smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 6985085 UCNCHHJCJYRSNW-UHFFFAOYSA-N 395.868 2.186 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)CCN2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 100854402 KFXWCDTXHOGDKU-LKNISHRZSA-N 398.507 2.404 50 40 GEGB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408683250 HSLZXXBJUPZGSU-BOCQSXMYSA-N 399.172 2.243 50 40 GEGB C[C@@]1(C(=O)NNC(=O)c2ccc(Br)cc2)C[C@@H]1Br 2300681 LIGQBXSDWRSGON-JOYOIKCWSA-N 376.048 2.384 50 40 GEGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 12137416 ORWFYGMLTVBJPX-IBGZPJMESA-N 397.475 2.396 50 40 GEGB CCn1c(NNC(=O)CCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 14092741 VKUKBRJTCBYXQW-UHFFFAOYSA-N 380.404 2.221 50 40 GEGB O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]12)N(C(=O)c1ccccc1)[C@H]3C#Cc1ccccc1 104395321 IBAKJKSWHOXCJI-FDKIHUSFSA-N 383.403 2.433 50 40 GEGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408903834 ABMSDLKQCXGGDA-LZYBPNLTSA-N 376.350 2.451 50 40 GEGB COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408923037 DUDAPTXHXNYCFL-NFECSFHCSA-N 375.450 2.000 50 40 GEGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1OCC 409336339 RPHBMSCQWBPECN-QRVIBDJDSA-N 397.431 2.278 50 40 GEGB Nc1ccc(-c2ccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)cc2)cc1 575425493 ZCUKAJRMPVUETP-JKSUJKDBSA-N 379.869 2.462 50 40 GEGB COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@H](Br)[N+](=O)[O-] 1905536 PWNPQGKYCNNKRX-GXSJLCMTSA-N 394.605 2.384 50 40 GEGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1cncn1-c1ccccc1 7131812 XXKISKJATBKMJI-UHFFFAOYSA-N 376.825 2.149 50 40 GEGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)c1 8167657 XGGNKJQPTWGOND-DJKKODMXSA-N 377.784 2.152 50 40 GEGB COc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 11656573 AHDQZFRSQCSTED-QWHCGFSZSA-N 376.384 2.217 50 40 GEGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)ccc21 40144413 JXCGFWXMCCUWOU-UHFFFAOYSA-N 390.443 2.471 50 40 GEGB NNC(=O)c1ccc2[nH]c(-c3ccc(I)cc3)nc2c1 226235522 YFBZOFKAOUAAAY-UHFFFAOYSA-N 378.173 2.438 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(C)(=O)=O 408923458 XZFMEOLKIINQPE-SFQUDFHCSA-N 381.479 2.063 50 40 GEGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCC#N)c(I)c1 59334206 PDZUKNKPSHMYKJ-XFFZJAGNSA-N 381.173 2.189 50 40 GEGB Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101303578 CAUNOJBFFFMJKF-OXLCNLPBSA-N 393.317 2.489 50 40 GEGB NNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 4553334 WQMSOFQNCAXIRW-UHFFFAOYSA-N 388.276 2.174 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 408926990 XFUGHSLKMUYUHE-UDWIEESQSA-N 389.477 2.228 50 40 GEGB COC(=O)c1c/c(=N/NC(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc2o1 31841784 KNBWLAJELSZZCK-KQWNVCNZSA-N 393.399 2.489 50 40 GEGB COc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 12292234 OMSLUSPVMAPCMN-QFBILLFUSA-N 375.432 2.059 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1F 52411001 POPRPQJMPOTIHH-LLVKDONJSA-N 375.787 2.293 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2=O)cc1 59474745 GSIZITLKJQLIKM-XHADFYDMSA-N 395.415 2.317 50 40 GEGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNC(=O)c1ccc([N+](=O)[O-])cc1 4413404 KLZPGYKEMOJQMJ-GZTJUZNOSA-N 379.376 2.444 50 40 GEGB O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(=O)O)cc1 3088677 PNERAPPODXITHB-ODCIPOBUSA-N 394.214 2.458 50 40 GEGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1cccs1 102622886 CQPJBPJMOHKODA-ZNOWBECESA-N 385.235 2.045 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 672554 SIBLADDVPVHCSA-UHFFFAOYSA-N 394.181 2.441 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C 58911681 LZOOCUPTVBLDSP-YDZHTSKRSA-N 384.480 2.314 50 40 GEGB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3cccc(B(O)O)c3)n2)cn1 585295137 MVNCAGUENRCYTG-NRFANRHFSA-N 399.263 2.109 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 2146052 OJJXMBRVLXUZAI-NVAXRVGSSA-N 378.432 2.374 50 40 GEGB biogenic C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 9365305 AZZHSCGNFCQYPF-BZNIZROVSA-N 376.796 2.095 50 40 GEGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1(CC(=O)O)CCCCC1 12800858 DOAFYUVLLIMFDP-AWEZNQCLSA-N 387.436 2.288 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)OC(C)C 408601180 IXNIAQVBQOFEFH-SRZZPIQSSA-N 386.404 2.495 50 40 GEGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 1876390 WMVBZPNDLUXGDJ-KEBDBYFISA-N 395.375 2.323 50 40 GEGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 409058756 SWGZYUMYABYLJJ-VCHYOVAHSA-N 388.336 2.300 50 40 GEGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)OCCCl 4578156 VYHQQTMVRAGCGR-OAHLLOKOSA-N 398.887 2.411 50 40 GEGB CCN(CC)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(C)s2)cc1 9376045 SYPPXIBFAJXDFC-UHFFFAOYSA-N 388.493 2.094 50 40 GEGB CC(C)C[C@H](NC(N)=O)C(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 5701155 ZQWAVNLDRUQLQW-NSHDSACASA-N 391.419 2.106 50 40 GEGB CCCCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100841902 RKFABTAMHDTJEP-LOFJQREMSA-N 379.416 2.494 50 40 GEGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(N)=O)c2ccccc21)OCC 105017426 GFXYRIMRRADHFC-GFKCFYGZSA-N 384.436 2.432 50 40 GEGB CN(C)N(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 8939262 DOKZEVSZTJGVII-FVOPLDGLSA-N 377.293 2.499 50 40 GEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 409007187 UXZGEGNZNYDAIN-MFKUBSTISA-N 388.427 2.427 50 40 GEGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCOCC2)o1 409010331 JWLROQVUSCBBCR-WOJGMQOQSA-N 390.421 2.267 50 40 GEGB O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 6225034 ZZVDSUJZZJSQHO-UHFFFAOYSA-N 393.355 2.335 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 101314042 OCVCQIYQFZGVDP-CVQDRVJJSA-N 397.280 2.319 50 40 GEGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(F)cc2)c(C)c1 2136056 XVETURMCBONVFW-UHFFFAOYSA-N 375.425 2.157 50 40 GEGB CCC[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 12794918 ZXCDADAOEWRNCZ-OAHLLOKOSA-N 378.432 2.278 50 40 GEGB Cc1cc(C(=O)CCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c(C)s1 6648713 SQWXUMCCVGPCTO-UHFFFAOYSA-N 398.444 2.026 50 40 GEGB C=CCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408706552 BIOLUUJXFWKCOR-WSDLNYQXSA-N 380.404 2.189 50 40 GEGB COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCBr)c1 4629536 YPJPQLQHIAGUCY-CQSZACIVSA-N 384.226 2.383 50 40 GEGB C/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1OCC(N)=O 1009049 RFEWEWBMTIALHC-GIJQJNRQSA-N 380.198 2.060 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)cc1OC 6558039 RWCFNSAKGNWXIE-UHFFFAOYSA-N 384.432 2.423 50 40 GEGB Cc1ccccc1Cn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O 10104388 RHKLMXPQDDKCRX-UHFFFAOYSA-N 385.855 2.053 50 40 GEGB CN(C)CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21 13756405 RGZCVQKGEPUMFG-PYCFMQQDSA-N 386.839 2.105 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccccc1F 408776565 VYYUSWFFIXBCNX-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1ccc(/C=N/NC(=O)CSc2nnc(C)s2)c(OC)c1OC 4508796 IRMWQHVSHQZXEK-FRKPEAEDSA-N 382.467 2.115 50 40 GEGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(Cl)c1O 4721091 QYKQCWGNWUPXOX-QGMBQPNBSA-N 379.756 2.492 50 40 GEGB O=C(NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 6241642 YXCBAYFFEZSVOO-NONVJHHQSA-N 384.432 2.292 50 40 GEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(F)cc1 23109258 LKTVZJYVDWNZGE-UHFFFAOYSA-N 383.354 2.250 50 40 GEGB O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)[C@@H](Cl)C1 575422998 NHCPXQWMONBNPX-HOTGVXAUSA-N 391.942 2.417 50 40 GEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 5006507 VGIRHPHSPPIYRG-GHRIWEEISA-N 385.464 2.184 50 40 GEGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 109339357 GODPUHUBSRJQSA-ZDLGFXPLSA-N 388.336 2.300 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 59960675 OONRZZSMVVJXMT-WSDLNYQXSA-N 390.871 2.350 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)c2ccc(O)cc2)ccc1Br 5925241 YBOXKINDUVRKGM-UHFFFAOYSA-N 379.210 2.303 50 40 GEGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)[C@@H](C#N)C(=O)N1 9332155 PYYWIGGYRPBYEC-DYVFJYSZSA-N 385.445 2.470 50 40 GEGB CCn1c(NNC(=O)c2cc([N+](=O)[O-])ccc2NC)nc2ccccc2c1=O 12533999 MTLVCJVZPDDLMZ-UHFFFAOYSA-N 382.380 2.123 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101301178 WPYDJQGGLBTLBY-SGVFRHMUSA-N 379.290 2.180 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1Cl 59515454 HZAFRYHZMREGQV-KEBDBYFISA-N 391.811 2.455 50 40 GEGB O=C(NN[C@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 23343381 XATSADGHFXTNJU-CRAIPNDOSA-N 396.403 2.163 50 40 GEGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl 716358 AEYPMWZYEXSZSY-QWHCGFSZSA-N 379.825 2.137 50 40 GEGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)NCC(C)C 4697859 NETULTMFRZKMHN-FOKLQQMPSA-N 386.374 2.298 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 5697879 LDGLKCOYVVSOJI-UBHSHLNASA-N 380.828 2.230 50 40 GEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2cccc3ccccc23)cc1 5900238 MAEGWYWOXZLFKN-UHFFFAOYSA-N 397.456 2.350 50 40 GEGB CNc1snc(C)c1C(=O)NNC(=O)c1ccc(Br)s1 7814878 JMEJPNJSEFVXMH-UHFFFAOYSA-N 375.273 2.392 50 40 GEGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1 2316518 IQUHGHQWGKQCCE-RMKNXTFCSA-N 375.475 2.035 50 40 GEGB COc1ccc(-c2cc(C(=O)NNC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 103248811 FRVIXOMYZCWYSV-CORIIIEPSA-N 385.493 2.383 50 40 GEGB CC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(OCC(N)=O)cc1 1005782 ONYMUCGJVJSHEZ-UNOMPAQXSA-N 394.225 2.450 50 40 GEGB CCn1c(NNC(=O)c2ccc3c(c2)CCC(=O)N3)nc2ccccc2c1=O 14199469 IYONAYUUTXEBNQ-UHFFFAOYSA-N 377.404 2.058 50 40 GEGB O=C(NCc1ccc(/C=N/NC(=O)c2ccccc2)o1)C(=O)Nc1ccccc1 408867592 LTBRROXLFMFSJD-OEAKJJBVSA-N 390.399 2.298 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 409271778 NACZKDHWVOSDHU-DJKKODMXSA-N 377.784 2.152 50 40 GEGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 8336657 ZPAMNDUUVZFQEX-CAOOACKPSA-N 375.410 2.253 50 40 GEGB O=C(Cc1ccccc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109357 KRUYCZIILWDMCO-UHFFFAOYSA-N 379.391 2.039 50 40 GEGB O=[N+]([O-])[C@@]12CC=C(OCCCl)[C@]([N+](=O)[O-])(CN(Cc3ccccc3)C1)C2 100095405 XLXZSWPVZWFUCK-IAGOWNOFSA-N 381.816 2.466 50 40 GEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 408799863 IRMHWBBHCXUNCZ-CPNJWEJPSA-N 393.443 2.051 50 40 GEGB N#C/C(=C\c1cn(CCC(=O)O)nc1-c1ccc(Br)cc1)C(N)=O 3273803 QPZUWWDORCRYIS-YRNVUSSQSA-N 389.209 2.180 50 40 GEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21 12920983 IZQZFUPHTOMFPL-MRXNPFEDSA-N 388.807 2.476 50 40 GEGB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccco1 8238566 ROCYTLWWEFYTTA-BFKIHDCISA-N 387.480 2.398 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)Cc1ccccc1 6584693 ZGFKRTRCVAPJPX-YBFXNURJSA-N 379.869 2.252 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)CCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 4139839 KFXWCDTXHOGDKU-RTPJGGKSSA-N 398.507 2.404 50 40 GEGB O=C(CCCC[C@H]1CCSS1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 79491878 SCFJBOGBFPWPLA-GJZGRUSLSA-N 392.612 2.032 50 40 GEGB CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1O)c1cccc2ccccc12 252602778 FLHTVRCJALGVIC-UHFFFAOYSA-N 397.456 2.462 50 40 GEGB CC(C)COc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccco2)cc1 17272368 FWRMLNCZUDPEPH-UHFFFAOYSA-N 387.436 2.286 50 40 GEGB O=C(COc1ccc(Br)cc1Cl)NNC(=O)C(F)(F)F 8376972 XEAZXMQXBHUURZ-UHFFFAOYSA-N 375.528 2.191 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)CNc2nc3ccccc3s2)c1 12978924 GBBVUIMQRQFRPB-UHFFFAOYSA-N 386.433 2.187 50 40 GEGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1OC 59483775 BMLZIEJQYYVONE-WSDLNYQXSA-N 389.839 2.166 50 40 GEGB COc1cccc(CC(=O)N/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)c1 409245691 XPCDTHFQIUJSFU-KUARTLJMSA-N 386.404 2.249 50 40 GEGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4ccccn4)c(=O)c23)C1 4482821 YWJZOVOASJBHEQ-PIDKYCEWSA-N 381.461 2.128 50 40 GEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cn1nnc(-c2ccccc2C#N)n1 4501897 JGECJBAGGXVLOK-SSDVNMTOSA-N 384.403 2.152 50 40 GEGB Cc1nc(-c2ccccc2)sc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 8848341 RYJDGXQGRIDZKM-AWEZNQCLSA-N 379.507 2.224 50 40 GEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 58884877 QKNGNDHYPADQLJ-YBFXNURJSA-N 386.364 2.091 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1OCC 59461587 XKHFULDQJZHTLZ-BUVRLJJBSA-N 398.463 2.426 50 40 GEGB CCOC(=O)NC(=O)/C(C#N)=C\NNc1ncc(C(F)(F)F)cc1Cl 100219606 ONHZCOKRBCZFJS-ALCCZGGFSA-N 377.710 2.350 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl 408616407 YUNDQWUYTIDWCR-NSHDSACASA-N 375.787 2.293 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 408782112 HOCOECCZQRSWPE-UDWIEESQSA-N 393.440 2.141 50 40 GEGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 408864924 ACGQYBMAQYYZER-GRSHGNNSSA-N 387.348 2.006 50 40 GEGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6653061 