQYNVXSKICQJ-SNVBAGLBSA-N 441.410 1.909 50 40 IDGB O=C(NNC(=S)NC[C@H]1CCCO1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 222364715 CXJNPOWMAMNEBS-VYLMTAHTSA-N 438.985 1.901 50 40 IDGB COc1cc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(OC)c1 9457346 XQYREJGMAHFFMH-DNTJNYDQSA-N 430.425 1.146 50 40 IDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 16271234 OFHWQMDLFYIPTN-UHFFFAOYSA-N 434.210 1.351 50 40 IDGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 17017060 UGVHOHQTVSHFLS-PPAWOMOGSA-N 443.437 1.812 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 408781346 CGLYBMDJEIZBOL-CIAFOILYSA-N 449.485 1.407 50 40 IDGB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3cccs3)nnc12 2648224 RAMOLLQUPRRGAE-UHFFFAOYSA-N 440.510 1.845 50 40 IDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408591190 RWHRIQVDORKZFO-SSDVNMTOSA-N 427.417 1.722 50 40 IDGB COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 8568541 OGGPVAULTZIZEQ-UHFFFAOYSA-N 425.507 1.181 50 40 IDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cc(OC)cc(OC)c3)CC2=O)cc1 14686976 FTUDQGYEAFGAEQ-HNNXBMFYSA-N 427.457 1.917 50 40 IDGB COc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c(OC)c1 139146420 PQTHCIGDAAESJE-UHFFFAOYSA-N 429.429 1.427 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 409164440 IMTXORICWHTMKF-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OC(C)=O 2265222 DVOUUWNMDADDSV-ZVBGSRNCSA-N 442.436 1.444 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2cccc(F)c2)nnn1-c1nonc1N)C1CCCCC1 9308181 YEUPLDLKXXPSEE-FOKLQQMPSA-N 441.471 1.900 50 40 IDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 9546053 JMJOANLBBKANEQ-UHFFFAOYSA-N 444.542 1.958 50 40 IDGB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)C2=O)cc1 23805759 UURVCHJSQBPSGR-JLCFBVMHSA-N 442.447 1.516 50 40 IDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408687117 UJNNCLXRYYYHML-PWTXATHPSA-N 439.295 1.942 50 40 IDGB COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1OC 2520707 ANCCNYIMEVMPAJ-SSDVNMTOSA-N 434.416 1.681 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2c(c1)OCCO2 9423686 QICBPOKSEJNKHT-FBKCMUNRSA-N 429.454 1.150 50 40 IDGB COc1cc(C(=O)NNC(=O)c2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 15347180 VHEXULDAHHQWKW-UHFFFAOYSA-N 431.420 1.147 50 40 IDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 16186844 UTPAICZAEKXWPK-RGVLZGJSSA-N 437.474 1.189 50 40 IDGB COc1cc(Br)c(OC)c(C(=O)NNC(=O)C(=O)NCc2ccco2)c1 28691903 OVYXLMTWCQQZFO-UHFFFAOYSA-N 426.223 1.137 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1C 33665874 NWPOLTPHGVCFAC-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58880790 LMVLJIYBZDTQHF-HMHIXTCJSA-N 438.484 1.758 50 40 IDGB CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)o1 78718357 OAPVIBRXTHVKPY-GOSISDBHSA-N 443.483 1.800 50 40 IDGB COc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c(OC)c1 408645391 LJFSWIAYKKJCQQ-UHFFFAOYSA-N 443.456 1.817 50 40 IDGB CCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c2ccccc2c1=O 72284175 KCSXHOWBUUAMOO-FXAWDEMLSA-N 448.483 1.182 50 40 IDGB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 139096014 UKTSDOVHPARFEJ-INIZCTEOSA-N 425.441 1.443 50 40 IDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(I)cc1 409024236 CDHSPONYAAQFJS-CXUHLZMHSA-N 447.254 1.801 50 40 IDGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21 989164 MIGJIOFAMLVMLQ-HSZRJFAPSA-N 429.388 1.685 50 40 IDGB biogenic,in-vitro COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 9316633 ZVBRZQWAICBDHY-UHFFFAOYSA-N 435.502 1.614 50 40 IDGB Cc1ccc(OCCCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9442537 ULRZZCLIKLVKEH-UHFFFAOYSA-N 433.530 1.931 50 40 IDGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)C[C@H](C)O1 17526657 IGLZSMVERRUUNW-KBPBESRZSA-N 433.486 1.265 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 20207475 PSMYITJWBADPPV-CIAFOILYSA-N 433.486 1.463 50 40 IDGB CCOc1cc(/C=N\NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1O 32109813 DGSCYLZOWIOXPQ-JMIUGGIZSA-N 430.299 1.935 50 40 IDGB Cc1ccc2c(c1)=C(NNC(=O)c1ccc(NS(=O)(=O)c3cccs3)cc1)C(=O)N=2 100487280 KWPYDDHREHAZHR-UHFFFAOYSA-N 440.506 1.060 50 40 IDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 409170151 UIQXABDMLWWHQN-ZMOGYAJESA-N 440.456 1.474 50 40 IDGB CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 12702542 LXQRUSJVZWOBKD-UHFFFAOYSA-N 433.490 1.931 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1 409152470 FLSAECOMMNLTDT-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCOC)cc1 409166484 CSJTWZMVAXOUCE-ZVHZXABRSA-N 442.472 1.316 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1-c1ccc2c(c1)OCO2 9499686 JHLKANOOHHKIET-GZIVZEMBSA-N 436.363 1.531 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccc(O)cc1 36384367 RDTLAOMNCUVKFG-WSDLNYQXSA-N 434.416 1.671 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 59246403 WVQBCUSIVKQQHT-LPYMAVHISA-N 428.445 1.965 50 40 IDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408611745 RZTDKVRENDZMCD-FRQJIFLKSA-N 440.500 1.755 50 40 IDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccncc1 408742237 QDRKNDBWGWOWRD-PCQWDSEFSA-N 446.286 1.624 50 40 IDGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3)nnn2-c2nonc2N)cc1 1874611 FDRAEALSNKSROI-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc([N+](=O)[O-])c1 100572018 YCADALZMRDCHGA-AWEZNQCLSA-N 433.218 1.924 50 40 IDGB CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 3770081 TZPICPXDSQKSSS-HOCLYGCPSA-N 443.481 1.768 50 40 IDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCN(C)CC3)nc12 13658726 YRAWKFFMZNCVCP-GHRIWEEISA-N 432.484 1.571 50 40 IDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 58873355 PQCSATLNFPLCSR-ZMOGYAJESA-N 426.473 1.935 50 40 IDGB CC(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408676126 ACHOQJQOEAJGGK-HZMAYWFUSA-N 437.242 1.909 50 40 IDGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 409025361 PVXMPJWQILOTRG-DEDYPNTBSA-N 448.457 1.672 50 40 IDGB CS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 27991452 DEUVTOKMZOKIEP-UHFFFAOYSA-N 433.671 1.371 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(Cc2csc(C)n2)CC1 32761128 KCBZWIGGRJZBLH-UHFFFAOYSA-N 437.953 1.692 50 40 IDGB COc1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 9422330 NCYSNJDUCSLGRN-FBKCMUNRSA-N 431.470 1.396 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC 16186363 FETJQDRNLZZIDK-FYJGNVAPSA-N 434.518 1.541 50 40 IDGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100771415 IUWMXNPPXWLHGJ-FJHAOJMWSA-N 441.477 1.719 50 40 IDGB biogenic COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408922470 BFDKAZOKBSDVMR-NWGMWSOJSA-N 433.486 1.543 50 40 IDGB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCCl)cc1 26780188 JJWYMUKTQKGUCZ-UHFFFAOYSA-N 426.882 1.679 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1OC 