URTIUEHAKVGDSG-MDZDMXLPSA-N 377.360 2.459 50 40 GEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 409027800 FDXHEOULPVOLOD-UDWIEESQSA-N 377.441 2.304 50 40 GEGB COc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 408828913 JYFKHGYFBDLVJE-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2C1 7962697 XVGXPABEURQFJZ-WCQYABFASA-N 398.550 2.095 50 40 GEGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccs1)OCc1ccccc1 408992875 UVNYDBLGLIBBSF-ZTBJCTOSSA-N 397.460 2.459 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1Br 13009465 BDRVRKUBKCXMAB-UHFFFAOYSA-N 393.193 2.261 50 40 GEGB O=C(NNC(=O)c1ccccc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 17067776 FBVFKWCCAYGGNQ-UHFFFAOYSA-N 382.807 2.071 50 40 GEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccccc1O 6218130 JUWSAHFKLQNGNZ-XMHGGMMESA-N 375.450 2.007 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(C)=O 6684260 NYNGNCSYJWEVML-AWQFTUOYSA-N 386.360 2.122 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1O 2340581 QYFQELNUOQPYGV-CAOOACKPSA-N 397.172 2.164 50 40 GEGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1 9329864 DSILYYSWCZECAP-CQSZACIVSA-N 388.445 2.289 50 40 GEGB O=C(Cc1ccc2c(c1)CCO2)NNC(=O)c1ccc(Br)cc1 14049537 FAXYUAZHJGHBDC-UHFFFAOYSA-N 375.222 2.388 50 40 GEGB COc1ccccc1OCC(=O)N/N=C1/SCC(=O)N1Cc1ccccc1 33323928 HRUGVYNTOPNIGL-XUTLUUPISA-N 385.445 2.237 50 40 GEGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1cccc(Br)c1 59444382 HKDBXVGVBATJDO-GIJQJNRQSA-N 390.193 2.236 50 40 GEGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408606750 ARVZPYWIWCQPSW-UFFVCSGVSA-N 375.812 2.124 50 40 GEGB COC(=O)[C@H](Br)[C@@H](CCCN1C(=O)c2ccccc2C1=O)OC 1708937 MNZQZIFGDCWBCL-CHWSQXEVSA-N 384.226 2.014 50 40 GEGB Cc1c(C(=O)NNc2nc(-c3ccncc3)no2)nnn1-c1ccccc1Cl 103521406 JGTBSTJACTZAMV-UHFFFAOYSA-N 396.798 2.431 50 40 GEGB NC(=O)N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 408891416 QHJDGFHGLSUKGS-RQZCQDPDSA-N 398.238 2.219 50 40 GEGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(OCC(N)=O)cc1 5942288 BWJXBPZUGMQKNJ-KRWDZBQOSA-N 387.399 2.159 50 40 GEGB O=C(CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21)Nc1ccccc1 13550280 ZPDPWQKTWXAOSS-QQTULTPQSA-N 399.410 2.201 50 40 GEGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1 7141213 LURNTWYLKJPFHH-UKTHLTGXSA-N 385.405 2.434 50 40 GEGB CCCc1c(C(=O)N/N=C/C(C)=C/c2ccccc2)nnn1-c1nonc1N 2453670 MMVKWNGWACQFIJ-NWJYFZRPSA-N 380.412 2.004 50 40 GEGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2726876 HXUJUKPLPBBFHO-DJKKODMXSA-N 397.840 2.427 50 40 GEGB O=C(CCNC(=O)c1ccccc1)NNC(=O)CSc1ccc(Cl)cc1 7653400 VKHZEYYQXNJPBI-UHFFFAOYSA-N 391.880 2.400 50 40 GEGB Cc1cccc(C(=O)NN/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408535924 UQYDYRLFCSWZAZ-JLHYYAGUSA-N 398.806 2.050 50 40 GEGB CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408531033 KFUJZFIDHXWXBG-GFCCVEGCSA-N 385.218 2.143 50 40 GEGB CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12766116 KQQFXRFDEMWORZ-UHFFFAOYSA-N 381.841 2.312 50 40 GEGB COc1ccc(OCC(=O)N/N=C/c2ccc(O)c(O)c2)c(Br)c1 1437627 IWWJGSVPIUXVBZ-QGMBQPNBSA-N 395.209 2.398 50 40 GEGB Cc1cccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)c1 928732 DAHBRGOCNBVFKU-UHFFFAOYSA-N 397.460 2.049 50 40 GEGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NNC(=O)c1ccc(Br)cc1)OC2=O 100260576 UCIXLLGDWVFKGP-IAGOWNOFSA-N 395.253 2.332 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(C)(=O)=O 408926617 VAJRBNGMRKYBTK-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NNC(=O)c1cccs1 6658506 MJOLRLCHBBYAMV-UHFFFAOYSA-N 386.458 2.052 50 40 GEGB CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccccc1)c1ccc(OC)cc1 5718931 FSZXZKPWLIHLGW-HMMYKYKNSA-N 389.477 2.392 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 19954931 JFXVKDQCEMDEPY-UDWIEESQSA-N 393.440 2.141 50 40 GEGB N#CC(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O 20150298 IROXCUZVROCFRB-UHFFFAOYSA-N 396.454 2.447 50 40 GEGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COC(=O)C1CC1 1107252 DSCBBMORJIHJFV-KRWDZBQOSA-N 380.404 2.398 50 40 GEGB Nc1nnc(CC(=O)N/N=C/c2cccc(OCCOc3ccccc3)c2)s1 1752292 IWIZRXVCGOHVJB-FYJGNVAPSA-N 397.460 2.271 50 40 GEGB Cc1cc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c(C)o1 6509706 JXABXYUXDDRZLD-CQSZACIVSA-N 378.816 2.111 50 40 GEGB COc1cc(/C=N/NC(=O)c2cc(O)nc3ccccc23)c(O)c([N+](=O)[O-])c1 9331248 MACLGDAFPGOGFF-DJKKODMXSA-N 382.332 2.327 50 40 GEGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccccc1[N+](=O)[O-] 12377643 TVCFKNHDZJSZIG-UHFFFAOYSA-N 389.165 2.444 50 40 GEGB CCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](Br)CC)cc1 8733076 ZERLPQYZJDNUKT-CYBMUJFWSA-N 385.258 2.482 50 40 GEGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1 408827987 IFTVLTZQHADZNL-GDNBJRDFSA-N 394.431 2.275 50 40 GEGB CN(NC(=O)Nc1ccccc1F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 97164992 CLZPRAXNKHMQKE-UHFFFAOYSA-N 395.435 2.467 50 40 GEGB C/C(=N/NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1)c1ccc(O)cc1O 5612672 PVSVZEFWQACLOB-NDENLUEZSA-N 395.375 2.405 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1O 8043489 LBVNSUBQJOKBSH-VIZOYTHASA-N 386.145 2.362 50 40 GEGB COc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 11656560 AHDQZFRSQCSTED-OLZOCXBDSA-N 376.384 2.217 50 40 GEGB Cc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(O)=NC2=S)c1 17138185 AWCVBTDTBUSDCN-RVDMUPIBSA-N 380.429 2.402 50 40 GEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1cc2c(s1)CCC2 30599259 VXPOSLODHWNJOA-ZDUSSCGKSA-N 387.461 2.143 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(C)(=O)=O 408783913 QQFALBNCXYTPAR-UDWIEESQSA-N 389.477 2.228 50 40 GEGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(C(F)(F)F)c1 6173875 KUMMUCVSQJVAPU-UHFFFAOYSA-N 376.294 2.017 50 40 GEGB COc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 11656568 AHDQZFRSQCSTED-STQMWFEESA-N 376.384 2.217 50 40 GEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1 408732742 YESCLRQGBSSBMQ-WOJGMQOQSA-N 375.454 2.455 50 40 GEGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)N1CCN(c2ccccc2)CC1 408778398 FNLGPNBGDMTNDA-JXAWBTAJSA-N 391.427 2.406 50 40 GEGB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCl)C2=O)cc1OC 3319122 KGRVGVHSYXTHOG-MDWZMJQESA-N 384.841 2.095 50 40 GEGB O=C(COc1ccc(Br)cc1)NNC(=O)CN1CCCCCCC1 7060896 LBTJNURZORQBDZ-UHFFFAOYSA-N 398.301 2.241 50 40 GEGB C[C@H]1CN(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cn2)C[C@@H](C)O1 47526094 NPZHYOWNJBJZTI-BETUJISGSA-N 388.855 2.423 50 40 GEGB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 138799168 VQHOAPDSJJHOMG-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-] 409065623 IFIAQOLHOVRYRR-BKUYFWCQSA-N 398.419 2.269 50 40 GEGB COc1ccc2[nH]c(=O)c(/C=N/NC(=O)CN3Cc4ccccc4C3)cc2c1 6606641 HTKQSHXDHAVVBI-LSHDLFTRSA-N 376.416 2.003 50 40 GEGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 57993691 TWEZRZXSPCJRNC-UHFFFAOYSA-N 375.356 2.499 50 40 GEGB CC1=CC(=O)[C@@H](Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 104052249 MDZPVUVVDJNNRT-ZFHNCLSMSA-N 377.205 2.468 50 40 GEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2 1757841 QMWJPAAVKKHAHH-LSFURLLWSA-N 378.388 2.085 50 40 GEGB Cc1csc(=O)n1CCCC(=O)NNC(=O)c1ccc(Br)cc1 12994512 AFZOIMIGYCNYSC-UHFFFAOYSA-N 398.282 2.222 50 40 GEGB CCCn1nc(C(=O)NNC(=O)c2cc3ccccn3c2)c2ccccc2c1=O 72284155 FPSXHOYRDGLZSC-UHFFFAOYSA-N 389.415 2.134 50 40 GEGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408706514 AMOBEDDXTVLKJO-AWQFTUOYSA-N 393.241 2.240 50 40 GEGB O=C(Cc1cccs1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109295 KHLSIZAZHBKJEF-UHFFFAOYSA-N 385.420 2.101 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 7882321 INOJEYMYUSKZCZ-GFCCVEGCSA-N 375.787 2.293 50 40 GEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(OC)cc3)CC2=O)c1 12778966 BQVUTUAZPBURHN-MRXNPFEDSA-N 381.432 2.072 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)cc1C 409057279 JNWJOBVOKNKACC-WYMPLXKRSA-N 386.415 2.188 50 40 GEGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)NC(N)=O 409239250 CSLOXAJVHGRGQK-BHQIHCQQSA-N 389.003 2.019 50 40 GEGB O=C(NNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccc(Cl)cc1 29755916 XLOVCJYYHRRHPJ-UHFFFAOYSA-N 386.839 2.048 50 40 GEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 101642458 SCNRXRZZRHGWKR-LICLKQGHSA-N 387.308 2.494 50 40 GEGB CCn1c(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)nc2ccccc2c1=O 14367781 NDPYOCZAMUPHJT-SJKOYZFVSA-N 380.404 2.088 50 40 GEGB O=C(Cn1cnc2ccccc2c1=O)NN=Cc1ccc(Br)cc1 13108406 XLOGGVNHYDPESS-UHFFFAOYSA-N 385.221 2.309 50 40 GEGB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1ccccc1 408685108 OQUQIPSVWHSJSB-RNRMVRRSSA-N 393.233 2.372 50 40 GEGB COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)cc2OC)cc1 409232284 PVZCYRXOWTZFCY-HMAPJEAMSA-N 399.447 2.070 50 40 GEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-n2cnnn2)c1 5494666 KBTBZQGBTZFAGW-VXLYETTFSA-N 385.771 2.378 50 40 GEGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Cc1cccc(C(F)(F)F)c1 6948209 GUZKMYSKKFPKED-UHFFFAOYSA-N 397.309 2.383 50 40 GEGB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=O)c1ccccc1 7985023 PVDVYFAOSTVEOH-INIZCTEOSA-N 375.375 2.180 50 40 GEGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccccc1F 9477191 ANBYXAFCFJPORT-SSZFMOIBSA-N 396.422 2.343 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 15144867 JGDOUPRVGBPKBC-DJKKODMXSA-N 376.210 2.077 50 40 GEGB COc1ccc(OC)c(/C=N\NC(=O)N/N=C\c2cc(OC)ccc2OC)c1 31723503 FHPVENDOKRWPGG-ACXSEBCSSA-N 386.408 2.388 50 40 GEGB COC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)cc1 58872744 VIUOWUTVGZIYPW-SRZZPIQSSA-N 380.404 2.267 50 40 GEGB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)c1ccc2c(c1)OCO2 7957577 DOFYWMLTQFDIHR-QGZVFWFLSA-N 393.399 2.141 50 40 GEGB O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58884978 SHBKEPUWCMPYEO-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB O=C(CNC(=O)c1ccccc1)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 6060762 QXIWATWVRDWXJL-UHFFFAOYSA-N 391.214 2.196 50 40 GEGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccco3)c2c1 4680102 CCFLMBMPSADRBD-UHFFFAOYSA-N 396.447 2.164 50 40 GEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c1 408774185 AVHKMBONCBIQFM-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cc1 12885525 LSGNLFDYAVKCSP-UHFFFAOYSA-N 376.434 2.306 50 40 GEGB C/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccncc1 5187019 OXLCYUMRVPNYMQ-AWQFTUOYSA-N 379.189 2.462 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1OC 5100927 ZBHNLXLWUARKES-HYLGSWLWSA-N 385.395 2.346 50 40 GEGB CC1=CC(=O)[C@H](Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 104052242 MDZPVUVVDJNNRT-XUMKSBJFSA-N 377.205 2.468 50 40 GEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccn(-c2cccc(Cl)c2)n1 57401919 VYZSRGPRDDTAJW-KRWDZBQOSA-N 398.806 2.127 50 40 GEGB CC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2F)cc1 10124958 QCSQSJXBQOAHCK-UHFFFAOYSA-N 389.402 2.453 50 40 GEGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12998423 ILUFGXMITRQHCB-BZNIZROVSA-N 376.796 2.095 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409247283 MBAVKUULWFZQHA-KUARTLJMSA-N 386.404 2.249 50 40 GEGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1 409025565 SJOKOPPUUUGQMT-XSFVSMFZSA-N 389.477 2.261 50 40 GEGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 409003843 VMHOMVLSIZCIKE-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C(=O)OC)cc1 408608976 XYPFNLUEVAOTOU-OAHLLOKOSA-N 398.444 2.421 50 40 GEGB COC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1 953033979 MIISAVSORZZJIN-XLIONFOSSA-N 383.564 2.467 50 40 GEGB COc1cc(C(=O)NNC(=O)CCOc2cccc(C)c2)cc(OC)c1OC 2662978 ALBIQLRYKORVFQ-UHFFFAOYSA-N 388.420 2.251 50 40 GEGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)NC(C)=O)cc2)o1 5709109 OOBGXPGKADJRPY-UVTDQMKNSA-N 388.401 2.241 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 7428709 NATRCDWHHPARHQ-UHFFFAOYSA-N 389.216 2.345 50 40 GEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 33736582 OBICAADULXRISJ-DHDCSXOGSA-N 380.356 2.482 50 40 GEGB O=C(CNC1CCCCC1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409383068 RARMOMVQTQPWKI-QGMBQPNBSA-N 399.245 2.435 50 40 GEGB CCOc1cc(NC(C)=O)ccc1C(=O)NN[C@@H](C#N)c1ccccc1[N+](=O)[O-] 1094251 NKRVKBLWQGFHST-INIZCTEOSA-N 397.391 2.451 50 40 GEGB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NNC(=O)c1ccccc1 3358187 CRHGWFARTRPZGH-UHFFFAOYSA-N 392.411 2.468 50 40 GEGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1 16489208 QPJHFRYPUCJFAG-JXAWBTAJSA-N 391.427 2.470 50 40 GEGB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)NNC(=O)c1ccccc1 6558134 BHZGJBCBSHLBBM-OUKQBFOZSA-N 375.384 2.252 50 40 GEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)n1 7777569 SMQPEQRRPJLZSO-UDWIEESQSA-N 385.493 2.172 50 40 GEGB CC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 23198859 WDDYOCYOPSOJQB-GOSISDBHSA-N 398.850 2.330 50 40 GEGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5577346 