33770624 YESWRKJTFWMIIS-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc2c(c1)OCO2 408994606 IEHGWBMTRXQDER-FMCGGJTJSA-N 427.457 1.785 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 1763269 NCNAJQAGXJXQLN-ROMGYVFFSA-N 436.468 1.166 50 40 IDGB Cc1cc(C)nc(SCC(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1 3297005 OCGJAKRKPFWUJR-UHFFFAOYSA-N 428.470 1.827 50 40 IDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1 18071407 MNSCAQPEBIOPTH-ZDUSSCGKSA-N 441.531 1.382 50 40 IDGB CCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(CC)c3ccccc32)c2ccccc21 100192420 VLMVPONYENXJQZ-QRNPONQASA-N 446.467 1.151 50 40 IDGB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)N1CCCCC1 101052163 RNIBTTRSOQGBAY-VYEAZLRYSA-N 448.155 1.777 50 40 IDGB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408690050 ZLVMTYWDGZKABG-KWRZAIAESA-N 449.301 1.669 50 40 IDGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)O)c(OC)c1 408906503 CBQBWASEMKADTG-YXUUZYBBSA-N 443.456 1.966 50 40 IDGB CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1 2198192 CFFGQTVSSJLVLZ-OBGWFSINSA-N 435.509 1.785 50 40 IDGB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 18055796 WCQWWRFGKNFJCO-STQMWFEESA-N 439.465 1.116 50 40 IDGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccccc1O 25782231 RRLPNMIELRQWDG-JEHRSMSHSA-N 439.480 1.467 50 40 IDGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668252 VFULVCGQEWCTKF-JAQSECSASA-N 441.484 1.047 50 40 IDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(C)(=O)=O 408771929 KDRAZNFQWQBCLB-FYJGNVAPSA-N 433.486 1.788 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409164044 BQKIIXCWARPWBY-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 1411861 SYDBRAKQXXJRDH-HIFRSBDPSA-N 431.445 1.899 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N)c1ccccc1 2426792 GUPOSTGCFAJFHC-FOKLQQMPSA-N 435.423 1.772 50 40 IDGB COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1 16282242 KAODSLUDDRXLFW-UHFFFAOYSA-N 436.262 1.931 50 40 IDGB O=C(COc1ccc(Br)cc1)NNC(=O)Cn1nnc(-c2ccccc2)n1 892420 YVAKKRSCLRQUKS-UHFFFAOYSA-N 431.250 1.329 50 40 IDGB CCOc1c(Br)cc(C(=O)NNC(=O)CNC(=O)[C@H]2C[C@@H]2C)cc1OC 23187334 AQNHAKNELMHUBK-ONGXEEELSA-N 428.283 1.390 50 40 IDGB COc1cc(/C=N\NC(=O)c2nonc2N)ccc1OS(=O)(=O)c1ccc(F)cc1 33454653 KIPKQMMXQHFNRV-UKWGHVSLSA-N 435.393 1.331 50 40 IDGB COc1cc(C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c([N+](=O)[O-])c(OC)c1OC 9948710 YJRKWYCSDYRPMX-FRKPEAEDSA-N 429.363 1.224 50 40 IDGB COc1ccc(OCC(=O)NN[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 35682776 HWQYKQGIMMYDIS-SFHVURJKSA-N 428.489 1.738 50 40 IDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 409169936 RIFMKOBGMVLAQI-ZMOGYAJESA-N 426.473 1.997 50 40 IDGB CO[C@H]1O[C@@H](CBr)[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5004698 WJJWINBQQUIINH-UJHHCITNSA-N 445.262 1.842 50 40 IDGB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408685710 QANKSFCKYGTNFC-SPGVSREJSA-N 436.258 1.942 50 40 IDGB COc1ccc([C@H](CNC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)N2CCCC2)cc1 575425061 XKJDBOKIHYANPQ-IKGGRYGDSA-N 432.011 1.701 50 40 IDGB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c2ccco2)cc1 9909926 HNOPTIQCCPFZHQ-AWEZNQCLSA-N 427.504 1.149 50 40 IDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 40161103 LCXQOPYYKZDGAL-UHFFFAOYSA-N 432.502 1.693 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1OC 408780080 RODDCPSFEJQORZ-FYJGNVAPSA-N 434.518 1.686 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1O 2596266 UFEPZHMXEMECIW-UFWORHAWSA-N 426.418 1.439 50 40 IDGB O=C(N[C@H](C(=O)N/N=C/c1ccncc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065214 TVEPKYLZVIEQNB-LEEXQRRLSA-N 426.436 1.940 50 40 IDGB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408689736 ZFFNRPMUFLWDKP-HPKFOSBRSA-N 439.295 1.942 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 409162936 JRWKQCNPXOOZSO-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB CCOc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccs2)cc1OC 9909954 JAUKWFVIZFMOLS-UHFFFAOYSA-N 427.504 1.285 50 40 IDGB Cc1ccc2c(c1)/C(=N/NC(=O)CCCC(=O)N/N=C1/C(=O)Nc3ccc(C)cc31)C(=O)N2 13563456 DLDZUMBBDLVBFG-UHFFFAOYSA-N 446.467 1.719 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 20211886 LZPUSHGLYONDGQ-SRZZPIQSSA-N 437.449 1.294 50 40 IDGB CN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 103906535 RJLORJDHIVBOIS-QOCHGBHMSA-N 426.498 1.972 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 409154146 NXGHWIDDOUSLIR-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1CSc1ccccc1 1872913 UIYLFLOWUKWFIS-UFFVCSGVSA-N 436.457 1.994 50 40 IDGB O=C(NNc1ccc(Br)cn1)C(=O)NNc1ccc(Br)cn1 2228722 XSKVJZZRHALUMO-UHFFFAOYSA-N 430.060 1.588 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)c1OC 2446422 IZUYBKXQHMVIBU-AWQFTUOYSA-N 440.445 1.742 50 40 IDGB COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCC(=O)N1CCOCC1 8779675 KBDICKNMHDRTDD-ZVHZXABRSA-N 426.473 1.495 50 40 IDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1O 109323037 GMHFKNGFYWHQBM-PCQWDSEFSA-N 445.229 1.770 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)cc1C 408868919 OFZYOKFBWGZFBF-KSEXSDGBSA-N 427.461 1.126 50 40 IDGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408657368 JPXZUPCDHXKWGZ-RTBURBONSA-N 447.447 1.760 50 40 IDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCN(C)CC3)nc12 2205760 WQGPZYQBXYPVLX-HMMYKYKNSA-N 442.523 1.978 50 40 IDGB COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 39986608 VDFWMDHEBLFCTH-MTJSOVHGSA-N 435.502 1.792 50 40 IDGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58882136 GOXSXQLVVMLWOY-HUHXJTTESA-N 438.484 1.758 50 40 IDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 9087278 UBESWZYLLAYLFN-AWQFTUOYSA-N 437.445 1.683 50 40 IDGB COc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)cc2)C=3C#N)cc1 13739600 YQJQASJBTLOOCV-IQKNENRKSA-N 442.500 1.878 50 40 IDGB COc1ccc(OC)c(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(=O)N=C2O)c1 17179992 UTHXIDCDFJCPSR-RAXLEYEMSA-N 426.385 1.015 50 40 IDGB O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCCNS(=O)(=O)CCl 78976548 MNZZBYGDJQUJJR-UHFFFAOYSA-N 429.882 1.533 50 40 IDGB CCN1C(=O)/C(=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 100192491 PPNWJYGYBPFDHC-NCELDCMTSA-N 440.456 1.329 50 40 IDGB COc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cccc(OC)c2)C=3C#N)c1 12371518 FSVDYOCGEXYJPN-UYNZCYITSA-N 442.500 1.878 50 40 IDGB CCOc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)c1O 16693301 ZYLCSCZISWEOAU-MTJSOVHGSA-N 435.502 1.879 50 40 IDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccn3)CC2)cc1OC 408972231 NYQSPWXSFUNUQG-HYARGMPZSA-N 432.502 1.650 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(=O)O)c1 16187462 PGOIWNZGNFRJJM-JAIQZWGSSA-N 435.458 1.173 50 40 IDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 105905129 KNNQWKTYXFUFIF-TVQYVCPQSA-N 425.397 1.337 50 40 IDGB Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 24835025 WXRIVTLJGVKUKE-UHFFFAOYSA-N 437.544 1.629 50 40 IDGB COc1ccc(S(=O)(=O)N(CC(=O)NN)c2cc(Cl)ccc2OC)cc1OC 32115694 HHYJAXOVTZJJJE-UHFFFAOYSA-N 429.882 1.551 50 40 IDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2oc(=O)ccc2c1 102676147 YDCAABFYWZEKCY-ADFUCPMPSA-N 439.449 1.485 50 40 IDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1COc2ccccc2O1 13057618 GSILWJCWICQDRQ-MRXNPFEDSA-N 448.273 1.556 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NN[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 15510195 IRNHQVZBQZTGIP-HXUWFJFHSA-N 444.557 1.925 50 40 IDGB O=C(COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1 408660574 AYLRTZZJSQNPSC-UHFFFAOYSA-N 448.819 1.971 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 16186926 BIVBGHCGNIXFRN-CIAFOILYSA-N 449.485 1.261 50 40 IDGB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408655807 MGVYFIWOXJCFBV-AWEZNQCLSA-N 445.859 1.706 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 409157047 UNEWLTCVRHSMOM-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB COC(=O)N/N=C(/Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16957909 HEVHFUMBXZGJEX-ZDLGFXPLSA-N 435.305 1.055 50 40 IDGB COc1ccc(CCC(=O)NNC(=O)CN2CCCCCC2=O)cc1Br 28431761 VENWYVLMUZJLAQ-UHFFFAOYSA-N 426.311 1.940 50 40 IDGB COc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 8396540 ZMIIQXLXWATXIB-UHFFFAOYSA-N 442.472 1.486 50 40 IDGB O=C(NNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc2c(c1)OCO2 108110010 BGYZTLGMTCZMSY-CQSZACIVSA-N 446.257 1.992 50 40 IDGB CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C 408539128 TZAHOFPXMODIGK-KRWDZBQOSA-N 438.370 1.987 50 40 IDGB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408685704 QANKSFCKYGTNFC-HRTQJFGHSA-N 436.258 1.942 50 40 IDGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC 20211847 BITGBEIROJOGGX-SRZZPIQSSA-N 439.465 1.768 50 40 IDGB COc1cccc(OCc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2N)c1 25570665 WNOYGNDEMZHOQH-UHFFFAOYSA-N 428.474 1.133 50 40 IDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 104709024 GGZHKDVSASLEDY-QINSGFPZSA-N 449.514 1.175 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408922471 BFDKAZOKBSDVMR-PCXKXAPESA-N 433.486 1.543 50 40 IDGB O=C(O)CC[C@H](NC(=O)c1ccc(NC(=O)CI)cc1)C(=O)O 8622447 MEYHTQLMGAWTDS-JTQLQIEISA-N 434.186 1.108 50 40 IDGB Cc1ccccc1[C@@H](C#N)/C(=N/NC(=O)C(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 16953193 JWSMOVJRBZKVIQ-YZDLTYHYSA-N 446.389 1.722 50 40 IDGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 3391954 CSGGTIUBLXLQAZ-IFXJQAMLSA-N 425.441 1.426 50 40 IDGB COc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 15884523 JEAHMCRGVZZQRP-UHFFFAOYSA-N 433.486 1.320 50 40 IDGB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1 408661848 OPJARXKACWYSLB-OAHLLOKOSA-N 441.440 1.061 50 40 IDGB COc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(Cl)cc3)n2)cc1OC 920597 QVJIBAGWHWZMRI-UHFFFAOYSA-N 430.852 1.862 50 40 IDGB CCn1c(NNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)nc2ccccc2c1=O 11163422 YQLNJRIYFJWYSR-UHFFFAOYSA-N 444.517 1.296 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 409164293 GDUFOTRCRROCMI-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1[N+](=O)[O-] 13752242 TUVFSWSLBKRLAM-DJKKODMXSA-N 429.397 1.427 50 40 IDGB O=C(COc1ccc(Cl)cc1)NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 100418587 OKPPXKLUXBZLKX-OAHLLOKOSA-N 431.832 1.443 50 40 IDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 223161952 UKNJPVPAXQTTLW-FMCGGJTJSA-N 440.456 1.465 50 40 IDGB CN(Cc1c(C(=O)N/N=C/c2cccc(F)c2)nnn1-c1nonc1N)c1ccccc1 2336412 DMIQDFVAWYLMBO-FOKLQQMPSA-N 435.423 1.772 50 40 IDGB Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 32922420 ZYRVKWJINWZWHI-UHFFFAOYSA-N 427.480 1.151 50 40 IDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 58307154 RYRMXASKHWJIBM-UHFFFAOYSA-N 438.531 1.135 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 2444365 YVLBVSDVSXGGBJ-AWQFTUOYSA-N 438.429 1.512 50 40 IDGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1OC 9304684 VXQWJRCGYZMGBO-WYMPLXKRSA-N 427.457 1.826 50 40 IDGB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 10159769 ITJWYSZXSCQDEQ-CQSZACIVSA-N 429.477 1.986 50 40 IDGB CCN(CC)Cc1c(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 15162304 WCKFPMXJYRCQKC-RGVLZGJSSA-N 442.440 1.137 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1OC 16187203 DKIHYNMXKQANQV-YBFXNURJSA-N 436.446 1.383 50 40 IDGB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408688179 WIVREZIICNKDMY-KSXHKMMQSA-N 439.295 1.942 50 40 IDGB Cc1ccc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 9316830 LDWZCCKFFNECRS-UHFFFAOYSA-N 437.283 1.609 50 40 IDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)cc1 12808607 GHZGUWPLPZQUES-KUHUBIRLSA-N 425.441 1.426 50 40 IDGB O=C(NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)cc1 9097137 BCMBPSZXSPHQKV-UHFFFAOYSA-N 439.425 1.903 50 40 IDGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1)NCc1ccco1 58873290 ZNXSXRNZQAREFK-VYYCAZPPSA-N 449.467 1.526 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 408876776 NQIGEGBLENXNTM-CIAFOILYSA-N 449.485 1.163 50 40 IDGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 25424680 YIVCXMQDXBEWSD-LLVKDONJSA-N 429.816 1.329 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409152646 FTICTCLDAWGACF-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 9509591 ATQABCSMWOECDR-CYBMUJFWSA-N 435.889 1.990 50 40 IDGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 16321272 PNPZGDPGKJKWSK-HYARGMPZSA-N 444.513 1.981 50 40 IDGB Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9585404 LEDNCFLEBXUULL-OAHLLOKOSA-N 425.441 1.346 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)n2N)c1 25425112 UQYDRRDRFSVUMO-QINSGFPZSA-N 449.562 1.107 50 40 IDGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(Cc2ccccc2)CC1 32862686 WZFOKLZKUKYKPA-UHFFFAOYSA-N 444.561 1.588 50 40 IDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(C)(=O)=O 408781004 PQVBLKREJBTFIP-FYJGNVAPSA-N 433.486 1.927 50 40 IDGB CN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 13582085 UHQBLGFIILXTKL-CRYYDKFDSA-N 446.467 1.151 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(OC)c1OC 16186899 MAWODHBTUUOBIK-SRZZPIQSSA-N 439.465 1.622 50 40 IDGB COc1ccc(OC)c(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 409141996 ACZUWBAOMIEQLQ-RGVLZGJSSA-N 437.474 1.150 50 40 IDGB CCn1c(NNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)nc2ccccc2c1=O 11160426 XJLOAGDMDLCTCH-CYBMUJFWSA-N 441.513 1.884 50 40 IDGB Cn1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccccc21 24320082 OSWQNTGLNKRFAW-QHCPKHFHSA-N 431.452 1.333 50 40 IDGB COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC 100118522 PKEXJJMZFYZZNS-HNNXBMFYSA-N 427.457 1.896 50 40 IDGB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)n2C)c1 104825727 INJLXXQKGQBUQI-SSZFMOIBSA-N 448.574 1.930 50 40 IDGB O=C(COCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N/N=C/c1cccc([N+](=O)[O-])c1 1741476 DXMLTAOYWHWHGL-LQGKIZFRSA-N 428.361 1.120 50 40 IDGB CCN1C(=O)C(=C(C)NNC(=O)c2ccc(Br)cc2)C(=O)N(CC)C1=S 9165032 PSWDLMSASGYNNM-UHFFFAOYSA-N 439.335 1.953 50 40 IDGB CC(C)n1nc(C(=O)NNC(=O)C2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O 12846740 VLKKXEHXLGCJSE-UHFFFAOYSA-N 425.489 1.387 50 40 IDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1Cl 408866844 GXWPJYLETXRYQI-UFFVCSGVSA-N 438.893 1.120 50 40 IDGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408687118 UJNNCLXRYYYHML-YULKNUEKSA-N 439.295 1.942 50 40 IDGB COc1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c(OC)c1 9423347 YRHIRKVUEIZZEE-RKPNYOAGSA-N 431.470 1.396 50 40 IDGB Cc1ccc(SCC(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 14020497 WZJGVXWKFRPBQM-JOCHJYFZSA-N 438.509 1.628 50 40 IDGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408668255 VFULVCGQEWCTKF-PLOWYNNNSA-N 441.484 1.047 50 40 IDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O 408790032 MILWLHYBPDPECO-KEBDBYFISA-N 439.877 1.963 50 40 IDGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 409246293 AMNZQBWCSKUKMF-WDZFZDKYSA-N 439.209 1.804 50 40 IDGB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1cccc(Cl)c1 3412960 SIZQHWXMPFZFKJ-UHFFFAOYSA-N 443.934 1.426 50 40 IDGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1ccccc1)n2C 9378316 NAGWOPVETFMAHZ-UHFFFAOYSA-N 429.502 1.217 50 40 IDGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 13554953 RFENXKOFWCZITQ-JZJYNLBNSA-N 434.452 1.891 50 40 IDGB CC1=C(C(=O)NNC(=O)c2ccccc2)CC(C(=O)NNC(=O)c2ccccc2)=C(C)N1 73310644 NMBFEDOFNQFPFM-UHFFFAOYSA-N 433.468 1.450 50 40 IDGB COc1ccc(CC(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2376001 GQSPJPCOUBHQEF-UHFFFAOYSA-N 433.486 1.599 50 40 IDGB CCOc1ccccc1/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 30742594 MJHMPDZUOGPGEX-KQWNVCNZSA-N 444.557 1.850 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535564 OCXJOLBCNPDCHC-VOCHOKSYSA-N 439.472 1.634 50 40 IDGB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1 408661846 OPJARXKACWYSLB-HNNXBMFYSA-N 441.440 1.061 50 40 IDGB NC(=O)C(=O)N/N=C1/c2ccccc2C[C@H]1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 17191911 AMYBEIWLALUSRY-GEEKMLKASA-N 433.251 1.311 50 40 IDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CN2CCOCC2)c2ccccc21 19816677 WNDDWIBUWGMRQW-DEOSSOPVSA-N 434.496 1.928 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN(c1ccccc1C)S(C)(=O)=O 25415325 ZCAVANRYWVJOIJ-UHFFFAOYSA-N 425.894 1.884 50 40 IDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2OC)cc1 409261724 AOVXVTVLKCCXJX-FSJBWODESA-N 440.456 1.450 50 40 IDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 1896675 DPKIGKNNZVEHCP-UFFVCSGVSA-N 433.388 1.880 50 40 IDGB IC[C@H]1OCO[C@@H]2[C@@H]1OCO[C@H]2CI 5732432 WTYFFALQRFEFDO-KVFPUHGPSA-N 425.988 1.339 50 40 IDGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(C)=O)cc2)C1=O 408535352 NTCJTYJCNFXUOO-URMYYVDKSA-N 437.412 1.268 50 40 IDGB NS(=O)(=O)c1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)ccc1Cl 9883208 KZLVQRPGFNSVMX-VXLYETTFSA-N 428.923 1.649 50 40 IDGB Cc1ccc(C)c(Cn2c(NCCNC(=O)CCCl)nc3c2c(=O)n(C)c(=O)n3C)c1 57681237 SFCXDXAZZVRMRQ-UHFFFAOYSA-N 446.939 1.256 50 40 IDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 58873067 AXKJQTIJRMDKFP-IWIPYMOSSA-N 426.473 1.697 50 40 IDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccccc1 408881910 MOCZQHUULPOSOU-OYKKKHCWSA-N 433.424 1.623 50 40 IDGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1)NCc1ccccc1 409261239 BGILVXNLZIGLNT-WYMPLXKRSA-N 428.876 1.764 50 40 IDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(I)cc1 869530 AVPFDYDUTXVJFI-UHFFFAOYSA-N 447.210 1.823 50 40 IDGB CCOC(=O)C1=NO[C@@H](Cc2c(/C=C(\C#N)C(N)=O)c(OC)c3c(c2OC)OCO3)C1 15084729 YEIRAWYUYXFBTH-UAWPZABVSA-N 431.401 1.075 50 40 IDGB CONS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 40106468 CICWRMKYXWNPKB-UHFFFAOYSA-N 445.453 1.773 50 40 IDGB Cc1occc1-c1nnc(SCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1C 12785608 VMIMUMAUAQYUPV-HNNXBMFYSA-N 429.458 1.463 50 40 IDGB O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1 39969209 AHMWIGPWZPHAOY-UHFFFAOYSA-N 443.437 1.926 50 40 IDGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCCOC 409165759 BJHAJFBWBKTFHT-MFKUBSTISA-N 440.500 1.869 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2C[C@@H]3C=C[C@H]2C3)c1-c1ccc([N+](=O)[O-])cc1 9360573 FLHQCOUOQOKTQB-CASPZDQTSA-N 435.404 1.736 50 40 IDGB CCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 12289558 JEBPOOVGXTXLMV-UHFFFAOYSA-N 446.323 1.502 50 40 IDGB Nc1nnnn1CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 16480476 CZDZRUXZKDQAHS-AWQFTUOYSA-N 430.266 1.747 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408528108 AUYFXWOBGVWIHR-FZJZADEZSA-N 435.440 1.958 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 409167703 JIKCHYANMOBYDD-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB CSc1nc2nc(C)c(CCC(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)c(C)n2n1 12928103 BOEZFUKVZWSGLV-STQMWFEESA-N 449.581 1.042 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1)NC[C@@H]1CCCO1 16546046 NDEDWDLMTXHVNR-PKOLSWDWSA-N 429.502 1.393 50 40 IDGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1 28213236 UACXPZFMQIJALZ-FSJBWODESA-N 446.529 1.590 50 40 IDGB COc1ccccc1NCC(=O)NNC(=O)Cn1c(S)nnc1-c1cccc(C)c1 32883656 GWSFMYLHGVOMBT-UHFFFAOYSA-N 426.502 1.810 50 40 IDGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1ccc(Br)cc1)CS2 12883564 YAFOHUFMSZFMEQ-WBMJQRKESA-N 428.308 1.429 50 40 IDGB CCc1sc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C 14245827 LXWAZNBGOOQVRU-UHFFFAOYSA-N 431.561 1.493 50 40 IDGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 107872261 AFIUYZZODFXEHG-IXJMWADBSA-N 425.357 1.218 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1OC 408780803 LALQGYKKFQTWLF-RGVLZGJSSA-N 437.474 1.334 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OC)c2O)c1 16187432 YXBMNBYXSWDKMO-JAIQZWGSSA-N 437.474 1.189 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 58873522 CDEKQRSTXIIAPK-ZVHZXABRSA-N 426.473 1.615 50 40 IDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C 408612035 UAQZNBWUZNLCJP-LSHDLFTRSA-N 447.289 1.971 50 40 IDGB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408660532 AEAMZABIWUSVDD-UHFFFAOYSA-N 426.429 1.368 50 40 IDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OC)c1 409165708 AWIULUAUGCFCFF-ZMOGYAJESA-N 426.473 1.861 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1CN1CCCCC1 