KIYSOOSGCKJAFD-BIVXUNOYSA-N 388.424 2.359 50 40 GEGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 28215455 ORCOGNSNAHVPNS-RGVLZGJSSA-N 384.392 2.262 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Br)c1O 28356781 FRJCRFUIFSGOEB-JVOXIWMLSA-N 381.226 2.365 50 40 GEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409248215 COJABFRCFNHCSM-IKMPRTQCSA-N 396.447 2.069 50 40 GEGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc4c(c3)OCO4)ccc12 1246416 UCSAEJSTZQYXDO-ZVBGSRNCSA-N 380.356 2.359 50 40 GEGB CCCOc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2C)cc1 2117713 AAXWMUQDNITQEO-UHFFFAOYSA-N 378.450 2.172 50 40 GEGB COc1cc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc(Br)c1O 5526590 CQRICVOMVJEDRW-UBKPWBPPSA-N 397.181 2.044 50 40 GEGB O=C(CCc1nc2ccccc2s1)NNC(=O)[C@@H]1COc2ccccc2O1 3362415 SMACUWIRBOLYCF-HNNXBMFYSA-N 383.429 2.216 50 40 GEGB O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 7428714 AEGYMEXEXOWUKX-UHFFFAOYSA-N 388.323 2.057 50 40 GEGB CCCCNC(=O)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC 9612579 PXWDWOVRWXMRIV-UHFFFAOYSA-N 387.462 2.052 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 19955047 VVSLIKLXSHWHIW-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cc3cc(C)ccc3[nH]2)cc1 199430317 BPHZAOITHMBSRS-UHFFFAOYSA-N 386.433 2.058 50 40 GEGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)C(N)=O 408993203 VDPJOGHMETUVBW-XYOKQWHBSA-N 393.388 2.114 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 101315239 CEDSNXFWJSXLAD-CVQDRVJJSA-N 397.280 2.319 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 58885064 YKVVWNDTZZEWRY-UDWIEESQSA-N 398.375 2.257 50 40 GEGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1Cl 716923 BBHIEBMXKINTFG-ZVBGSRNCSA-N 395.810 2.472 50 40 GEGB O=C(N/N=C\c1ccccc1O)C1CCN(C(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC1 104213930 OJZSHKAQRAXTEN-KEKXCKNNSA-N 398.532 2.393 50 40 GEGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1 6984777 UWRQTCWFMMLMMU-CXAGYDPISA-N 387.411 2.008 50 40 GEGB C[C@H](Oc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1)C(=O)O 408850426 NMIZJKXRMNUWMZ-HKMXWPIPSA-N 385.420 2.134 50 40 GEGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NCCOC)c2ccccc21 5015245 DLTSCEHKGGKLLT-FOWTUZBSSA-N 382.464 2.179 50 40 GEGB O=C(/C=C/c1ccco1)NNC(=O)c1ccccc1I 955299 GJLKOUPLZNCXRY-BQYQJAHWSA-N 382.157 2.359 50 40 GEGB COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5744896 UTIYRFYFOXNLNX-UHFFFAOYSA-N 385.464 2.306 50 40 GEGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NCc1ccco1 6242965 WGDVRGVJAUVDQO-UVTDQMKNSA-N 397.412 2.410 50 40 GEGB O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1cccs1 6561560 UJKKPDPYRWTZHZ-UHFFFAOYSA-N 378.410 2.491 50 40 GEGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OC 8168763 LUXWMYXJSWBKKT-HYLGSWLWSA-N 385.395 2.346 50 40 GEGB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccc(N(C)C)c1 12555167 WLDTVZVVQIVIBV-SFHVURJKSA-N 388.512 2.235 50 40 GEGB COc1cc(/C=N/NC(=O)CCN2CCN(Cc3ccccc3)CC2)ccc1O 95532769 DGWFJMCPYMJHJI-XQNSMLJCSA-N 396.491 2.059 50 40 GEGB COCc1cc(C)n(CC(=O)N/N=C/c2ccccc2OC(C)C)c(=O)c1C#N 408602440 NVAPGUKAQGVDEQ-FOKLQQMPSA-N 396.447 2.112 50 40 GEGB COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 6441110 GKJGOUIFAHQNJJ-AWEZNQCLSA-N 391.518 2.243 50 40 GEGB C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 6544510 ILAWZJNWIDXQOA-XSFVSMFZSA-N 387.461 2.022 50 40 GEGB COc1cc(C(=O)NNS(=O)(=O)c2ccc(C)s2)ccc1OC(C)C 12799856 RGGBLGLPPFZYPS-UHFFFAOYSA-N 384.479 2.476 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccccc1)S(C)(=O)=O 408778400 FPEDVOKDMYYHGD-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB CCN1C(=O)/C(=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 8781119 MUMLYGMIKIRRQH-SDXDJHTJSA-N 383.320 2.004 50 40 GEGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3026777 JUXQHCLQKBMBLB-REZTVBANSA-N 394.727 2.391 50 40 GEGB CC1=CC(=O)[C@@H](Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 103667667 MDZPVUVVDJNNRT-KBUSKATCSA-N 377.205 2.468 50 40 GEGB O=C(NNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccco1 36398226 VWCIZFBGJZGNPH-UHFFFAOYSA-N 379.351 2.470 50 40 GEGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2C)c1 12885660 FDGIPVDKDTWRAJ-UHFFFAOYSA-N 378.388 2.293 50 40 GEGB CCCCC(=O)NN/C=C1\C(=O)N(c2ccc(OCC)cc2)C(=S)N=C1O 38160486 AOGOIMJZNUFPTE-KAMYIIQDSA-N 390.465 2.368 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409012004 IJENXPOLEJRHMI-MUBJSKCLSA-N 386.404 2.249 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccc(Br)cc3)ccc21 409089111 LVVFXJJXKYGFCC-VXLYETTFSA-N 387.237 2.403 50 40 GEGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NC(C)C 408708579 QRNJXAWTBUMGEU-SRZZPIQSSA-N 382.420 2.412 50 40 GEGB NC(=O)COc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1 408965614 WIWHMNHEYSOAEK-OCKHKDLRSA-N 391.225 2.469 50 40 GEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(C)c2)cc1C 33647360 JOARBPDBVVJSRZ-NDENLUEZSA-N 389.477 2.083 50 40 GEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(Cl)c(Cl)c1 828653 ARRDCJSQFKZKSQ-NGYBGAFCSA-N 395.210 2.002 50 40 GEGB COc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 1421501 XOKAAMDJEAIXNW-XLTHYULKSA-N 382.376 2.107 50 40 GEGB COc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 4649891 OBOYJEBHEOGXRX-MJGOQNOKSA-N 375.432 2.059 50 40 GEGB COC(=O)c1ccc([C@H]2[C@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 143643439 KBLRNVGKQOQYOE-XCLNPWKQSA-N 399.454 2.359 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19953935 PIVAWGBRSAHKEY-CPNJWEJPSA-N 375.450 2.002 50 40 GEGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)CN2CCOCC2)c1C 59246458 SKIWUEXWRHBILL-MTJSOVHGSA-N 399.451 2.093 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2C(=O)O)c(C)c1 1895006 FZXWGDUCYBILSO-UHFFFAOYSA-N 383.404 2.182 50 40 GEGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 4086417 DQXZGLRLZHXWHQ-AUEPDCJTSA-N 379.338 2.351 50 40 GEGB O=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCc1ccc(F)cc1 4676308 FTGIMZWVCUGNBC-UHFFFAOYSA-N 396.422 2.024 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)CCc2ccccc2)c(OC)c1 4833432 KBXOOHSQBVKUFM-HZHRSRAPSA-N 383.448 2.293 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)/C=C\c2ccccc2)c(OC)c1 4844289 FSCSXJPUJOPOGC-MBKCXNSNSA-N 381.432 2.374 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Br)c1O 28356788 FRJCRFUIFSGOEB-JXDHDYMSSA-N 381.226 2.365 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 4508629 YMWNJJZLZYPBKS-UHFFFAOYSA-N 384.392 2.392 50 40 GEGB Cc1cc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c(C)o1 6509705 JXABXYUXDDRZLD-AWEZNQCLSA-N 378.816 2.111 50 40 GEGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)n1 408984063 LUTMEWKGVYMYEU-VXLYETTFSA-N 379.380 2.015 50 40 GEGB O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 7428713 PSTUOTDQJGBSKT-UHFFFAOYSA-N 388.323 2.057 50 40 GEGB O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(Br)cc1 3393159 QCXADTQVCOTAKM-UHFFFAOYSA-N 395.184 2.206 50 40 GEGB Cc1ccc(-n2ncc3c(SCC(=O)NNC(=O)C(C)C)ncnc32)cc1 4230918 KCMNCDSXZJDULH-UHFFFAOYSA-N 384.465 2.019 50 40 GEGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc(F)c2)c(C)c1 6607351 QGQXUTDWRVKTNC-KEBDBYFISA-N 377.441 2.180 50 40 GEGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)NC1CCCCC1 13942816 AQVYAOVXJACVKI-NBVRZTHBSA-N 397.475 2.280 50 40 GEGB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCCC1 71805627 JETDSEDWUPTQRK-OAHLLOKOSA-N 393.871 2.291 50 40 GEGB C#CCOc1c(/C=C(\C#N)C(=O)NCCOC)cc(Br)cc1OC 408820522 YGPVPXKRMPORLI-MDWZMJQESA-N 393.237 2.139 50 40 GEGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 9108877 SBANKHDRVOBQND-WYMLVPIESA-N 388.493 2.218 50 40 GEGB Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(C#N)cc1)C2 10400448 RLKKDINCVCDHIO-SCLBCKFNSA-N 381.457 2.498 50 40 GEGB COc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 16806565 XIJRUOHFMXNEMO-HVVQPJKBSA-N 382.416 2.475 50 40 GEGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccccc1Cl 30734504 BBHIEBMXKINTFG-NKVSQWTQSA-N 395.810 2.472 50 40 GEGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914445 GTGSMQNXRWNVFU-WHJAWBAWSA-N 375.812 2.345 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 408909668 HQPVOTROLVNBBC-SDLXJUDFSA-N 397.431 2.281 50 40 GEGB O=S(=O)(C(Cl)Cl)C(Cl)(Cl)S(=O)(=O)C(Cl)Cl 104162235 FREFVXQIMYLVDY-UHFFFAOYSA-N 378.897 2.427 50 40 GEGB O=C(N/N=C/c1ccncc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408884506 UIJJLNZPCGCTQI-DDLUMYACSA-N 392.868 2.038 50 40 GEGB N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)N1CCN(c2ccccc2)CC1 33686640 YCLHIFPZJHDECS-VLGSPTGOSA-N 392.459 2.372 50 40 GEGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccccc1 8219290 PYLRSZISBKTPGE-LPYMAVHISA-N 381.432 2.393 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(C)C(=O)OCc2ccccc2)cc1OC 4905703 XTYNOHXOCDDKNZ-CIAFOILYSA-N 385.420 2.423 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)Cc1ccccc1 6453866 DUWDMGHXWMIKBP-YBFXNURJSA-N 379.869 2.252 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1Cl 59444430 JBTNZPPQZJRUKI-DJKKODMXSA-N 375.768 2.136 50 40 GEGB COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1OC 3235753 AOXIUANBTVYMSY-DNTJNYDQSA-N 386.330 2.078 50 40 GEGB CCN(CC)[C@H](C)C(=O)NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1 2274536 NJHICUVZSQSTLK-GOSISDBHSA-N 397.519 2.417 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccc(F)cc2)nn(-c2ccccc2)c(=O)c1C#N 409062120 OBAFQTHVLHKXHA-FMCGGJTJSA-N 375.363 2.316 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Cl)c1OCC(=O)O 4545768 XZJITVIKAGJJSU-UFWORHAWSA-N 378.768 2.282 50 40 GEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1O 806040 QNKHTHGRYNUFBF-YBFXNURJSA-N 381.417 2.189 50 40 GEGB O=C(NNC(=S)NC[C@H]1CCCO1)c1cccc(OC(F)(F)C(F)F)c1 2792502 QGPMLCLPLLHTBE-LLVKDONJSA-N 395.378 2.211 50 40 GEGB COc1ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 31670101 FCLFZMTZAVGGJN-OQRYGUKSSA-N 396.447 2.475 50 40 GEGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OC 408789616 NBJBJSKVNSHCRZ-HYARGMPZSA-N 383.448 2.300 50 40 GEGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 6477577 MUUICGCUWYXHQR-HOTGVXAUSA-N 385.489 2.362 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 58911707 XESRLNTTXAZMTP-YDZHTSKRSA-N 384.480 2.314 50 40 GEGB O=C(N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1)c1ccccc1O 409192304 AQLRORCOCONCQB-QGMBQPNBSA-N 384.377 2.334 50 40 GEGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1 16136797 QWZWCZPBVWWZJG-ZMOGYAJESA-N 395.419 2.104 50 40 GEGB CC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2Cl)CC1 57332435 LNWRGOZGHKSSMK-LBPRGKRZSA-N 384.263 2.127 50 40 GEGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 3663521 KLZUBYMPZUJEOQ-DJKKODMXSA-N 394.420 2.033 50 40 GEGB Cc1cc(I)cc(/C=N/NC(=O)c2ccncc2)c1O 4721731 DDMHLKLZJSNNKW-CAOOACKPSA-N 381.173 2.464 50 40 GEGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)c1 408968970 DUKOJDCURKZGRZ-AOOMUMSASA-N 382.464 2.148 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 408614665 GBHGCIYNEUSTKF-INIZCTEOSA-N 381.432 2.126 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(Br)cc1 809276 XQYLCEHOUMUPTH-VCHYOVAHSA-N 385.225 2.253 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C 58913999 HSIPPXUACBKLPR-QRVIBDJDSA-N 384.480 2.314 50 40 GEGB COc1ccc2oc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(C)c2c1 3435789 BYSGFSCMCURNMI-KRWDZBQOSA-N 382.372 2.351 50 40 GEGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc(C)cc1 7519616 IMHBOLGWIJKGRO-UHFFFAOYSA-N 399.266 2.389 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 408614417 BZQGRYHNTSTOLS-MRXNPFEDSA-N 381.432 2.208 50 40 GEGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1O 20086083 ONVPQXQIIWZPKT-KRWDZBQOSA-N 375.384 2.471 50 40 GEGB N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 5023466 MVGLKLRBCUWXAQ-FYWRMAATSA-N 398.426 2.472 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 8728759 JRDORIZIBFHVAY-QGZVFWFLSA-N 375.469 2.177 50 40 GEGB O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 102787680 HMVMZPDTROLCED-GFCCVEGCSA-N 398.810 2.281 50 40 GEGB CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12 4517250 LQKWOPLUJGAHIC-JOCHJYFZSA-N 387.395 2.158 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)c1cncn1-c1ccccc1 32754931 OCZRFCKKZKAFQY-UHFFFAOYSA-N 394.815 2.288 50 40 GEGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccc(F)cc12 4476280 RRQSLQRQSRVCID-HXUWFJFHSA-N 375.315 2.257 50 40 GEGB O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)Cc1c[nH]c2ccccc12 9514438 CCDWIWYLNLRQPG-UHFFFAOYSA-N 397.456 2.421 50 40 GEGB O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1CCCO1 71822693 MJLPRKSKDHTLII-CQSZACIVSA-N 386.370 2.080 50 40 GEGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1O 2329012 SPKNSMJXYCNDAA-REZTVBANSA-N 397.172 2.164 50 40 GEGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 6292573 ZUXSYGHEIPKRQZ-YFHOEESVSA-N 383.264 2.383 