8826704 FOVAZASPJYJKJT-UFFVCSGVSA-N 429.872 1.636 50 40 IDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1 409332952 TVSKEYCOHBYCIX-YMVIQGDUSA-N 444.513 1.737 50 40 IDGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 9358052 HVONGFHAUWQWMY-FSJBWODESA-N 428.445 1.437 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c(OC)c1 408784977 XFSFOPOWPQXYOL-RGVLZGJSSA-N 435.458 1.318 50 40 IDGB C[C@H](NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9508066 VXHXACSNCAZKLL-HNNXBMFYSA-N 448.570 1.578 50 40 IDGB O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1csc(N2CCOCC2)n1 12972419 XZZFOSXASLBJDH-UHFFFAOYSA-N 437.330 1.910 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccccc1C 15019891 UKCXAPRYEFUTSX-ZVHZXABRSA-N 440.500 1.803 50 40 IDGB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NNC(=O)c1ccccc1Cl 408656661 GCWQQHSOUAYHIR-UHFFFAOYSA-N 429.816 1.611 50 40 IDGB COc1c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408720841 FKABLGMYIBOPON-GIJQJNRQSA-N 426.349 1.315 50 40 IDGB COc1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC 9422329 NCYSNJDUCSLGRN-KWZJRMENSA-N 431.470 1.396 50 40 IDGB COc1cc(C)nc(N2CCC[C@@H](C(=O)NNC(=O)COc3ccc(Cl)cc3)C2)n1 13562902 ARUQHANWJUJMPJ-CQSZACIVSA-N 433.896 1.890 50 40 IDGB COc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O 18181928 HCYBTAHFHZBWRS-CYBMUJFWSA-N 429.429 1.288 50 40 IDGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 1889237632 DQRAMWYAPKXMFZ-PMACEKPBSA-N 434.496 1.231 50 40 IDGB CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)N(CC(N)=O)c3ccccc32)C(C#N)=C(N)O1 9331478 HKOPAACDLKXIIP-XMMPIXPASA-N 444.447 1.498 50 40 IDGB CCn1c(NNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)nc2ccccc2c1=O 11160415 XJLOAGDMDLCTCH-ZDUSSCGKSA-N 441.513 1.884 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2sccc2-n2cccc2)cc1 36396319 RKRUEODPFJWQEN-UHFFFAOYSA-N 432.527 1.929 50 40 IDGB O=C(NNS(=O)(=O)c1cn[nH]c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 72311781 ADRXGNKIJSIWFZ-OAHLLOKOSA-N 427.486 1.425 50 40 IDGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1cccc(Br)c1 947962 IDOMLWJFRNPVOT-RQZCQDPDSA-N 426.296 1.666 50 40 IDGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c(O)c1 2096377 BTJJJTLYFLLZSF-VWXZLZIGSA-N 426.473 1.645 50 40 IDGB COCCn1c(C)nnc1SCC(=O)NNC(=O)c1ccc(Br)cc1 12710104 IDHWPJUHUHDSKH-UHFFFAOYSA-N 428.312 1.549 50 40 IDGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537114 UNNFGNPUHBUQKX-BMYBCIMUSA-N 439.403 1.789 50 40 IDGB O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)N1CCCCC1 408667067 AZDROQIQRMHQQS-KKOKHZNYSA-N 436.144 1.921 50 40 IDGB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)NNC(=O)c1ccc(Cl)cc1 13059332 UQSVVTQRURFLTN-UHFFFAOYSA-N 440.843 1.614 50 40 IDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1 19954939 VXMDCUMLIFJTON-FYJGNVAPSA-N 433.486 1.927 50 40 IDGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 409027993 XDSQLZBSVZDEJC-YBFXNURJSA-N 436.446 1.528 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1C 12983146 COKOUZLNXOAIOW-UHFFFAOYSA-N 425.894 1.744 50 40 IDGB O=C(CNC(=O)c1ccccc1I)NNC(=O)c1ccccc1O 12770448 NGFOCGMOMUVHNT-UHFFFAOYSA-N 439.209 1.188 50 40 IDGB CCCCOc1ccc(-c2nnn(CC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 6481120 JYDPGCISYAZHQP-UHFFFAOYSA-N 439.432 1.888 50 40 IDGB CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2c1=O 17189853 ZUPVDSPGPLDZFI-CYBMUJFWSA-N 437.431 1.370 50 40 IDGB O=C(CNNC(=O)COc1cccc(Br)c1)NCc1ccc2c(c1)OCO2 9540296 IXHWMTQJGVIDLZ-UHFFFAOYSA-N 436.262 1.494 50 40 IDGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1 408647969 VXNAAIXNJYWOCZ-UHFFFAOYSA-N 444.400 1.327 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 408906611 IJZUWMCMLHHECN-WSDLNYQXSA-N 447.513 1.772 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)COc3ccccc3)C2)cc1 12758216 CXQIFIXRAZRIIE-KRWDZBQOSA-N 431.514 1.622 50 40 IDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 2616441 XKJBCTNDBAVWEV-UHFFFAOYSA-N 431.514 1.928 50 40 IDGB Cc1cccc(NC(=O)CSCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 9509671 HMYFCUCLGIXEKZ-UHFFFAOYSA-N 425.470 1.364 50 40 IDGB Cc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 10600641 CLDDZCVWEOCSEE-UHFFFAOYSA-N 430.511 1.770 50 40 IDGB COc1cc(CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc(OC)c1OC 9631514 IWUUTXYRTWSKTG-UHFFFAOYSA-N 426.473 1.922 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 409156594 KQFTVNRUCCCWGA-ZMOGYAJESA-N 426.473 1.534 50 40 IDGB O=C(CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)N1CCCCC1 8449858 RNIBTTRSOQGBAY-DVAYIVIVSA-N 448.155 1.777 50 40 IDGB CN(C)S(=O)(=O)c1cccc(C(=O)NN[C@H](C(=O)N2CCCCC2)c2ccccc2)c1 15510198 IRNHQVZBQZTGIP-FQEVSTJZSA-N 444.557 1.925 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409153310 LCAASADUVSWUEA-BHGWPJFGSA-N 426.473 1.834 50 40 IDGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9339022 QYTLRSNWWCXSHF-UHFFFAOYSA-N 430.417 1.280 50 40 IDGB CCc1nc2ccccc2n1CC(=O)NNC(=O)CCNS(=O)(=O)c1cccs1 9885451 ZDYKIWKXNFGSLV-UHFFFAOYSA-N 435.531 1.176 50 40 IDGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2C)cc1 17095363 SNMAESZZLLNRNL-WYMPLXKRSA-N 427.457 1.582 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3c[nH]c4ccccc34)CC2)cc1 36022840 NCBLEAPQJJTXPT-IWIPYMOSSA-N 439.541 1.933 50 40 IDGB COc1ccc(C(=O)NNC(=O)CN2CCN(CC(F)(F)F)C(C)(C)C2)cc1OC 72308729 NQYNQQFJCUEHMS-UHFFFAOYSA-N 432.443 1.423 50 40 IDGB COC(=O)C[C@@H]1SC2=C(C(=O)N(C)C)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770101 UXHRPHRFENCNFZ-HOCLYGCPSA-N 442.497 1.293 50 40 IDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O 16226943 PFBIRSVWFUCELW-UHFFFAOYSA-N 436.877 1.587 50 40 IDGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 33686265 WNMPQFUEGWJVJX-YBEGLDIGSA-N 437.408 1.443 50 40 IDGB Cc1cc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)no1 408673995 WSFCSZDVICZQNC-KYXWUPHJSA-N 449.099 1.844 50 40 IDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)c1O 2203330 AXXRPAYAOBHYOY-AUEPDCJTSA-N 449.431 1.323 50 40 IDGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 13147985 YVTIEWGHLHZIEZ-UHFFFAOYSA-N 425.850 1.394 50 40 IDGB CCCn1nc(C(=O)NNS(=O)(=O)c2cccc3nsnc23)c2ccccc2c1=O 19108151 ZLXXVQRCHYIVOD-UHFFFAOYSA-N 444.498 1.435 50 40 IDGB COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1CC(=O)Oc1ccc([N+](=O)[O-])cc1 100143195 NJMBEZKOGDWPCS-UHFFFAOYSA-N 440.411 1.666 50 40 IDGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 107872267 AFIUYZZODFXEHG-VYXQJKENSA-N 425.357 1.218 50 40 IDGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccccc1O 408731028 KAWURJCBTYWSNM-VXLYETTFSA-N 426.414 2.097 50 40 IDGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 20922358 FGDLOIAKHLNPKV-ZKTNYTPDSA-N 429.473 1.135 50 40 IDGB COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OC 