50 40 GEGB Cc1ccc(Cn2c(=O)c3c(nc4n(CCCl)c(C)cn34)n(C)c2=O)cc1 10104393 KTKRFTUDBMPXSY-UHFFFAOYSA-N 385.855 2.053 50 40 GEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)c1C 11655432 VBLSTWBLUISKFF-INIZCTEOSA-N 393.447 2.172 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 103123039 GXQCPYKOKXCMJA-JXAWBTAJSA-N 377.400 2.445 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(N)=O 658633 YICWNUFDWDPBSU-GOSISDBHSA-N 397.431 2.010 50 40 GEGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc2c(c1)OCCO2 3575255 QHFQYJXGNYIJKV-HAVVHWLPSA-N 394.475 2.120 50 40 GEGB O=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccco1 7781635 AYEAHXQXKUIVJF-UHFFFAOYSA-N 389.462 2.297 50 40 GEGB Cc1cccc(C(=O)NN/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408531398 NWCAHLRHTFCZDH-LFIBNONCSA-N 392.415 2.013 50 40 GEGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 8110181 FPGYZCQSOGCWJB-HJGVYBFFSA-N 397.431 2.216 50 40 GEGB CCCCCCCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 8435258 ZYDQZCMCXLFNOU-LLVKDONJSA-N 388.921 2.086 50 40 GEGB CN(C)N(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 8939265 DOKZEVSZTJGVII-FUEXJSSKSA-N 377.293 2.499 50 40 GEGB CCn1c(NNC(=O)c2cnc3c(cnn3C(C)C)c2)nc2ccccc2c1=O 11165681 LOCRETFCXZCKBV-UHFFFAOYSA-N 391.435 2.499 50 40 GEGB CCOc1ccc(NS(=O)(=O)CCCCCl)cc1S(=O)(=O)N(C)C 97165061 DEZKYFXGXHSGNT-UHFFFAOYSA-N 398.934 2.096 50 40 GEGB O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]12)N(C(=O)c1ccccc1)[C@@H]3C#Cc1ccccc1 104395317 IBAKJKSWHOXCJI-PFAUGDHASA-N 383.403 2.433 50 40 GEGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(F)cc1 408679985 FSWKQEIMGMOHSF-DKJTXKKOSA-N 397.196 2.123 50 40 GEGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/C=C/c1ccccc1 408721392 QJZZYBNYJBSIDZ-OGMQXUJQSA-N 387.403 2.484 50 40 GEGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409233748 WPLGPXPDDZDWFS-UUYOSTAYSA-N 388.395 2.469 50 40 GEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3)CC2)c1 409005428 IOGXOYFYTULQNL-HYARGMPZSA-N 381.432 2.403 50 40 GEGB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1 408644847 ILHKQLPQVOOMJI-UHFFFAOYSA-N 397.431 2.108 50 40 GEGB CCOc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OCC 1684452 VBRVTBWKICNWBW-JFMUQQRKSA-N 382.420 2.084 50 40 GEGB CC(C)n1nc(C(=O)NNC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2c1=O 28580837 DHXIMBSNTMJYPI-INIZCTEOSA-N 397.262 2.322 50 40 GEGB CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408527228 FNJNGNNBLGMCDQ-AWEZNQCLSA-N 383.290 2.301 50 40 GEGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(=O)[nH]c1 16044650 YUYPDRMNJYSIFG-UHFFFAOYSA-N 399.410 2.302 50 40 GEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)O)c(Cl)c1 408852451 KZIQPIBRHVSXMX-UKWGHVSLSA-N 392.795 2.341 50 40 GEGB O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1 3057543 PGBMIJJPSODBFF-QGMBQPNBSA-N 390.193 2.267 50 40 GEGB O=C(N/N=C\c1ccc(I)o1)[C@@H]1COc2ccccc2O1 12360079 OAPWKVRPPFXPFI-VQZCYCSMSA-N 398.156 2.174 50 40 GEGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)c4ccsc4)[C@H]23)cc1 100224017 WLPRYIDFGAYGMT-HNNIGCNVSA-N 399.428 2.017 50 40 GEGB C#CCN1CCC(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)CC1 48302680 DDYQKPGXFKHXHF-UHFFFAOYSA-N 382.489 2.225 50 40 GEGB Cn1nc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c2ccccc2c1=O 12852805 KFOONHXGTJBSFO-UHFFFAOYSA-N 386.411 2.090 50 40 GEGB O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1cncn1-c1ccccc1 8746620 ZADZANUBOZBTCQ-IBGZPJMESA-N 375.432 2.127 50 40 GEGB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1O 29769458 WTNXUXGHBZSMGC-UHFFFAOYSA-N 389.411 2.250 50 40 GEGB CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)([C@H](O)C3)C4(C)C)CC[C@]1(C)[C@@H](O)C2 100867590 KTHKFBXSXFSTAX-ASVSVBLSSA-N 392.540 2.288 50 40 GEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408603286 GEBRXHKRFKNULR-FSJBWODESA-N 385.395 2.166 50 40 GEGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)c1 408787030 PTGAMBZBQZRERL-XMHGGMMESA-N 375.450 2.002 50 40 GEGB CC(C)N1CCC2=C(C1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)(C#N)C(N)=C2C#N 705807 TZTFBVFWQYGYQU-QFIPXVFZSA-N 384.443 2.071 50 40 GEGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc(OC)c2c(c1)OCO2 2250947 KIUYVRKVPPQLNS-CQSZACIVSA-N 392.795 2.288 50 40 GEGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 5254609 GXQCPYKOKXCMJA-NBVRZTHBSA-N 377.400 2.445 50 40 GEGB CC(=O)Nc1ccc(/C=N\NC(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 31628818 QIDYEEXJPZBKSQ-WELBJSHPSA-N 380.408 2.271 50 40 GEGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(=O)O 408907554 BJEHBBUTUPUFPM-UFFVCSGVSA-N 386.404 2.305 50 40 GEGB C[C@]1(C(=O)NNC(=O)c2ccc(Br)cc2)C[C@H]1Br 2300680 LIGQBXSDWRSGON-SKDRFNHKSA-N 376.048 2.384 50 40 GEGB O=C(N/N=C/c1cccc(F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 3470236 PFXWJQPOWIXWDU-DEDYPNTBSA-N 375.425 2.374 50 40 GEGB C/C(=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nonc1C 6389848 HVWDXPOCIJUUTO-CIAFOILYSA-N 375.388 2.387 50 40 GEGB Cc1cc(=O)c(C(=O)NNC(=O)c2c[nH]c3ccccc23)nn1-c1ccccc1 15426579 UYCHJYFPBYLGKY-UHFFFAOYSA-N 387.399 2.097 50 40 GEGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 59435233 DRDGYJCFXPJUPS-LZYBPNLTSA-N 376.350 2.451 50 40 GEGB O=C(NNC(=O)c1ccc(Br)o1)c1ccc(Br)o1 955290 SNBXZAYLZXXWGP-UHFFFAOYSA-N 377.976 2.472 50 40 GEGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)CSc1nc2ccccc2s1 25581709 LLMLRYDOZFTTDV-RQZCQDPDSA-N 391.438 2.080 50 40 GEGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc(Cl)cc1 2132143 NXSHESYXJGRTRU-UHFFFAOYSA-N 375.812 2.285 50 40 GEGB CCOc1ccc(C(=O)N[C@@H](C(=O)NNc2nc(C)cc(C)n2)C(C)C)cc1 14511733 WCJMPKHXFUQMPY-QGZVFWFLSA-N 385.468 2.390 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccccc2O)nn(-c2ccc(F)cc2)c(=O)c1C#N 409057926 MXWARYWDYFXOEG-KSEXSDGBSA-N 391.362 2.021 50 40 GEGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccnc1 96585596 OJMMFQAUGAEHRY-KQWNVCNZSA-N 385.899 2.393 50 40 GEGB COc1ccc(C(=O)NNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 16509532 JYEFWNARRGTULA-UHFFFAOYSA-N 388.420 2.115 50 40 GEGB COc1cccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 3470202 JLELJBPAGDZYQY-XSFVSMFZSA-N 387.461 2.244 50 40 GEGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c1C 408909813 IJEPSHBJNLDKGW-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 4107670 DZGXAYZZHLHOHU-CIAFOILYSA-N 387.436 2.116 50 40 GEGB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NNC(=O)c1ccc(F)cc1 8390145 VOBOJSFKERXRSX-LLVKDONJSA-N 377.445 2.085 50 40 GEGB CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408689891 SUXNRWHFHXDPFP-LACSLYJWSA-N 378.222 2.399 50 40 GEGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)c([N+](=O)[O-])c1 36245320 KKCHMPFTZQYQNH-QGMBQPNBSA-N 388.336 2.355 50 40 GEGB O=C(NNC(=O)c1ccc2ccccc2c1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16526025 QNEJAXNGZGLDFJ-UHFFFAOYSA-N 396.315 2.437 50 40 GEGB CCOC(=O)c1cccc(NC(=O)CCNC(=O)[C@H](Br)CC)c1 8733219 HTPTWWQUQMMUCQ-CYBMUJFWSA-N 385.258 2.482 50 40 GEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58873989 VJEXZQFFZKKQBM-HYARGMPZSA-N 396.447 2.023 50 40 GEGB CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21 990237 HNTFXEBAPWCKKN-QFIPXVFZSA-N 399.362 2.058 50 40 GEGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 409369331 AYOSJWWUDSSXFY-UHFFFAOYSA-N 383.404 2.444 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)CCN2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)cc1 4139837 KFXWCDTXHOGDKU-SWQORALYSA-N 398.507 2.404 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 101304282 RZWPXYNQCQPCJG-AAGTZJIKSA-N 393.317 2.176 50 40 GEGB COc1cccc(NC(=O)C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1 210130275 STFMGTDVFIPVSQ-NVMNQCDNSA-N 376.756 2.346 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408614541 DLZLRJQHHOGGOW-AWEZNQCLSA-N 385.395 2.039 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 408776701 PTSGHYIMGWHWNS-UDWIEESQSA-N 389.477 2.228 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2 409361359 GZTIEBSFUISWLG-BKUYFWCQSA-N 395.371 2.071 50 40 GEGB COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1I 665220 ZSUHUJZXTVASKF-XYOKQWHBSA-N 398.200 2.066 50 40 GEGB CCCCNC(=O)NNC(=O)c1cc(/C=C/c2cccc([N+](=O)[O-])c2)ncn1 5722681 ZMNZOGJJPMVXLR-BQYQJAHWSA-N 384.396 2.299 50 40 GEGB O=C(CSc1ccccc1F)NNS(=O)(=O)c1ccc(F)cc1F 7386893 VWSDSUQGFJSSTD-UHFFFAOYSA-N 376.381 2.206 50 40 GEGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 33347461 BZRKMNXKEIEAGQ-BEWREHSGSA-N 388.449 2.490 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1OC 408609153 YZBRBCWDIDLINO-OAHLLOKOSA-N 386.433 2.262 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)ccc1O 408784231 PNMZTUUKOBBMEV-HYARGMPZSA-N 383.448 2.387 50 40 GEGB O=C(CI)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O 2526397 CGTIVLUYQQMXDB-ZDUSSCGKSA-N 383.185 2.387 50 40 GEGB in-vitro CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)cc1 6451299 OAQLNTIHMKAQMA-INIZCTEOSA-N 381.432 2.208 50 40 GEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 59434165 SOSGUPDNHFWTGF-CIAFOILYSA-N 399.403 2.056 50 40 GEGB CC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 23198861 WDDYOCYOPSOJQB-SFHVURJKSA-N 398.850 2.330 50 40 GEGB COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl 2252475 GJXYAJDRMREVIJ-UHFFFAOYSA-N 382.203 2.402 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 20209580 DPKULKUGMKHAQU-YBFXNURJSA-N 395.868 2.265 50 40 GEGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1C 3090506 ALUCGFSILSSQHP-QGMBQPNBSA-N 388.336 2.355 50 40 GEGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccc(Br)o2)[C@@H](C(=O)O)C1 2797513 DTIJWCVZTYRKBX-ZJUUUORDSA-N 385.214 2.250 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1 408783269 NJNRJJLRLDPOHL-HYARGMPZSA-N 383.448 2.300 50 40 GEGB COc1ccc(Br)cc1/C=C/C(=O)NNC(=O)c1ccncc1 6145846 OZICONPXQJLNFR-GORDUTHDSA-N 376.210 2.327 50 40 GEGB Cc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S 9067001 ACUWUNISZZZIEL-SDNWHVSQSA-N 380.429 2.402 50 40 GEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1cccc(O)c1 33336418 MEYYLBYLWUESTG-ODLFYWEKSA-N 381.417 2.189 50 40 GEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 7994766 KYXXZMUMWUPWTP-CIAFOILYSA-N 384.461 2.247 50 40 GEGB O=C(CCCC[C@H]1CCSS1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 61530556 SCFJBOGBFPWPLA-CABCVRRESA-N 392.612 2.032 50 40 GEGB Nc1nnc(CC(=O)N/N=C/c2ccc(OCCOc3ccccc3)cc2)s1 1836091 PGCBVAURPYTNME-FYJGNVAPSA-N 397.460 2.271 50 40 GEGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)o2)cc1 4160852 RSHNCRWBPZWWTD-UHFFFAOYSA-N 384.417 2.304 50 40 GEGB CC(=O)N[C@H](CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 9376531 RJDPOXOZWASLHV-LJQANCHMSA-N 378.432 2.125 50 40 GEGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccccc1-n1cccc1 10037707 ZMNDOPYKGRXEAU-UHFFFAOYSA-N 376.416 2.058 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 19953646 UKXKIJHNLREXFZ-DZUMZMOTSA-N 393.440 2.139 50 40 GEGB COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 47080868 PGZYZKGILFYLJS-LBPRGKRZSA-N 387.823 2.163 50 40 GEGB Cn1nc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2c1=O 6237470 QHFMKBYLXOHIKG-UHFFFAOYSA-N 390.321 2.027 50 40 GEGB O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 6509394 DGZLWQKYYDJGNF-SFHVURJKSA-N 388.395 2.224 50 40 GEGB COc1ccc(CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 7201499 CGSYHFIHIIJARE-UHFFFAOYSA-N 390.823 2.286 50 40 GEGB O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc[nH]c1=O 12565245 GDQUIXXFSMPILH-UHFFFAOYSA-N 385.383 2.060 50 40 GEGB CCc1sc(C(=O)NCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1C 12985955 PVJSKHMABDVXEY-UHFFFAOYSA-N 396.472 2.358 50 40 GEGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccs1 21326486 ROTUNZNCVPHSFY-SMDDNHRTSA-N 393.440 2.069 50 40 GEGB COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc(Br)c1O 31854415 SZZHRTUXTBISOV-BNCCVWRVSA-N 385.243 2.274 50 40 GEGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)OCCO1 58928430 ZQAOCQPHXDJQOA-HYARGMPZSA-N 397.431 2.307 50 40 GEGB COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O1 4189169 IRRFESUOZZVVCD-CYBMUJFWSA-N 397.200 2.469 50 40 GEGB COc1ccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)c(OC)c1 5432855 AGFZZVALFDIWOC-KRWDZBQOSA-N 392.419 2.127 50 40 GEGB COc1cc(C(=O)NNC(=O)c2ccccc2O)cc(OC)c1Br 12975267 ZJASDBSCZLYMGK-UHFFFAOYSA-N 395.209 2.247 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OC)c1O 408906209 IEQNTFGYLMIHLX-REIAIGDLSA-N 385.420 2.208 50 40 GEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccccn3)CC2)c1 59953192 BTLSIIQIXHOAOJ-OEAKJJBVSA-N 396.447 2.101 50 40 GEGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)C(=O)Nc1ccccc1 100922271 STBLNQYJRVGYLL-CIAFOILYSA-N 383.364 2.054 50 40 GEGB O=C(N/N=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1 33908846 PGBMIJJPSODBFF-LSCVHKIXSA-N 390.193 2.267 50 40 GEGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7165689 DHSYWUVHHZPLCJ-NTCAYCPXSA-N 383.429 2.444 50 40 GEGB COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)[C@@H](Br)C2=O 1384207 RBDPNKDLDKESPX-ZJUUUORDSA-N 382.132 2.383 50 40 GEGB Cc1ccccc1-n1ccnc1SCC(=O)NNC(=O)c1ccccc1O 12734792 CMRIGLZPENOSTJ-UHFFFAOYSA-N 382.445 2.440 50 40 GEGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 6328937 LGSSBKWDOKYMMP-UHFFFAOYSA-N 394.493 2.230 50 40 GEGB Cc1cc(C(=O)NNC(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)o1 14067873 APFXIINYGSONCQ-UHFFFAOYSA-N 375.454 2.254 50 40 GEGB COCCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 6950863 ZJRQVMFFOVYZOV-UHFFFAOYSA-N 395.488 2.442 50 40 GEGB COc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)c1 408784550 ULNCPMYFJXMQMK-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20060288 BQGPUKCXWVFXRX-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C2 10400427 RLKKDINCVCDHIO-ACJLOTCBSA-N 381.457 2.498 50 40 GEGB C[C@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3ccccc3F)cc2C1 3396553 BODQYPFVCWHZLZ-NSHDSACASA-N 389.452 2.203 50 40 GEGB CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1 2135563 LOJROZZUHICWMR-UHFFFAOYSA-N 390.490 2.436 50 40 GEGB COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 6456209 NUWXBLDNFUUIJH-RGVLZGJSSA-N 389.477 2.049 50 40 GEGB CCc1ccc(CCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 8304836 HPQBYQITGAQXHM-UHFFFAOYSA-N 392.459 2.373 50 40 GEGB CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 24396441 AWFXUMYGSGRKPZ-UHFFFAOYSA-N 380.853 2.137 50 40 GEGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 252496899 PULIKGAAQBDJNR-GTQIFZCBSA-N 375.423 2.369 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 408614416 BZQGRYHNTSTOLS-INIZCTEOSA-N 381.432 2.208 50 40 GEGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 4892413 POZOBVRYCNJRLI-FSJBWODESA-N 381.432 2.479 50 40 GEGB O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccc(O)cc1 6943235 GJAUGAJLZDJAIU-FSJBWODESA-N 377.400 2.191 50 40 GEGB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1ccccc1 408685104 OQUQIPSVWHSJSB-NWKOGBETSA-N 393.233 2.372 50 40 GEGB CCc1c(C(=O)NNC(=O)c2c(C)nc3ccccn23)cnn1-c1ccccc1 32423438 BUQOLALKDWNORE-UHFFFAOYSA-N 388.431 2.466 50 40 GEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2=O)c1 12523439 XMFDZYXSKRUONM-QGZVFWFLSA-N 394.475 2.129 50 40 GEGB O=C(CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccco1 4700570 BYFNKNBKZFCLPA-UHFFFAOYSA-N 383.326 2.156 50 40 GEGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC#N 45295950 YHIFYKHTOSVQSY-KEBDBYFISA-N 385.449 2.247 50 40 GEGB COc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 47080867 PGZYZKGILFYLJS-GFCCVEGCSA-N 387.823 2.163 50 40 GEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccccc1O 2675697 AHZPXGAXUBZKJV-DJKKODMXSA-N 376.210 2.035 50 40 GEGB O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1ccc(Br)cc1 706947 XLOGGVNHYDPESS-AWQFTUOYSA-N 385.221 2.309 50 40 GEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc(Br)cc1 16693798 BQRLFXLXXVFQCY-JYRVWZFOSA-N 389.209 2.293 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 20210601 WAZVGMIIAXNGGW-GZTJUZNOSA-N 381.479 2.063 50 40 GEGB COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OCc1ccc(C)cc1 408734948 HQCFNQSMJLSOHB-UFFVCSGVSA-N 381.392 2.312 50 40 GEGB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 2624193 XXWJIMDQEOHZFZ-UHFFFAOYSA-N 380.322 2.252 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1C 6278279 INHXCGVEXPROFI-JKSUJKDBSA-N 389.452 2.061 50 40 GEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1O 211617934 VLFRPTZSRZAYIZ-WMZJFQQLSA-N 386.189 2.437 50 40 GEGB Cc1ccccc1-n1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C 46181085 ALAXGHADXSUQIT-UHFFFAOYSA-N 392.415 2.335 50 40 GEGB COc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19938697 OMSLUSPVMAPCMN-APWZRJJASA-N 375.432 2.059 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 32755164 YQOKGRDDZJZILT-CQSZACIVSA-N 387.461 2.070 50 40 GEGB O=C(N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc(F)cc1 100636737 JWJRAISBKPQENH-HIXSDJFHSA-N 378.451 2.111 50 40 GEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/C=C/c1ccccc1 100958926 XIMUPUZPZXTEPU-BEGJWDHYSA-N 382.441 2.022 50 40 GEGB COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] 3452588 UODAGXDVEIFAJW-UHFFFAOYSA-N 393.783 2.405 50 40 GEGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)n2c1 3173223 BGKHSJYXVQTDHQ-UFWORHAWSA-N 385.767 2.328 50 40 GEGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 13892633 SWSUBTAURXBGOZ-UVTDQMKNSA-N 383.360 2.453 50 40 GEGB Cc1ccc(C(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408756818 UGHIIBKZPGPMCQ-NBZOHKLQSA-N 394.456 2.083 50 40 GEGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 409197778 OSDAJJWUDIHJJJ-OBHPCNEJSA-N 381.432 2.407 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 6312104 ZXBAQSLQAXEDMU-XDHOZWIPSA-N 382.332 2.208 50 40 GEGB COc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)ccc1OC(C)C 7387843 YYVLAGXHADOZTD-UHFFFAOYSA-N 382.413 2.245 50 40 GEGB COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC 1633088 UVDDRVGAYVQLGT-HZPDHXFCSA-N 375.812 2.122 50 40 GEGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 24539337 XYJMCROUANOWII-HYARGMPZSA-N 381.432 2.208 50 40 GEGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 27313838 RNHLQGMOEGWESJ-SWLSCSKDSA-N 394.541 2.353 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408924640 KZNPMMHEFHXPJP-NPQOUYBPSA-N 389.477 2.390 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc4c(c3)OCO4)CC2=O)cc1 409158855 PHKLXKXRNMXACK-OLIBUNOHSA-N 379.416 2.481 50 40 GEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 15225714 YQZQYGXNRMCBRJ-AFUMVMLFSA-N 388.427 2.427 50 40 GEGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 16385944 HQVXZPJTBYKDBM-UBKPWBPPSA-N 376.716 2.237 50 40 GEGB Cc1cc(=O)n(NC(=O)Nc2ccccc2)c(NNC(=O)Nc2ccccc2)n1 1407744 KPYCLONAIGBPAG-UHFFFAOYSA-N 393.407 2.476 50 40 GEGB Cc1cc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2)ccc1Cl 6610772 GZJVRDVKKDYTMC-UHFFFAOYSA-N 376.796 2.032 50 40 GEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408804349 XUMWLULLPKMMQL-HAAVITCDSA-N 380.242 2.135 50 40 GEGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1 408853692 QRGBGIRYWCHKSB-UCQKPKSFSA-N 390.443 2.264 50 40 GEGB NC(N)=Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C[n+]2ccccc2)cc1 6567686 JNOSNOPXWJLCRI-UHFFFAOYSA-O 392.395 2.055 50 40 GEGB CC(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)N1CCCCC1=O 79068868 XNZBMYFEGZDQCZ-GOEBONIOSA-N 393.459 2.168 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 101303171 PGXUHOMQFORHLZ-AAGTZJIKSA-N 393.317 2.176 50 40 GEGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)C(=O)NCc1ccco1 102690022 LCONMDKTLMQXGP-BENRWUELSA-N 385.376 2.219 50 40 GEGB COC(=O)c1ccc([C@@H]2[C@@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 103685924 KBLRNVGKQOQYOE-HUYLIWGRSA-N 399.454 2.359 50 40 GEGB CCN(CC)C(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408844439 IYSYSLOTNDXJMZ-GHRIWEEISA-N 394.475 2.275 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc4c(c3)OCO4)CC2=O)cc1 409158859 PHKLXKXRNMXACK-VBHHZLGVSA-N 379.416 2.481 50 40 GEGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1ccnc2cc(Cl)ccc12 12543249 QPSLKHXQDAXISL-UHFFFAOYSA-N 398.806 2.490 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5697880 XMTLZMQPAXCEKF-UBHSHLNASA-N 382.844 2.454 50 40 GEGB CO/N=C(/C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1csc(NC(C)=O)c1 12364328 HPHKNXBJXQGBIT-OLIUKDQVSA-N 389.393 2.116 50 40 GEGB COc1ccc2c(c1)/C(=N\NC(=O)c1cc(Br)ccc1O)C(=O)N2 6007277 NMYWWVYRHFAXHI-UHFFFAOYSA-N 390.193 2.250 50 40 GEGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)NC[C@H]1CCCO1 8336449 CZCCVCOEWZUCOX-CQSZACIVSA-N 385.917 2.482 50 40 GEGB CCCCCCCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 8435259 ZYDQZCMCXLFNOU-NSHDSACASA-N 388.921 2.086 50 40 GEGB COc1ccc(C(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 28617745 ZSJJCPOJZOTXDK-MOSHPQCFSA-N 384.392 2.204 50 40 GEGB COCCNC(=O)/C(C#N)=C/c1nc(N(C)C)n(-c2ccc(F)cc2)c1Cl 2657833 DLLVMSDXAFVCAA-ZRDIBKRKSA-N 391.834 2.400 50 40 GEGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)NC[C@@H]1CCCO1 58883080 OCRUMOLZASPWHV-BTMMFNIDSA-N 399.422 2.264 50 40 GEGB O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccc(Cl)cc1Cl 5646918 SACNIEHRNXWDKX-UHFFFAOYSA-N 391.214 2.234 50 40 GEGB Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1[N+](=O)[O-] 101523451 NOGGKUKOQSFSLZ-OEXQXWKBSA-N 395.209 2.413 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 2135278 YYGHRVOZKHOGLY-NWDGAFQWSA-N 395.843 2.097 50 40 GEGB CC(C)(C)OC(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1 12979348 QQEIQPCINPQWAV-UHFFFAOYSA-N 385.420 2.492 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C)c1 6271634 ASDLHMFHTFFBIH-LSDHHAIUSA-N 389.452 2.061 50 40 GEGB COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O[C@H](C)C(=O)O 409231610 DBSSTBBUFOARPI-VURRPDKYSA-N 387.348 2.219 50 40 GEGB O=C1N=C([n+]2ccc3ccccc3c2)/C(=C\NNC(=O)c2ccncc2)S1 38191563 VGAYLUPOYYKOKX-UHFFFAOYSA-O 376.421 2.412 50 40 GEGB N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@H]1c1ccc(OCC(N)=O)cc1 5491460 DWLORICTOJOWDP-KRWDZBQOSA-N 387.399 2.159 50 40 GEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Br)c1 4611340 SLNXIVZIFXLNDO-MFOYZWKCSA-N 391.181 2.446 50 40 GEGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccc(Cl)cc1 4744616 QBHKRVZTORGUEN-UHFFFAOYSA-N 387.852 2.068 50 40 GEGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1 6173583 YBPIUQBASXAGPA-UHFFFAOYSA-N 382.395 2.468 50 40 GEGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 6477585 MUUICGCUWYXHQR-CVEARBPZSA-N 385.489 2.362 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1C 6779950 INHXCGVEXPROFI-CVEARBPZSA-N 389.452 2.061 50 40 GEGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1 6984765 UWRQTCWFMMLMMU-GUYCJALGSA-N 387.411 2.008 50 40 GEGB CCc1ccc(OCC(=O)NNC(=O)CCc2cc(OC)cc(OC)c2)cc1 7958877 OCAZHKACBDAVGF-UHFFFAOYSA-N 386.448 2.425 50 40 GEGB CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)cc1 8555295 BMBSZQIMBGYAFP-UHFFFAOYSA-N 390.852 2.248 50 40 GEGB O=C(CSc1cccc2cccnc12)NNS(=O)(=O)c1ccccc1F 9384435 PTLFXNVBDHGGAR-UHFFFAOYSA-N 391.449 2.476 50 40 GEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)c1 409062232 QIDPYFUWGPWAEI-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3nnc(N)s3)o2)cc1 1781093 NUWGCWCYSCHDPZ-KEBDBYFISA-N 399.432 2.250 50 40 GEGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc(-c2ccccc2)n[nH]1 12604017 CEWZNZQCUTXPMR-UHFFFAOYSA-N 376.825 2.353 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccn3)CC2)cc1OC 409007490 WULLFWPXUCAZLB-OEAKJJBVSA-N 396.447 2.101 50 40 GEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3O)CC2)c1 409007643 YOOTWCSSAROXEN-HYARGMPZSA-N 381.432 2.403 50 40 GEGB CCCOc1cccc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1 40142829 JXSNXODDTPFNPP-UHFFFAOYSA-N 394.431 2.280 50 40 GEGB COc1ccc(C=NNC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1OC 12082257 AYLLNZNSPUSYJP-CYBMUJFWSA-N 380.404 2.125 50 40 GEGB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 24841589 KLLGRWLGAAQNDS-UHFFFAOYSA-N 394.406 2.201 50 40 GEGB Cc1ccsc1/C=N\NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 408975933 NSYOGAFPUXMAHC-UWVJOHFNSA-N 381.421 2.189 50 40 GEGB CC(=O)NS(=O)(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3n2C)cc1 6150534 TZLKCPLMPGKOBG-WYMLVPIESA-N 395.444 2.375 50 40 GEGB COc1cc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc(OC)c1OC 20238257 BNDQPFIYQMMDKJ-GFCCVEGCSA-N 375.450 2.357 50 40 GEGB COc1ccc2c(CC(=O)NNC(=O)Cc3nc4ccccc4n3C)coc2c1 9865348 VZPAVHLESPGZMV-UHFFFAOYSA-N 392.415 2.261 50 40 GEGB O=C(NNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 40140415 YJVKCAYSQYKLQA-HOTGVXAUSA-N 389.795 2.345 50 40 GEGB CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1 585138365 JXIAVOVJHCZSFN-QHCPKHFHSA-N 395.934 2.162 50 40 GEGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccccc1 5514056 GCSYBQZNIOYOSJ-RGVLZGJSSA-N 390.237 2.224 50 40 GEGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OC 8168758 LUXWMYXJSWBKKT-DACUGSJHSA-N 385.395 2.346 50 40 GEGB C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1 12878379 VJBKCENSJXGDAS-SNVBAGLBSA-N 391.767 2.255 50 40 GEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 409252353 XKKYQRGPIOOZKD-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB CC1(C)O[C@@H](CI)[C@H](CI)O1 100099036 WHRBZHCFRKKRJE-WDSKDSINSA-N 381.979 2.377 50 40 GEGB C/C(=N\N(C=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)c1ccccc1 6046062 VYALJDUWHJMOOW-CJLVFECKSA-N 379.416 2.381 50 40 GEGB CCOc1ccc(S(=O)(=O)NNC(=O)/C=C/c2cccc(OC)c2)cc1 5062477 OWQHMGPRLLQFIE-KPKJPENVSA-N 376.434 2.117 50 40 GEGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1 9329863 DSILYYSWCZECAP-AWEZNQCLSA-N 388.445 2.289 50 40 GEGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1O 8336650 