18180920 PKEXJJMZFYZZNS-OAHLLOKOSA-N 427.457 1.896 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409153569 IJNXCPHMQZONIK-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB COc1cc(/C=C/C(=N\NC(=S)NN)c2sc(NNC(C)=O)nc2C)ccc1O 1630966 ZLJRATCWBGVDDM-MDWZQWPHSA-N 435.535 1.384 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1OC 13510511 UBINSCJKCNKLSO-FOKLQQMPSA-N 448.443 1.989 50 40 IDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1 19953664 IZYMMEIDXSYHGO-HADWXUJASA-N 433.486 1.925 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 409152236 JLHSVBTUZQEBDZ-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB CCOC(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 12560680 KDVJMCUZNVDREG-UHFFFAOYSA-N 438.506 1.046 50 40 IDGB COCCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 13555540 VZXNGMLIGCTXKW-UHFFFAOYSA-N 428.580 1.253 50 40 IDGB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)o2)cc1 100787290 LJKZSNPYFTUBCV-LICLKQGHSA-N 439.449 1.993 50 40 IDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 2398915 PQUORRKCZFOCRL-FSJBWODESA-N 431.460 1.941 50 40 IDGB O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)c1ccc(Br)cc1 10021876 XTDXINJOPYNXAW-UHFFFAOYSA-N 430.255 1.328 50 40 IDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15187339 VQHLAFQAWBBFAF-UHFFFAOYSA-N 429.816 1.808 50 40 IDGB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 24777848 TWUSWLSXDRQJJD-AWEZNQCLSA-N 425.507 1.548 50 40 IDGB CC1CCN(Cc2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)CC1 2357417 KQSMMLRUTKMYPZ-LSHDLFTRSA-N 443.899 1.882 50 40 IDGB COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 2437332 NDULPHWPXLMVSJ-XPTSAGLGSA-N 431.470 1.852 50 40 IDGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1F 15584232 NJZFZXXLAJSGKG-UHFFFAOYSA-N 434.902 1.704 50 40 IDGB O=C(COc1ccc2ccccc2c1)NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 100418592 WVPJLBVMGKMDLL-LJQANCHMSA-N 447.447 1.943 50 40 IDGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2)c1 409255972 MXAVTYRRGGPZRX-ORBAKXMTSA-N 438.484 1.758 50 40 IDGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2cccc(OCC(N)=O)c2)cc1 1874618 AQCRHPDEQJVAPI-FOKLQQMPSA-N 436.428 1.776 50 40 IDGB NC(=O)C(=O)N/N=C1\c2ccccc2C[C@H]1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 5813620 AMYBEIWLALUSRY-CEBXJGAVSA-N 433.251 1.311 50 40 IDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCN(Cc4ccccc4)CC3)nc12 20170765 MXWIPHIFUXOAKR-XMHGGMMESA-N 428.496 1.717 50 40 IDGB COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 100097143 HPNUOBLRLRSJMN-INIZCTEOSA-N 427.457 1.896 50 40 IDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 1764630 MSCOGCUNUSJELU-GFLNRVGBSA-N 434.452 1.246 50 40 IDGB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 32876763 LXVMRNNWGGLCGG-UHFFFAOYSA-N 444.831 1.575 50 40 IDGB CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21 254523736 NUIZURGVIUOSBO-UHFFFAOYSA-N 434.456 1.136 50 40 IDGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 409314935 UKRHDWCPRJWREL-HOTGVXAUSA-N 429.498 1.840 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 2301746 SEULMPQPOQRZOO-RGVLZGJSSA-N 432.458 1.114 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)NCc1ccccc1 9233215 LGXKCDRTHMRRON-AFUMVMLFSA-N 438.484 1.509 50 40 IDGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(S(N)(=O)=O)ccc3OC)ccc21 12527073 XEBSPOYLNZZONF-UHFFFAOYSA-N 431.474 1.095 50 40 IDGB COc1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1S(=O)(=O)N1CCCC[C@H]1C 103072675 DFMKLJZYNRJILR-XUVDNFPMSA-N 435.502 1.740 50 40 IDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc2oc(=O)ccc2c1 9422791 PFIWTDRZVKZTCS-RGEXLXHISA-N 434.452 1.630 50 40 IDGB CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1OC 12897307 POZNVDITVJBQOL-UHFFFAOYSA-N 433.486 1.609 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N/N=C3/C(=O)Nc4ccccc43)C2)cc1 33045695 XRVSBLIPLUKILC-OAHLLOKOSA-N 426.498 1.868 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 409154383 NXRGXVLBHOKLRI-ZMOGYAJESA-N 446.891 1.960 50 40 IDGB COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 16046337 CIGVRTVBAKBYAU-UHFFFAOYSA-N 435.546 1.727 50 40 IDGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)CC2=O)cc1 69923929 LBEHTRQWHDMPOE-HNNXBMFYSA-N 428.514 1.932 50 40 IDGB COc1ccc(OCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2C)cc1 651144 VLWUFTCNYDUACW-UHFFFAOYSA-N 441.513 1.885 50 40 IDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 409157240 VALGHFKYAJYAHC-AFUMVMLFSA-N 440.500 1.924 50 40 IDGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 409233327 FOVPAGDAWIVMEN-WMZJFQQLSA-N 426.223 1.501 50 40 IDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1 409332950 TVSKEYCOHBYCIX-JJTBQNNYSA-N 444.513 1.737 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSCCc2ccccc2)cc1 12763603 BQOVRWWGKGHNEE-UHFFFAOYSA-N 435.571 1.739 50 40 IDGB COC(=O)c1cccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 12770765 TYXQWMKRXZKPEK-UHFFFAOYSA-N 434.474 1.255 50 40 IDGB COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1OCC(=O)N1CCOCC1 15903197 WVGZYZRXNPSFGW-UHFFFAOYSA-N 447.875 1.661 50 40 IDGB COc1cc(/C=C\C(=N\NC(=S)NN)c2sc(NNC(C)=O)nc2C)ccc1O 17215992 ZLJRATCWBGVDDM-XPELHZPKSA-N 435.535 1.384 50 40 IDGB CCN(CC)c1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 29567907 NHXDSAAVQXSEDS-QHCPKHFHSA-N 437.500 1.761 50 40 IDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 58881720 KDVIMVXHCKWTRE-FSJBWODESA-N 426.473 1.996 50 40 IDGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc(Br)ccc2O)n1 408721312 OOPXEXREJOJFEO-AWQFTUOYSA-N 426.234 1.830 50 40 IDGB CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 33028658 KSGMLQHWUFOBFH-LJQANCHMSA-N 427.457 1.583 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)c1 408772832 NIQFUYAFKGWACC-RGVLZGJSSA-N 437.474 1.334 50 40 IDGB CCn1c(SCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nnc1-c1ccco1 9376771 PVRFMYCNQFSJQK-UHFFFAOYSA-N 439.461 1.087 50 40 IDGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 3391958 CSGGTIUBLXLQAZ-AUUYWEPGSA-N 425.441 1.426 50 40 IDGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c(O)c1 5866971 KXENYRLBAKKICW-WYMPLXKRSA-N 425.489 1.877 50 40 IDGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc(O)c3)nnn2-c2nonc2N)c1 9308240 AGOLSADDPZXUFE-SSDVNMTOSA-N 434.416 1.768 50 40 IDGB COc1cc(OC)cc(C(=O)NNC2=C/C(=N/S(C)(=O)=O)C3=C(CC=CC3)C2=O)c1 101181555 QLTJMLUIXXZOGM-QJOMJCCJSA-N 431.470 1.452 50 40 IDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1C 8452159 UZWMZJDTFWWDQN-SSDVNMTOSA-N 432.502 1.084 50 40 IDGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3[C@@H]4[C@H]3[C@@H]3[C@]15C[C@H](O)[C@@H](Br)C[C@@]35[C@@H]42 104283760 PPEJIKFWQLVNPP-TZINABKDSA-N 428.286 1.307 50 40 IDGB CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)N1CCOCC1 409015087 YNPFHXHFUOPGTF-OYKKKHCWSA-N 426.473 1.669 50 40 IDGB COc1cc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc(OC)c1 8993136 BXUHYWXUPHOWJX-KPYNCUPYSA-N 431.470 1.396 50 40 IDGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1[N+](=O)[O-] 3397176 GHYBDVJVXYJHKG-UHFFFAOYSA-N 446.420 1.854 50 40 IDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cc(I)ccc1O 8395921 XBLOSJONAUDSRC-VIZOYTHASA-N 430.162 1.302 50 40 IDGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1cccc(S(=O)(=O)N2CCOCC2)c1 9335308 BADRCFLABQSHNQ-DARPEHSRSA-N 449.488 1.495 50 40 IDGB COc1cc(C(=O)NNC(=O)Cn2nc(O)c3ccccc3c2=O)ccc1OC(C)C 21968801 DQOKWQPRJLSLCO-UHFFFAOYSA-N 426.429 1.359 50 40 IDGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1Cl 408666673 RMFYHKGUSAZNEU-YDOWWZDFSA-N 447.875 1.065 50 40 IDGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)NC2CCCCC2)o1)C(=O)Nc1ccccc1 408774316 CASSETLPGWKIPV-OYKKKHCWSA-N 439.472 1.434 50 40 IDGB COc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1Br 12745170 PYDGZMQRQORVCV-UHFFFAOYSA-N 431.246 1.779 50 40 IDGB COc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1OC 12931540 SNORLDUTKZPKLE-UHFFFAOYSA-N 447.922 1.500 50 40 IDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(=O)O)cc2)c1 34714189 UDEYPUVMNRLBIY-JAIQZWGSSA-N 435.458 1.173 50 40 IDGB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1Cl 408644123 DDZXFLBVVPPVGQ-UHFFFAOYSA-N 448.819 1.971 50 40 IDGB COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1O 3204457 DHSDFCAPMAWHFI-FYJGNVAPSA-N 449.485 1.194 50 40 IDGB COc1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c(OC)c1 9423346 YRHIRKVUEIZZEE-BVTUPMQUSA-N 431.470 1.396 50 40 IDGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 20207554 FOTKFCBKIGBKAO-CIAFOILYSA-N 433.486 1.463 50 40 IDGB O=C(COCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N/N=C\c1cccc([N+](=O)[O-])c1 31723777 DXMLTAOYWHWHGL-KFSYKRRRSA-N 428.361 1.120 50 40 IDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3)CC2)cc1OC 408971888 LLTMCKDZFRMDKD-HYARGMPZSA-N 447.513 1.960 50 40 IDGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1I 675134 OZBOBTNSBNAZSI-WDEREUQCSA-N 446.241 1.952 50 40 IDGB COc1ccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1S(=O)(=O)N1CCCC[C@H]1C 23731406 DFMKLJZYNRJILR-ZPTIMJQQSA-N 435.502 1.740 50 40 IDGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1O 33525565 GSFAQPDFHHMUNG-OQKWZONESA-N 430.530 1.547 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)NCc1ccco1 58873941 GCOSSUKAVGWSIY-LGJNPRDNSA-N 435.440 1.136 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cccc(Cl)c1 409150534 CPYBMNPRTCAAFI-FOKLQQMPSA-N 432.864 1.952 50 40 IDGB O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1cc2c(s1)CCCCC2 40009930 DWZKUMPGGJLEKJ-UHFFFAOYSA-N 432.527 1.517 50 40 IDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 6073807 KHOZLYJPSLUGIN-FYJGNVAPSA-N 431.518 1.482 50 40 IDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccc(O)c1 9292175 ZKOXCYWWJWJPRT-YDZHTSKRSA-N 447.459 1.729 50 40 IDGB CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 25529975 ZNNSEVQKMASGEL-SFHVURJKSA-N 431.514 1.694 50 40 IDGB CCOc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 30742653 VTYWKJPXBDQSFC-KQWNVCNZSA-N 444.557 1.850 50 40 IDGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 1247512 GGHORZCINPCAIN-SFHVURJKSA-N 448.229 1.353 50 40 IDGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1CCC(C)C 12675936 ZRGLWZWYXSQRBH-VBIXMBBUSA-N 435.546 1.905 50 40 IDGB COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1 12752960 KVFKCHTZGWXALH-UHFFFAOYSA-N 445.472 1.691 50 40 IDGB CSc1nc2nc(C)c(CCC(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)c(C)n2n1 12928108 BOEZFUKVZWSGLV-CHWSQXEVSA-N 449.581 1.042 50 40 IDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccccc2F)cc1 13134297 FJDXGPNDOXPLAS-UHFFFAOYSA-N 425.507 1.694 50 40 IDGB COCCN1C(=O)/C(=C(/C)NNC(=O)CSc2ccc(Cl)cc2)C(=O)NC1=S 13150318 HSQOHHGSKWSCRE-UVTDQMKNSA-N 442.950 1.217 50 40 IDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OC)c2O)cc1OC 16187114 BDYBIJNDYFKTJQ-RGVLZGJSSA-N 437.474 1.189 50 40 IDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1 16691609 BFGZSSJZHXTMNP-HYARGMPZSA-N 430.486 1.904 50 40 IDGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)cc1 408783878 OCABZBPYEYNMTJ-UUYOSTAYSA-N 444.469 1.426 50 40 IDGB COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 3087329 XLIKOYSBWUJGNF-FOKLQQMPSA-N 429.429 1.379 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)COc3ccccc3)C2)cc1 12758210 CXQIFIXRAZRIIE-QGZVFWFLSA-N 431.514 1.622 50 40 IDGB C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OCCC)c(OC)c2)c1 32193109 IODZAMOMNQEHCP-UHFFFAOYSA-N 445.497 1.470 50 40 IDGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccccc1 408688728 XEKPIPIDTPYCJI-LHVLRZJLSA-N 425.268 1.634 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)cc1 408877553 VSOISMSBDMSZHN-FMCGGJTJSA-N 427.461 1.208 50 40 IDGB CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 3770022 QPPFUPGVVSZLAT-OCCSQVGLSA-N 432.889 1.596 50 40 IDGB CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccccc1Cl 3770023 QPPFUPGVVSZLAT-GXTWGEPZSA-N 432.889 1.596 50 40 IDGB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=S)NC[C@@H]2CCCO2)C(C)C)c1 26800896 AWLWUORIDQACFW-WMLDXEAASA-N 438.550 1.133 50 40 IDGB CCOc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)ccc1O 39986663 FAAUEHQHXSNDNU-MTJSOVHGSA-N 435.502 1.879 50 40 IDGB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 408656380 NMRJXOHXZIWSCZ-ZDUSSCGKSA-N 445.859 1.706 50 40 IDGB N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2203788 YFYODABUBGGRNY-KNTRCKAVSA-N 429.480 1.797 50 40 IDGB Cn1c(SCC(=O)NNC(=O)c2cccs2)nnc1[C@H]1COc2ccccc2O1 13138164 QSFLULKCCLBFEJ-CYBMUJFWSA-N 431.499 1.942 50 40 IDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1OC 16692797 KGHWHTXASWVPQM-FYJGNVAPSA-N 435.502 1.873 50 40 IDGB COc1ccc(/C=N\NC(=O)CN(CC(=O)N/N=C\c2ccc(OC)cc2)N=O)cc1 31623550 WHRKPROTCIBBTG-IINORCHSSA-N 426.433 1.288 50 40 IDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)NC1CCCCC1 59959872 WGSJVVMYHCWWME-BBMHEYIBSA-N 430.505 1.260 50 40 IDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1[N+](=O)[O-] 100572015 DAAPZQPGYYYJOB-ZDUSSCGKSA-N 433.218 1.924 50 40 IDGB COc1cc(OC)cc(C(=O)NNC2=C/C(=N/S(C)(=O)=O)c3ccccc3C2=O)c1 101027887 HODWOTGSWVUNFX-QJOMJCCJSA-N 429.454 1.467 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1-c1ccc([N+](=O)[O-])cc1 1898480 IVDRHXLXUGZNNA-AWQFTUOYSA-N 435.360 1.277 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c(OC)c1 408781608 CSVFDCRPTKUXKG-FYJGNVAPSA-N 434.518 1.686 50 40 IDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cccc(C)c1C 409157398 QQCIBFMWAKCZDI-WYMPLXKRSA-N 426.473 1.916 50 40 IDGB Nc1nnn(CC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)n1 