WUOUCSYLNMIVNF-QGMBQPNBSA-N 376.438 2.059 50 40 GEGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)(C)C)=C1C 4517141 OOOXAFKDZOXWPU-QFIPXVFZSA-N 391.427 2.102 50 40 GEGB Cc1ccc(-c2c(C(=O)N/N=C/[C@H]3CC=CCC3)nnn2-c2nonc2N)cc1 5072045 GGAOIBVAWZNQPD-PUFAJPFRSA-N 392.423 2.280 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC 4735390 CLCYNUVQUQIORR-VXLYETTFSA-N 389.364 2.019 50 40 GEGB N#CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 9219651 BYLZAXDUXZOALW-UHFFFAOYSA-N 388.387 2.004 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc(OC)c1O 17079892 RHHBPTXDLNZMFH-MRXNPFEDSA-N 391.383 2.469 50 40 GEGB CCN1C(=O)/C(=C\C=C2\SCCN2CI)OC1=S 17424486 HLOUTLRQXDZNLL-BQYBEJQRSA-N 396.275 2.317 50 40 GEGB O=C(N/N=C1/c2ccccc2-n2c1nc1ccccc1c2=O)c1ccc(O)cc1O 102701411 QOGYXHTTWVWLKF-CLCOLTQESA-N 398.378 2.293 50 40 GEGB CSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2C)n1 28287088 BDEMUZCMPFHWHP-UHFFFAOYSA-N 381.255 2.344 50 40 GEGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)c1 7380474 LHBJVHWQZVBGBA-UHFFFAOYSA-N 390.417 2.382 50 40 GEGB O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1cncn1-c1ccccc1 8746621 ZADZANUBOZBTCQ-LJQANCHMSA-N 375.432 2.127 50 40 GEGB COc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 27771047 DGJMMZIERZFLCJ-CYBMUJFWSA-N 387.823 2.163 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2c(C)cccc2C)c1C 58914012 VZFFHUGDRHYAES-QRVIBDJDSA-N 384.480 2.314 50 40 GEGB COc1cc(C(=O)NN)ccc1OCc1ccc(I)cc1 226360857 PJRFAUBZHBZMQF-UHFFFAOYSA-N 398.200 2.482 50 40 GEGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccccc2OC)cc1 6065444 INPHSKUZISWPOG-GZTJUZNOSA-N 380.400 2.470 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Cl)c1OCC(=O)O 6320044 RSHUQSRZHSYOCM-DNTJNYDQSA-N 377.784 2.158 50 40 GEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 40013478 RFMGNPGHMSWPHG-UHFFFAOYSA-N 385.405 2.440 50 40 GEGB Cc1c(C(=O)N/N=C/c2ccccn2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409055844 LBPPOJWNLJXOOU-FOKLQQMPSA-N 392.806 2.225 50 40 GEGB Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1 2375452 CLXFHNOOWFJTHJ-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)NC(N)=O 409220548 BHMJQJHLTWFSPD-XFFZJAGNSA-N 397.303 2.397 50 40 GEGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)C(C)C)o2)cc1C 408780813 LFJJQOUGUMYUON-SSDVNMTOSA-N 384.436 2.257 50 40 GEGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OC)c3OC)CC2=O)cc1 409157661 WCIGQFWTGGNDPB-SRMCNWIXSA-N 397.431 2.216 50 40 GEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[C@]13CC[C@](C)([C@H](O)C1)C3(C)C)C[C@@H]2O 5206149 KTHKFBXSXFSTAX-LTNQDUNBSA-N 392.540 2.288 50 40 GEGB CCn1nc(C(=O)N/N=c2/sc3ccccc3n2C)c2ccccc2c1=O 2617803 UWTQBVVQEZKDDL-XUTLUUPISA-N 379.445 2.215 50 40 GEGB CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408527231 FNJNGNNBLGMCDQ-CQSZACIVSA-N 383.290 2.301 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)N3C(=O)[C@@H](C)SC3=C2C#N)cc(OC)c1OC 2420742 STNOTWZSJFZBCD-RFAUZJTJSA-N 398.444 2.203 50 40 GEGB O=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(Br)cc1 2660813 KFJMXSAHYHGHPH-UHFFFAOYSA-N 381.201 2.357 50 40 GEGB COc1ccc(OC)c([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5577273 RCEHSXJOTGDHRA-IEBWSBKVSA-N 375.432 2.059 50 40 GEGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3cccc(N(C)C)c3)ccc12 6831443 HXKRLBCEZFWSJY-UHFFFAOYSA-N 395.415 2.007 50 40 GEGB O=C(Cn1cccc(C(F)(F)F)c1=O)NNC(=O)c1cc2c(s1)CCCC2 12985944 GMNNCRFCBXQMAR-UHFFFAOYSA-N 399.394 2.269 50 40 GEGB C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 58006586 QFHOCQFNMFTMRG-OAHLLOKOSA-N 397.475 2.329 50 40 GEGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58882911 IIWCVRVDUOAQPW-PMIGXTIBSA-N 395.459 2.433 50 40 GEGB O=C(CN1CCOCC1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 59246413 FTTNHALXZIMDFM-GRSHGNNSSA-N 392.799 2.291 50 40 GEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(OC)cc1 59490237 VFGBOIUCCJGRTF-UDWIEESQSA-N 393.440 2.141 50 40 GEGB C=CCOC(=O)C1=C(C)N(CC=C)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517079 QXGRBOJNQQBMKH-OAQYLSRUSA-N 377.400 2.042 50 40 GEGB C=CCn1c(S)nc2cc(C(=O)NNC(=O)c3ccccc3F)ccc2c1=O 26971537 IGEWDYDNZFCFQX-UHFFFAOYSA-N 398.419 2.085 50 40 GEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cncc(Br)c2)c1O 2321509 DJSNSDAGFGXYJR-UBKPWBPPSA-N 395.169 2.230 50 40 GEGB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1ccccn1 8315988 KLXFDRHLDZMFEW-UHFFFAOYSA-N 375.384 2.153 50 40 GEGB CCC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1 8876430 RDVXSBIKDRFJQS-UHFFFAOYSA-N 384.432 2.447 50 40 GEGB O=C(CN1CCCCCC1=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 14250133 BAEVUBTXANXGCM-UHFFFAOYSA-N 382.464 2.210 50 40 GEGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccccc1 4699426 YSTOPXFPALMQLS-UHFFFAOYSA-N 396.230 2.410 50 40 GEGB N#C/C(=C\c1cc(Br)c2c(c1)OCO2)C(=O)NC[C@@H]1CCCO1 7159917 JITMYROLBBGTQO-QNCMIEPLSA-N 379.210 2.380 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 11404591 GPRKYVOAQISWHU-LJQANCHMSA-N 389.496 2.242 50 40 GEGB O=C(N/N=C/C=C\c1ccccc1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104064847 WMJCKEYQBWMJLW-UOWZEBRGSA-N 398.335 2.146 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317439 IOOPUFUCQOWKSF-SGVFRHMUSA-N 379.290 2.180 50 40 GEGB C[C@H](Oc1ccccc1F)C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1 7383663 GDUXBEDCWVXLOY-VIFPVBQESA-N 390.795 2.395 50 40 GEGB CC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)c(F)c1 45127497 WDAVNOQGIXCZLD-UHFFFAOYSA-N 384.411 2.205 50 40 GEGB C/C(=N/NC(=O)CCC(=O)N/N=C(/C)c1ccccc1O)c1ccccc1O 100064759 GWKYQHCNWFJURA-JZTLMNBPSA-N 382.420 2.259 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc([N+](=O)[O-])c1O 106717326 BXKYFHNFCOXBSU-VXLYETTFSA-N 389.364 2.480 50 40 GEGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 4676496 KNDLXBWWJPXZSS-RGVLZGJSSA-N 386.433 2.098 50 40 GEGB COC(=O)c1ccccc1N/C=C1\C(=O)N(C[C@@H]2CCCO2)C(=O)C(C#N)=C1C 9340508 RYPPOSXXMJFTIC-FMNVXAMXSA-N 395.415 2.157 50 40 GEGB Cc1ccc(NCC(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1 408535031 XFUITLHAWOZNBZ-WYMPLXKRSA-N 377.448 2.387 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408906247 BELKOZFARPPCHG-NNIWKIFQSA-N 384.392 2.402 50 40 GEGB Cn1cc(C(=O)NNC(=O)NCc2ccc3c(c2)OCCO3)c2ccccc21 40024093 UFWMUNXNWGNQQP-UHFFFAOYSA-N 380.404 2.094 50 40 GEGB O=C(N/N=C/c1ccco1)C(Cc1ccccc1)C(=O)N/N=C/c1ccco1 4713596 SSUURWMPMUUTRM-JFMUQQRKSA-N 378.388 2.332 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6584938 FVDSDXROSWYFSZ-XDHOZWIPSA-N 391.518 2.320 50 40 GEGB Cc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1 7939988 RUZZCDADDWZNGB-UHFFFAOYSA-N 397.431 2.108 50 40 GEGB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)c1 8474867 QOXMZEGHRJLCKD-HSIZDUNOSA-N 396.237 2.213 50 40 GEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(C(=O)c2ccco2)C1 25317951 DBJWMNVUHXKOTN-ATFGOMPUSA-N 399.491 2.496 50 40 GEGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)c1ccccc1 28214419 QKVFCGUMKQYPMW-CCULFSDZSA-N 383.448 2.428 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102202003 BFXQXVKJOBQUEX-LUVWLHFXSA-N 386.448 2.033 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(C)(=O)=O 408914183 WAKWELURONLVFX-YBFXNURJSA-N 395.868 2.265 50 40 GEGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)NC(N)=O)cc1 409241745 UMDVZYGNEBZJOG-GDNBJRDFSA-N 378.388 2.114 50 40 GEGB COc1cccc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1O[C@H](C)C(=O)O 409248936 LZPUPSXSRNNIGP-LNOXHEFASA-N 385.420 2.377 50 40 GEGB Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc2ccccc2c1 4713816 QZBVIPNLMGAILV-UHFFFAOYSA-N 377.400 2.313 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)/C=C2\NC(C)(C)Cc3ccccc32)ccc1O 4811555 PYIBPUDFYSTBLA-JLGGYXEDSA-N 393.443 2.385 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1 32667668 FTGVEULVEZHPFO-UHFFFAOYSA-N 379.756 2.097 50 40 GEGB CN(CC(=O)N/N=C\c1cccnc1)S(=O)(=O)c1ccc2ccccc2c1 33720431 TYOIPSPVHKHETF-BKUYFWCQSA-N 382.445 2.006 50 40 GEGB C[C@@H](C(=O)N/N=C/c1ccn(CC(F)(F)F)n1)n1ccc(C(F)(F)F)n1 252496277 PFCYUSWAQJDNCM-IOVQKJTJSA-N 382.268 2.372 50 40 GEGB CCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1cccs1 6509707 JKNJCIJDTFELBR-UHFFFAOYSA-N 377.451 2.173 50 40 GEGB CCOC(=O)N1C[C@H](Br)[C@H](Br)CN1C(=O)OCC 1721643 AYXQOHJSFDTFJE-OCAPTIKFSA-N 388.056 2.359 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1 2310479 MRGOIXJTSQMIPQ-HOTGVXAUSA-N 388.445 2.029 50 40 GEGB CCCc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 14235928 KPOFUGPRGFMLEW-UHFFFAOYSA-N 376.434 2.034 50 40 GEGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)ccc12 36092141 FMVFIJKXWBXORA-AWQFTUOYSA-N 397.343 2.244 50 40 GEGB Cc1cc(C)nc(N2CCC(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)n1 4966067 YDEVJVSYUOVLPZ-UHFFFAOYSA-N 387.871 2.424 50 40 GEGB CCn1nc(C(=O)NNC(=O)CCc2ccc(Cl)cc2)c2ccccc2c1=O 10708464 XDLLHNVOPXNBBY-UHFFFAOYSA-N 398.850 2.464 50 40 GEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c1 408777175 WJAOUPUBOQLASP-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20060252 UHWNQCNHBTZDQK-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB COc1ccccc1OCC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6511603 AIRJVFOHYDMWGX-UHFFFAOYSA-N 379.372 2.459 50 40 GEGB COc1ccc(C(=O)N/N=C(\C)c2ccc(S(C)(=O)=O)cc2)cc1OC 7234412 QATYJAYDAVHEBF-XDHOZWIPSA-N 376.434 2.261 50 40 GEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)cc1 408797046 QTNATNTYMDZTAY-NTCAYCPXSA-N 381.388 2.448 50 40 GEGB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408680766 GMAQJCLTHULOGK-GRRRKWKPSA-N 381.182 2.104 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409187614 SLKVZYHOLAGHPK-YBFXNURJSA-N 385.449 2.089 50 40 GEGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408681556 FOIYSFUZBVDSLX-GRRRKWKPSA-N 381.182 2.104 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 104351344 HCDIVZJRKOYGHX-LGMDPLHJSA-N 376.368 2.234 50 40 GEGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1OCC 409305633 WGZDULWFORHPQE-UUYOSTAYSA-N 385.420 2.112 50 40 GEGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(NC(=O)C2CC2)cc1 23914881 RHHIAZZKOKOUDS-UHFFFAOYSA-N 391.225 2.201 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409127919 KGXRCFDJSHCOHX-CPNJWEJPSA-N 375.450 2.245 50 40 GEGB CN1CCC(=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 15231435 GDLUJRBEQPRRLZ-UHFFFAOYSA-N 376.766 2.495 50 40 GEGB COc1cccc(/C=N/NC(=O)N/N=C/c2cccc(OC)c2OC)c1OC 1681015 CDRXZHLYGXTGPO-HGEIODPWSA-N 386.408 2.388 50 40 GEGB COc1cc(N2N=C(C)/C(=C/NNC(=O)c3cccnc3)C2=O)ccc1Cl 108018209 DNOLJOCFNBCLHH-UVTDQMKNSA-N 385.811 2.285 50 40 GEGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 12137415 ORWFYGMLTVBJPX-LJQANCHMSA-N 397.475 2.396 50 40 GEGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1COc2ccccc2O1 2356832 LNDFSCNHORCGQP-AOVQIXHVSA-N 377.194 2.445 50 40 GEGB O=C(NNC(=O)c1cccnc1O)c1ccccc1OCCOc1ccccc1 12979511 CIARBPNRVBRYTB-UHFFFAOYSA-N 393.399 2.320 50 40 GEGB O=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccc(Br)cc1 9584422 KYBJSBZVNWVONP-UHFFFAOYSA-N 397.250 2.058 50 40 GEGB NNC(=O)c1ccc2[nH]c(-c3cccc(I)c3)nc2c1 226235513 ZBTXWYYWTHQONY-UHFFFAOYSA-N 378.173 2.438 50 40 GEGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334338 OROHDNFZUIVFJR-WZUFQYTHSA-N 397.225 2.005 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 104865700 WUXZGMLPULYBSJ-CYVLTUHYSA-N 391.427 2.441 50 40 GEGB O=C(/C=C/c1ccccc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 25764947 BJYWECLQCFKAKE-VAWYXSNFSA-N 392.503 2.055 50 40 GEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 4698941 HTNQUHRUCOUANX-FYJGNVAPSA-N 398.444 2.016 50 40 GEGB CCOC(=O)/C=C/C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 5868593 JPGZJPQJLIVORX-BQYQJAHWSA-N 389.235 2.419 50 40 GEGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1)OCc1ccccc1 408993920 XNGAZYDVOIHYGO-OGBFJMLUSA-N 391.431 2.398 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1 9015386 KUHWEALDKWLYIN-GFCCVEGCSA-N 376.434 2.339 50 40 GEGB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 31553255 JRQUFBDMLVPQQZ-TZMCWYRMSA-N 377.510 2.330 50 40 GEGB Cc1cc(C(=O)N/N=C\c2cc(I)cc(C)c2O)[nH]n1 4888371 XPGMOCOQEUTMIW-UUASQNMZSA-N 384.177 2.101 50 40 GEGB CC1=NOC(=O)[C@]12C(N)=C(C#N)C(C#N)(C#N)[C@H]2c1cccc(Br)c1 20840342 ZDUOLTXCQZABQO-CXAGYDPISA-N 396.204 2.235 50 40 GEGB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NNC(=O)c1ccncc1 10157611 ZBEJEMDJFNMBHV-UHFFFAOYSA-N 389.375 2.140 50 40 GEGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(N)=O 2768687 VDXWTJHZLCRQTC-LDADJPATSA-N 393.443 2.215 50 40 GEGB Cc1cc(Cl)c(C)c(S(=O)(=O)NNC(=O)c2cnccn2)c1Cl 22411865 LGARFAZCOIBXPM-UHFFFAOYSA-N 375.237 2.024 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(C)c1Cl 817945 JKZGQSJVYQJOLQ-INIZCTEOSA-N 390.823 2.323 50 40 GEGB COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 2352487 VWXODYQDROEWCJ-UHFFFAOYSA-N 382.203 2.402 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(C)(=O)=O 408907259 