2319402 LYVCQDZWJQGZPR-AWQFTUOYSA-N 430.266 1.747 50 40 IDGB Cc1sc2nc(CC(=O)NNC(=O)Cc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C 12584816 FSTQAAGCWRTHCZ-UHFFFAOYSA-N 428.470 1.305 50 40 IDGB CCN(CC)Cc1c(C(=O)N/N=C/c2c(C)cc(C)cc2C)nnn1-c1nonc1N 2337447 AIBLVODOKYOLFM-LSHDLFTRSA-N 425.497 1.763 50 40 IDGB COc1cc(C(=O)NNC(=O)c2ccccc2Cl)ccc1OCC(=O)N1CCOCC1 12974466 HWZKHEHXEYFLDE-UHFFFAOYSA-N 447.875 1.661 50 40 IDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)CC1 13648648 UMEWXVCPGMMGSZ-NBVRZTHBSA-N 446.511 1.961 50 40 IDGB O=C(NNC(=O)c1cc(F)ccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 14187868 AHLOVFMFCICSIA-UHFFFAOYSA-N 425.413 1.061 50 40 IDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3C(=O)O)CC2)cc1 16712416 BZVPLSZHDPNZQV-HMAPJEAMSA-N 444.513 1.150 50 40 IDGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 110515479 GPTGDDCPPYDQDC-GRDNDAEWSA-N 438.575 1.005 50 40 IDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1OC 409255094 HDHJXMZCXQGDTI-FOKLQQMPSA-N 435.864 1.880 50 40 IDGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 8452185 NHTMRAHYBCQETA-SRZZPIQSSA-N 437.449 1.294 50 40 IDGB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NNC(=O)OC(C)(C)C 19079631 BRGKSOUYTDSIJD-GFCCVEGCSA-N 429.524 1.550 50 40 IDGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2)c1 409253398 BEWOYVHBXUZJKM-HMHIXTCJSA-N 438.484 1.758 50 40 IDGB CC(=O)NNc1nc(C)c(C(/C=C\c2cccc([N+](=O)[O-])c2)=N\NC(=S)NN)s1 5832230 FDKQKUSMOURFJK-BJBKUOGNSA-N 434.507 1.578 50 40 IDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 408607696 NSKIFLSXLGDMRP-ZMOGYAJESA-N 442.472 1.234 50 40 IDGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3O)c(C)c(C#N)c2=O)cc1 409059512 RTRSZTXJVZBYGG-MSXFZWOLSA-N 433.424 1.899 50 40 IDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1-c1cccs1 9308289 HTSARXXWDUVGGV-QGMBQPNBSA-N 425.390 1.633 50 40 IDGB CCN(CC)Cc1c(C(=O)N/N=C(\C)c2cccc(OC)c2)nnn1-c1nonc1N 9334787 HOIIPDKPPXLZST-CIAFOILYSA-N 427.469 1.237 50 40 IDGB CC(C)C[C@@H](C(=O)NNC(=O)c1ccccn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9390482 FPLNGVPSOKFDII-HNNXBMFYSA-N 425.401 1.462 50 40 IDGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2NC1=O 9910719 PCDHBNVPOHRTIH-JTQLQIEISA-N 433.515 1.487 50 40 IDGB CCn1nc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2OC)c2ccccc2c1=O 12760102 PWCNLXQDYHKOPB-UHFFFAOYSA-N 440.456 1.446 50 40 IDGB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28286821 IQXRQBNOAOXBBW-UHFFFAOYSA-N 427.826 1.297 50 40 IDGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 408731035 KBWGUDKTBIQCTG-OEAKJJBVSA-N 427.457 1.462 50 40 IDGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 408782692 ITMNGIJFFJCDAO-AWQFTUOYSA-N 439.877 1.994 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c1 408785637 IJELOLKFKNCVTD-RGVLZGJSSA-N 435.458 1.318 50 40 IDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409144835 LHPXGOLJKMMFMM-RGVLZGJSSA-N 437.474 1.150 50 40 IDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 409161575 VXIVIKUYMGXJKT-NUGSKGIGSA-N 436.827 1.701 50 40 IDGB COc1cc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 16946686 XFTVZRVPVJPEPN-HYARGMPZSA-N 446.529 1.166 50 40 IDGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 110515483 GPTGDDCPPYDQDC-ZQIUZPCESA-N 438.575 1.005 50 40 IDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc2ccccc12 2242802 SBZHYRUKXVRMIR-FSJBWODESA-N 433.476 1.991 50 40 IDGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 12942686 NJRBLNGMGBYKET-KRWDZBQOSA-N 432.498 1.860 50 40 IDGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1=COCCO1 17397212 UOHFKLCSNAYNMY-UHFFFAOYSA-N 437.861 1.790 50 40 IDGB O=C(CCN1CCOCC1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 13401650 SANGJEJSQLYSIX-UHFFFAOYSA-N 426.542 1.563 50 40 IDGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1ccccc1Cl 33574416 HJRQNRPWOPNSJA-SRZZPIQSSA-N 429.872 1.636 50 40 IDGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC)cc1 409156479 SKGZPFCXNXVOHA-MFKUBSTISA-N 440.500 1.869 50 40 IDGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 1898591 BWSQFVNEGFAJMX-UFFVCSGVSA-N 449.387 1.580 50 40 IDGB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NNC(=O)c1cccs1 8825929 IGVNNLSGXOEOMR-UHFFFAOYSA-N 434.430 1.111 50 40 IDGB C[C@@]1(NC(=S)SSC(=S)N[C@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1 12174367 WCXMGOYWIPEICD-VXGBXAGGSA-N 448.704 1.271 50 40 IDGB O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 95459093 STKDGNFZGHEHTQ-UHFFFAOYSA-N 429.839 1.671 50 40 IDGB COc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OC(C)=O 408720625 ANGNBTDEPZJZBY-AUEPDCJTSA-N 449.427 1.753 50 40 IDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(C)(=O)=O 408781983 FVKXRTKNFRCWRP-KEBDBYFISA-N 441.893 1.979 50 40 IDGB COc1ccc(/C=N/NC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 1598016 DKWHASKFIBQLFR-GIJQJNRQSA-N 432.349 1.498 50 40 IDGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C(C)C)cc1 39210844 XCOZONDTKPMMOP-LJQANCHMSA-N 447.513 1.302 50 40 IDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 857163 RGBJCXZWFHTIKO-CQSZACIVSA-N 433.218 1.924 50 40 IDGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1ccc(I)o1 1877372 SOJBXAPJLHLZHB-NGYBGAFCSA-N 441.181 1.493 50 40 IDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)[C@H]2COc3ccccc3O2)c1 9403921 UGSPTGYMPQSUBL-MRXNPFEDSA-N 436.515 1.095 50 40 IDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1 408771018 DGUBBMBTJYROCP-YBFXNURJSA-N 436.446 1.528 50 40 IDGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 408922824 SWZJPYSUXUXMIQ-KGENOOAVSA-N 433.486 1.773 50 40 IDGB COc1cccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O 8824676 FSWRNTOUICUTCU-PXLXIMEGSA-N 447.513 1.505 50 40 IDGB COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9368554 KZGPSVMVCRWZPV-OEAKJJBVSA-N 444.513 1.360 50 40 IDGB CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccc(Br)cc1 16186947 BHMYHVORXLBKDJ-VCHYOVAHSA-N 426.292 1.926 50 40 IDGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408657379 JSKCOEMFPOBWHS-UKTVDESPSA-N 447.875 1.064 50 40 IDGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1 408729198 BEJMURDXDPAAKS-FZSIALSZSA-N 426.252 1.681 50 40 IDGB Cc1c(Cl)cccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409328772 ARJLQNBIVKDUON-RELWKKBWSA-N 434.905 1.911 50 40 IDGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N 2220854 YVAJNYQSRUSEME-FSJBWODESA-N 431.460 1.725 50 40 IDGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 2254586 BUGYSUNPHYVFCH-YYDJUVGSSA-N 438.484 1.403 50 40 IDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3)o2)cc1 408873650 ULTUFFRGKHBOJO-QFEZKATASA-N 447.451 1.932 50 40 IDGB C#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1I 408998248 UETSBCVOHIWMER-WQRHYEAKSA-N 427.242 1.086 50 40 IDGB