NSDJNUXQJASQFR-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COc1ccc(CCNCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC 12346277 VGQZDWQXAFFHFJ-LFVJCYFKSA-N 398.507 2.442 50 40 GEGB COc1ccc(/C=N/NC(=O)CNc2cccc(N3CCCC3=O)c2)c(OC)c1 994213 XVEFWUKKPXUOEV-YDZHTSKRSA-N 396.447 2.393 50 40 GEGB CCOC(=O)c1ccc2c(c1)P(=O)(O)c1cc(C(=O)OCC)ccc1O2 1870340 BSFCKHLIJIULMS-UHFFFAOYSA-N 376.301 2.367 50 40 GEGB N#Cc1ccccc1S(=O)(=O)NNC(=O)c1ccc(COc2ccccc2)o1 12785133 GFXJBCTVBOANAI-UHFFFAOYSA-N 397.412 2.354 50 40 GEGB O=C(N/N=C\c1cc(Br)ccc1O)[C@@H]1COc2ccccc2O1 13617665 LNDFSCNHORCGQP-VHXYRJIDSA-N 377.194 2.445 50 40 GEGB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)NNC(=O)c2ccncc2)c1 32119193 JXSPQEKMWKEXTE-UHFFFAOYSA-N 386.477 2.228 50 40 GEGB Cc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(O)=NC2=S)c1 34237651 BUPPEEMOKYBMIA-UVTDQMKNSA-N 396.428 2.107 50 40 GEGB CCCOc1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 40144846 NIMIVVRYLMJBEG-UHFFFAOYSA-N 380.404 2.442 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408616355 XWZXJKTZINSCRS-CYBMUJFWSA-N 387.823 2.163 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OC)c2O)s1 408731940 QYSJLDZRGKJXRZ-VCHYOVAHSA-N 391.453 2.074 50 40 GEGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCC(=O)Nc1ccccc1C 409010891 GCZJYRAIYABJJV-WSDLNYQXSA-N 380.404 2.385 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccccc1O 408786384 JAKQSWZCVHXRCT-HMMYKYKNSA-N 389.477 2.315 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 4702983 CCGHPBFHIHWYCL-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB CCOc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)ccc1OC 16270571 WCZCFVWHDWYDSW-UHFFFAOYSA-N 396.241 2.270 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cccnc2)cc1I 4699064 HXTLDOBRFZAADY-RQZCQDPDSA-N 381.173 2.459 50 40 GEGB COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC 1633087 UVDDRVGAYVQLGT-CVEARBPZSA-N 375.812 2.122 50 40 GEGB CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccc2c(c1)OCCO2 3273794 LPUZGCVUKHHAPX-NTEUORMPSA-N 397.387 2.266 50 40 GEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc1 409057305 JQACUZCMRAOEAZ-QRVIBDJDSA-N 387.399 2.185 50 40 GEGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccccc2)cc1 19955842 LODBFPLBQSCQSG-UHFFFAOYSA-N 375.450 2.403 50 40 GEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc(Cl)cc2)=N/NC(=N)N)s1 17211337 FCVGFSZCXYXBBM-QVVZBNMPSA-N 391.888 2.468 50 40 GEGB Cc1cc(C(=O)NNC(=O)NCc2ccccc2CN2CCCC2=O)c(C)o1 32795634 NBHXIKXTVVSLJE-UHFFFAOYSA-N 384.436 2.163 50 40 GEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1Br 12917659 XHDLCQPZJMJYHG-CQSZACIVSA-N 395.184 2.189 50 40 GEGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1 8372111 OWFCOGDESXTTID-UKWGHVSLSA-N 390.237 2.386 50 40 GEGB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCl 10104433 SMRGAXCTEZDEJU-UHFFFAOYSA-N 385.855 2.053 50 40 GEGB COc1cc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc(OC)c1OC 20238254 BNDQPFIYQMMDKJ-LBPRGKRZSA-N 375.450 2.357 50 40 GEGB O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C1\CN2CCC1CC2 1101616 CUWNHKJBXCRJQP-LSDHQDQOSA-N 381.416 2.198 50 40 GEGB CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1cc(=O)[nH]c2ccccc12 12558531 FVEVEFCVUMINPZ-ATVHPVEESA-N 387.399 2.069 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 59516293 TXHAAXXCSWKLIG-KEBDBYFISA-N 391.811 2.455 50 40 GEGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)n1 3376615 BTQTWOFHQUEGCS-LJQANCHMSA-N 392.415 2.090 50 40 GEGB O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCCO1 64882567 MJLPRKSKDHTLII-AWEZNQCLSA-N 386.370 2.080 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 4984759 HZRXXDBTIUAYGT-UKTHLTGXSA-N 377.360 2.331 50 40 GEGB Cc1cc(-c2ccc(/C=N\NC(=O)CN3CCOCC3)o2)c([N+](=O)[O-])cc1C 408995615 KFZOLOXOOWBQEN-JAIQZWGSSA-N 386.408 2.254 50 40 GEGB Cc1ccc[n+]([C@@H]2[C@@H](c3ccccc3[N+](=O)[O-])C(C#N)=C(S)N[C@]2(C)O)c1 19939650 GTDKYJDJOOCBLX-YQVWRLOYSA-O 383.453 2.492 50 40 GEGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccccc1O 408784189 UHEUNFRAABPBDQ-HMMYKYKNSA-N 389.477 2.315 50 40 GEGB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccc(B(O)O)cc3)n2)cn1 585295270 SHLIWGLEGVZZFW-NRFANRHFSA-N 399.263 2.109 50 40 GEGB CC(C)=NNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 19952441 HRMFWOMEWARQMD-UHFFFAOYSA-N 390.421 2.302 50 40 GEGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 100974956 SKYJHQYWRNCRBL-INIZCTEOSA-N 387.823 2.305 50 40 GEGB COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 2752791 OFNFSQFBJYUODC-YBFXNURJSA-N 386.364 2.178 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1Cl 59516250 NNEYZFYNMRFCOB-KEBDBYFISA-N 391.811 2.455 50 40 GEGB C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C 3303027 XTIBIYNETUCIAQ-RQZCQDPDSA-N 386.452 2.223 50 40 GEGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 7409400 RKDHOBNZOSYNKR-UHFFFAOYSA-N 388.449 2.322 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccn1 40115821 NEOACVSJIORZPA-CYBMUJFWSA-N 381.461 2.369 50 40 GEGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)C3CCC3)s2)c1 2620383 UNZMZGVQWUJZDZ-UHFFFAOYSA-N 393.494 2.330 50 40 GEGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccs2)cc1OC 4950502 HDIUCQWBGDAQBQ-SOFGYWHQSA-N 391.474 2.114 50 40 GEGB Cc1ccoc1C(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 21971424 BVASUEZLYWFKKA-UHFFFAOYSA-N 388.401 2.230 50 40 GEGB COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)[C@@H](Br)C2=O 1384208 RBDPNKDLDKESPX-NXEZZACHSA-N 382.132 2.383 50 40 GEGB O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 24537416 LYWRGIHOKPKWID-UHFFFAOYSA-N 384.270 2.006 50 40 GEGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1 5704505 UARMMNGTTQTTOQ-UHFFFAOYSA-N 390.237 2.030 50 40 GEGB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408680765 GMAQJCLTHULOGK-DZDPUUJWSA-N 381.182 2.104 50 40 GEGB Cc1cc(C)n(CCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)n1 5613338 QBLHHCQVEWZCIZ-UHFFFAOYSA-N 390.241 2.125 50 40 GEGB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1 8433728 WCONPIUMWICPCS-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB CCn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccccc1 651142 YOLVBTDVEBRYEN-UHFFFAOYSA-N 395.488 2.447 50 40 GEGB COc1cc(/C=N\NC(=O)CC#N)ccc1OCC(=O)Nc1ccc(C)cc1 409011891 OXEBVHVPTHDYHM-UUYOSTAYSA-N 380.404 2.385 50 40 GEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc2c(cc1Cl)OCO2 83298159 SWUHQFZHKKQGJF-IOXNKQMXSA-N 375.768 2.360 50 40 GEGB CCOC(=O)CN1CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)CC(=O)N2C1 20347992 CVWYCVCYSQCYKA-OAHLLOKOSA-N 387.461 2.273 50 40 GEGB COc1cc2c(cc1OC)[C@@H](C1C(=O)CCCC1=O)N(C(=O)CCl)CC2 4730547 HQYJASWRSLUXBE-IBGZPJMESA-N 379.840 2.307 50 40 GEGB COc1ccccc1C(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109318 JKOIPIOVABBXPY-UHFFFAOYSA-N 395.390 2.119 50 40 GEGB NNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 409006154 MXQOPLPPMNKXON-UHFFFAOYSA-N 388.276 2.174 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCC(=O)O 13357030 DKAMALREZJEHFK-RIYZIHGNSA-N 396.355 2.402 50 40 GEGB Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c2ccccc21 30600283 JMMACRPXTZLBGS-CQSZACIVSA-N 394.431 2.085 50 40 GEGB Cc1csc(CC(=O)NNC(=O)CN2CCC(Cc3ccccc3)CC2)n1 8307115 SRANZTSUWMRUDG-UHFFFAOYSA-N 386.521 2.096 50 40 GEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1 408813984 GICHEGNIDNOKKZ-BOPFTXTBSA-N 380.400 2.470 50 40 GEGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4661053 BSNOAVRQIZVLSD-MHWRWJLKSA-N 395.419 2.231 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 4703125 MOOIXRDNAJZAEF-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB CCCn1nc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2c1=O 6786702 HUIXYFMLXSEKPC-CIAFOILYSA-N 378.388 2.269 50 40 GEGB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CI)C3)[nH]1 2056226600 VUYINNRXEIHQAX-LLVKDONJSA-N 389.237 2.164 50 40 GEGB COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)OC(=O)[C@@H]21 100913633 AALQLXOJVZHYOM-DLRJPAPCSA-N 399.830 2.455 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 59822601 XYIQOUVWIZQWEH-HZHRSRAPSA-N 383.471 2.164 50 40 GEGB C=CC(=O)N[C@@H](C(=O)OCC)[C@@H](OC(=O)CCBr)c1ccccc1 4719001 YDOGTQXEDWPXAI-CVEARBPZSA-N 398.253 2.290 50 40 GEGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1F 9113892 CLBQAKUSWJQDNZ-UHFFFAOYSA-N 382.804 2.059 50 40 GEGB O=C(NNC(=S)NC(=O)c1ccccc1Br)c1cccs1 12500883 LFXUQDZERBUMDB-UHFFFAOYSA-N 384.280 2.460 50 40 GEGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4357913 UYADCIMIEHBHIC-FYJGNVAPSA-N 398.419 2.269 50 40 GEGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COC(=O)C1CC1 1107251 DSCBBMORJIHJFV-QGZVFWFLSA-N 380.404 2.398 50 40 GEGB CCc1ccccc1-n1cnnc1SCC(=O)NNC(=O)c1ccccc1 24429596 GYCJCNUMAXOZMB-UHFFFAOYSA-N 381.461 2.383 50 40 GEGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cc1 12753541 ZCRUNSRSVRUWRI-UHFFFAOYSA-N 399.428 2.035 50 40 GEGB CCOc1ccccc1OCC(=O)NNC(=O)c1cc2ccccc2oc1=O 4036788 NRLRZJJRDWGAEY-UHFFFAOYSA-N 382.372 2.032 50 40 GEGB COc1ccc(/C=N/NC(=O)CC(=O)/N=N/c2ccc(OC)c(O)c2)cc1O 4899114 DIXBAOOZZGWHJM-JDEURBPGSA-N 386.364 2.266 50 40 GEGB COc1ccc(NC(=S)NNC(=O)CSc2nc(C)cc(C)n2)cc1 36729280 LNSWMKUZTLDWRH-UHFFFAOYSA-N 377.495 2.212 50 40 GEGB COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)cc(OC)c1OC(C)=O 844778 PVLHONLJWOAWOS-LSHDLFTRSA-N 396.403 2.129 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OCC)c2)CC(=O)N1 970663 ISYKQYVFFVLHBQ-LBPRGKRZSA-N 376.434 2.426 50 40 GEGB COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 1633101 CFUGHBUMEYSBNF-IRXDYDNUSA-N 387.823 2.489 50 40 GEGB O=C(COc1ccc(C(=O)N/N=C/c2ccco2)cc1)N/N=C/c1ccco1 3219098 BRWDDRSVTNDNHU-HGEIODPWSA-N 380.360 2.166 50 40 GEGB COc1ccc(C)cc1S(=O)(=O)NNC(=O)COc1c(C)cccc1C 7420573 AFWPOQRUTXGBFX-UHFFFAOYSA-N 378.450 2.009 50 40 GEGB Cc1c(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccccc2)oc2ccccc12 14161561 SCDWJKIOCOMHKL-OAHLLOKOSA-N 380.404 2.302 50 40 GEGB C/C(N)=C(\C#N)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 105802617 VIUNGYBKHNATMM-VBKFSLOCSA-N 378.461 2.153 50 40 GEGB N#C/C(=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)O 3394134 QVKSNNDFNVQWID-IZZDOVSWSA-N 389.209 2.180 50 40 GEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 67197012 VIXGEWQILYEILT-QGMBQPNBSA-N 388.336 2.355 50 40 GEGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 95921767 KRZLYHXYVCHOJV-KRWDZBQOSA-N 384.388 2.148 50 40 GEGB COc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408589230 LASAEYNEFJMVAU-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1 8720064 JAOCGBOCMSVROV-UHFFFAOYSA-N 382.804 2.059 50 40 GEGB CCn1nc(C(=O)NNC(=O)CCc2ccc(C)cc2)c2ccccc2c1=O 10708461 BZPLUUBFYXOJCN-UHFFFAOYSA-N 378.432 2.119 50 40 GEGB CCc1ccc(C(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 22032494 FOKBVEHIALFXEJ-UHFFFAOYSA-N 394.519 2.218 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 58911689 GUNLFKFSFGYKOA-WSDLNYQXSA-N 390.871 2.350 50 40 GEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(CN2CCCCC2)cc1 14187502 NBUTWHHVFPXIOB-HXUWFJFHSA-N 395.459 2.274 50 40 GEGB NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 36724753 XTKJPOXWAYBBCH-UHFFFAOYSA-N 386.502 2.408 50 40 GEGB N#C[C@H](Nc1c(N)nc(N)nc1N)c1ccc(N(CCCl)CCCl)cc1 4822303 RVWNHCKMDYDIPJ-LBPRGKRZSA-N 395.298 2.184 50 40 GEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2)S(C)(=O)=O)cc1 409028196 ISHVEISAHCLMBD-DEDYPNTBSA-N 389.477 2.174 50 40 GEGB CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12755265 IQICBESXAWVHJG-UHFFFAOYSA-N 381.841 2.312 50 40 GEGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCOCC1 408752677 FYXUFWBFOQYQOV-MDWZMJQESA-N 379.210 2.140 50 40 GEGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Cl)cc1 9089449 QJRGSBAKRDFJPT-CHWSQXEVSA-N 379.825 2.137 50 40 GEGB CCn1nc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cc1C(F)(F)F 252498180 QWFAGRJOHVOIMA-CGOBSMCZSA-N 382.268 2.445 50 40 GEGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408824052 PDZVRSDZMCVNRS-QDBSGRMGSA-N 375.812 2.188 50 40 GEGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 9365304 AZZHSCGNFCQYPF-ZBEGNZNMSA-N 376.796 2.095 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2392488 OKQSEFDVSCOHOK-XHADFYDMSA-N 383.379 2.116 50 40 GEGB CN(NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 8358410 LEPXGVQJYKSWEH-UHFFFAOYSA-N 398.488 2.015 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cncn1-c1ccccc1 7131535 XPPWNGLIIMJUAY-UHFFFAOYSA-N 376.825 2.149 50 40 GEGB Cc1cccc2c1N(CC(C)C)C(=O)[C@]21C(C#N)=C(N)NC2=C1C(=O)OC2(C)C 80337482 WXBGSGHVZVLVDS-QFIPXVFZSA-N 392.459 2.122 50 40 GEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@H](C)c2ccccc2)nn1C 2794790 VUPPFLQGPDYDNQ-SECBINFHSA-N 396.314 2.361 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(Br)c1 4855319 WFLHAXYSVQTXIC-CYBMUJFWSA-N 375.178 2.113 50 40 GEGB C[C@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2C1 15513797 ZQOINYCILRVTIU-JTQLQIEISA-N 377.491 2.125 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1O[C@@H](C)CN(C)C 18200758 QXFHPRCMWJDKKH-VOJFVSQTSA-N 383.452 2.274 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 40086929 PVZKCPSJJOPXHE-LBPRGKRZSA-N 394.269 2.140 50 40 GEGB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccccn1 7909678 NZBOTADMFOBSCF-XCLLZBPDSA-N 398.507 2.200 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3OC)CC2=O)cc1 68933303 IJXRAHZKSLTMEE-HNNXBMFYSA-N 381.432 2.072 50 40 GEGB C/C(NNC(=O)c1ccccc1O)=C1/C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 9319187 ZNRAUANMYLKXPT-VBKFSLOCSA-N 394.387 2.332 50 40 GEGB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCCC1 71805628 JETDSEDWUPTQRK-HNNXBMFYSA-N 393.871 2.291 50 40 GEGB NC(=O)CCn1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 408568012 RLKWVYNJBOIZGC-NHDPSOOVSA-N 379.376 2.189 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 408730180 FXOXOMPAOKKROB-LICLKQGHSA-N 390.425 2.268 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccco3)CC2)cc1OC 409006902 SEQVICOLPDWEHD-FYJGNVAPSA-N 385.420 2.299 50 40 GEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H](O)c1ccccc1 5486216 OJMSGQDKJSQMOC-WZCGUGGKSA-N 394.181 2.247 50 40 GEGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](CC)C2 40160842 CZDFVPHOCAWELF-FIXISWKDSA-N 380.514 2.107 50 40 GEGB COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@@H](Br)[N+](=O)[O-] 1905539 PWNPQGKYCNNKRX-KOLCDFICSA-N 394.605 2.384 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2cccnc2)s1 4726473 IENHMGQVWQNDOO-UHFFFAOYSA-N 385.474 2.462 50 40 GEGB O=C(N/N=C/c1ccccc1I)[C@H](O)c1ccccc1 6340603 HOOOXKIIRXJZBF-NGWPFTMJSA-N 380.185 2.475 50 40 GEGB O=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)[C@H]1COc2ccccc2O1 26691881 XAKQIXKJUSGVPW-CYBMUJFWSA-N 394.836 2.352 50 40 GEGB Cc1c(Cl)cccc1N1C(=O)C[C@H](NNC(=O)c2ccc(F)cc2)C1=O 102304168 KHXWFBGIRJJOQA-AWEZNQCLSA-N 375.787 2.354 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101301176 WPYDJQGGLBTLBY-JYVUULFMSA-N 379.290 2.180 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 101304292 RZWPXYNQCQPCJG-OXLCNLPBSA-N 393.317 2.176 50 40 GEGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c1C 57429456 IWWKENFRKTVFQB-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br)c1cccs1 9591948 CQPJBPJMOHKODA-DLFAJOPRSA-N 385.235 2.045 50 40 GEGB COc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc(OC)c1 89423893 GAXFPWIOIJVUGR-HAVVHWLPSA-N 396.491 2.366 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 408911847 OQJQEOWNZQYNPS-RSZPVBOMSA-N 383.404 2.192 50 40 GEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(I)o1 408975487 MFIPVTKAYLWZPD-FRKPEAEDSA-N 398.156 2.306 50 40 GEGB COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC#N 33631070 GKPQQTZBKNMLMU-XKZIYDEJSA-N 382.420 2.193 50 40 GEGB COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC 1633533 XPDCZPRYRUEWFS-HOTGVXAUSA-N 376.796 2.245 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1cccnc1 8755573 FNLGBVMPAZMRBW-UHFFFAOYSA-N 379.395 2.360 50 40 GEGB COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1C 6601997 RHDGEWJEVUCZNW-LBPRGKRZSA-N 376.384 2.380 50 40 GEGB CCCN1C(=O)/C(=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 5739158 KBLWKQHRVFOFBK-UZYVYHOESA-N 382.376 2.251 50 40 GEGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 9972327 BXFINLBLDUGMQL-GIJQJNRQSA-N 388.336 2.349 50 40 GEGB CC(C)N1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Cl)ccc21 79494548 VOXHVSVEBMMNTP-FQEVSTJZSA-N 398.850 2.219 50 40 GEGB COc1cc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc(OC)c1OC 226367746 ICDKHDVHISEHRJ-UHFFFAOYSA-N 383.404 2.268 50 40 GEGB Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 1471841 XATPFMRYQGIVTJ-SFHVURJKSA-N 388.431 2.057 50 40 GEGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1 857145 DHZQQQBYVYODSR-AWEZNQCLSA-N 388.221 2.016 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(C)c1Cl 817944 JKZGQSJVYQJOLQ-MRXNPFEDSA-N 390.823 2.323 50 40 GEGB COc1ccc(/C=C(\C#N)C(=O)NNC(=S)NC(=O)c2cccc(C)c2)cc1 2287526 GVBFXSCYECQJLL-LFIBNONCSA-N 394.456 2.246 50 40 GEGB O=C(NN/C=C1\C(=O)N(CCc2ccc(F)cc2)C(=O)N=C1O)c1ccccc1 33930098 JISONOQMLPPUCC-VBKFSLOCSA-N 396.378 2.105 50 40 GEGB Cc1c(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc2ccccc12 7380277 LKXHNERKOAJFHG-UHFFFAOYSA-N 375.362 2.273 50 40 GEGB COc1cccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)c1OC 12917169 OTKXKRNTVFRPAS-UHFFFAOYSA-N 384.417 2.297 50 40 GEGB N#C/C(=C/c1cccc(Br)c1)C(=O)NCCCN1CCOCC1 24303132 UVARVKUWEPLUEZ-PTNGSMBKSA-N 378.270 2.195 50 40 GEGB COc1cc(/C(C)=N/NC(=O)CNc2ccccc2)ccc1S(C)(=O)=O 57779455 IKDZMEOEGIDGRZ-DEDYPNTBSA-N 375.450 2.051 50 40 GEGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59459644 DUMGSTVKNGSEMH-HZHRSRAPSA-N 383.448 2.259 50 40 GEGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)s1 408732071 RMSQTIGNEFEHOC-GIJQJNRQSA-N 386.437 2.589 50 40 GEGB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NNC(=O)c1cccs1 7737488 PUYYECSMHQURLK-UHFFFAOYSA-N 384.413 2.183 50 40 GEGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6324048 RBFWQADGGWSFEW-AWEZNQCLSA-N 387.461 2.071 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 4132530 IOQUCYGJWUKOHC-ATFGCDJJSA-N 377.364 2.064 50 40 GEGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-] 5604258 DBXJCBDYFNJVDR-RASMCUEKSA-N 378.388 2.240 50 40 GEGB CN1c2ccccc2C2=C([C@H](c3ccc(O)cc3)C(C#N)=C(N)O2)S1(=O)=O 57510500 GBEHCFZJUNVQBH-MRXNPFEDSA-N 381.413 2.348 50 40 GEGB COc1ccccc1NCC(=O)NN[C@@H](C)C(=O)Nc1cccc(Cl)c1 3322031 OTTUBUHUUUKHAO-LBPRGKRZSA-N 376.844 2.409 50 40 GEGB C/C(=C/C(=O)C(F)(F)F)NNC(=O)C(=O)Nc1ccc(Br)cc1 4725141 CHSIWOMERSWAHD-SREVYHEPSA-N 394.147 2.044 50 40 GEGB COc1ccc(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1OC 2661813 JVKONLATCFJYKK-UHFFFAOYSA-N 378.812 2.370 50 40 GEGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)n1 3376618 BTQTWOFHQUEGCS-IBGZPJMESA-N 392.415 2.090 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@H]3Oc4ccccc4O[C@H]3C)ccc21 14258890 HJWMZZDXRMNIRK-BUXKBTBVSA-N 394.431 2.354 50 40 GEGB Cc1cc(C(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)s1 4883222 QTAPZJQQKFOACU-UHFFFAOYSA-N 388.445 2.332 50 40 GEGB COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(C)cc2C)c(OC)c1 15934311 JVIMFFXXIGWLHG-UHFFFAOYSA-N 379.438 2.336 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 408906666 CZKCHVGQSKUCHY-NNIWKIFQSA-N 384.392 2.402 50 40 GEGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1OC 409335471 OENABWLAYJFFCY-UUYOSTAYSA-N 385.420 2.112 50 40 GEGB Cn1cccc1C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 14235912 PALGUJGWSWMUKA-UHFFFAOYSA-N 381.763 2.321 50 40 GEGB O=C(CCCCCCC(=O)N/N=C/c1cccnc1)N/N=C/c1cccnc1 5580039 SAZRHYSMEFCORA-DFEHQXHXSA-N 380.452 2.418 50 40 GEGB Br[C@@H]1C[C@@H]2C[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 169426924 OSPRNWJVZBLALK-UKKRHICBSA-N 398.091 2.430 50 40 GEGB CCOC(=O)/C(C#N)=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6373237 JZFIOBURKVICQZ-KHPPLWFESA-N 378.435 2.326 50 40 GEGB CCOc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1OCC 3375135 IOWVZTGDASBCCV-UHFFFAOYSA-N 386.404 2.102 50 40 GEGB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1ccc(F)cc1 8752948 AEFWMCIFSALWLE-UHFFFAOYSA-N 391.708 2.121 50 40 GEGB C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 40161148 DHSYWUVHHZPLCJ-QINSGFPZSA-N 383.429 2.444 50 40 GEGB NNC(=O)/C=C/c1ccc(OCc2cccnc2)c(I)c1 226332956 XXLWIKGCCYGKBN-GQCTYLIASA-N 395.200 2.268 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC)cccc2OC)cc1Cl 6583672 CCKHQSGLONLFRJ-KEBDBYFISA-N 391.811 2.455 50 40 GEGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2F)c(C)c1 6607405 JYRWWTYXAAOWQP-KEBDBYFISA-N 377.441 2.180 50 40 GEGB COc1ccc(C(=O)NCCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 24963698 KYFRCXGEKSAETL-UHFFFAOYSA-N 389.839 2.320 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1 409364732 OZLMZIURJVCZLX-BKUYFWCQSA-N 397.387 2.317 50 40 GEGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 409017826 GCSLHWXCKHCYKM-STZFKDTASA-N 398.419 2.133 50 40 GEGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)N1CCCCCC1 5514053 BJJKYVJYTAQPSD-WOJGMQOQSA-N 382.258 2.310 50 40 GEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(O)c(OC)c1[N+](=O)[O-] 20100836 FCOMDFCPXOQPLP-VXLYETTFSA-N 389.364 2.237 50 40 GEGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 6441117 GKJGOUIFAHQNJJ-CQSZACIVSA-N 391.518 2.243 50 40 GEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2O)c(C)c1 6456191 HDEXVJCHDLWYFH-RGVLZGJSSA-N 389.477 2.088 50 40 GEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59515620 LMSBJKPNRZOEQC-MFKUBSTISA-N 388.427 2.427 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 3333154 RFFYULMANYBYKU-UHFFFAOYSA-N 394.431 2.338 50 40 GEGB O=C(Cc1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408778066 AAAQPMYHTAAUQD-KGENOOAVSA-N 397.456 2.451 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc2ccccc12 20214962 WHWMHGQIHRSYRY-FYJGNVAPSA-N 382.445 2.151 50 40 GEGB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNCc1cc(F)ccc1F 84752876 JPGRSQIHDMZZPQ-IBGZPJMESA-N 386.402 2.314 50 40 GEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)c1 409059752 NZWIQZJPSXQTTC-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(N)=O 408727431 SBPVEIMIQYYZCO-LZCJLJQNSA-N 392.978 2.152 50 40 GEGB Cc1c(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)oc2ccccc12 15497388 WNGNONLSHKWZMU-UHFFFAOYSA-N 386.429 2.361 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N 408906806 KPQRQEZJHMVTJZ-MMTNMYCKSA-N 394.431 2.396 50 40 GEGB COc1ccccc1NCC(=O)NNC(=O)c1ccc(Br)cc1F 32883657 LXLWGBXZDZGHNH-UHFFFAOYSA-N 396.216 2.470 50 40 GEGB O=C(CCc1ccccc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839296 TYUPVKKAZAIISY-UHFFFAOYSA-N 375.428 2.290 50 40 GEGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 27026433 RUJVNUZHZFTWFN-AAGJOFLKSA-N 392.477 2.084 50 40 GEGB Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(C#N)cc1)C2 10400439 RLKKDINCVCDHIO-UGSOOPFHSA-N 381.457 2.498 50 40 GEGB COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)OC(=O)[C@@H]21 106339406 AALQLXOJVZHYOM-BIZBXSGISA-N 399.830 2.455 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc(OC)c2O)c1 110405001 INYQHRYAJSHSTM-NVMNQCDNSA-N 375.337 2.090 50 40 GEGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=S)NCCCc1ccccc1 408588052 WRUKQXXWYYTCSL-UHFFFAOYSA-N 388.449 2.102 50 40 GEGB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNc2nc(C)cc(C)n2)c1 11333715 BAPORFJZMNHKRJ-UHFFFAOYSA-N 391.497 2.189 50 40 GEGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1cccc(OC(F)(F)C(F)F)c1 2792503 QGPMLCLPLLHTBE-NSHDSACASA-N 395.378 2.211 50 40 GEGB COc1cc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1 7960604 CJXUDXRBNGTJJI-MMQHEFTJSA-N 388.395 2.471 50 40 GEGB CCOC(=O)/C(=C/NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 408896418 YKJPNUGQYXAOFR-GHRIWEEISA-N 397.387 2.088 50 40 GEGB CC(C)(C)[Si](OC[C@H]1OC=C[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 169876731 HIVBZUOTQALJIU-NJDAHSKKSA-N 384.548 2.197 50 40 GEGB CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6542834 HREKEPYIXWSWLU-UDWIEESQSA-N 377.441 2.159 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)/C=C2/NC(C)(C)Cc3ccccc32)ccc1O 106818762 PYIBPUDFYSTBLA-SUZRSMNGSA-N 393.443 2.385 50 40 GEGB Cn1c(CC(=O)NNC(=O)COc2cccc3ccccc23)nc2ccccc21 12550417 HPNIFSPFMPFOHH-UHFFFAOYSA-N 388.427 2.495 50 40 GEGB COc1ccc(NC(=S)NNC(=O)c2nnn(-c3ccccc3)c2C)cc1 8685002 KMQSQEDTDIVFRX-UHFFFAOYSA-N 382.449 2.216 50 40 GEGB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2)C1=O 38178503 VDGHZBXFLYOLEJ-OWBHPGMISA-N 394.387 2.327 50 40 GEGB O=C(NN/C=C1/C(=O)N(CCC2=CCCCC2)C(=O)N=C1O)c1ccncc1 38186710 YCASIZJKYXFFOQ-NTCAYCPXSA-N 383.408 2.009 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)cc2O)c(Br)c1 5927151 CURHQEHKPXRJAF-UHFFFAOYSA-N 395.209 2.009 50 40 GEGB CS(=O)(=O)Nc1cccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1 30952883 RGBKVFAOOJDYJS-QGZVFWFLSA-N 385.401 2.005 50 40 GEGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc4ccccc4cc3O)C2=O)cc1 2656258 HLSALYVSBDVKIB-GOSISDBHSA-N 389.411 2.420 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c(OC)c1 106279150 MKUWPQPVXBKVLI-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)CSc1nnc(C)n1-c1ccccc1 4615117 ODRLVGBEHYSGAM-UHFFFAOYSA-N 381.461 2.437 50 40 GEGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-] 5604378 DBXJCBDYFNJVDR-GVCYILSRSA-N 378.388 2.240 50 40 GEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 8450261 FSWHFLSGKGEGOF-AFUMVMLFSA-N 388.427 2.427 50 40 GEGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(Cl)cc2)C1=O 6451608 BHWUJMBEPKNBOU-MNUWJXFPSA-N 398.806 2.263 50 40 GEGB COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccccc2)[nH]1 10475538 KOGKJWZSQHJTGO-UHFFFAOYSA-N 383.433 2.034 50 40 GEGB COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)cc(I)c1O 103702647 YPTSNQXEUCODKZ-XNWCZRBMSA-N 392.156 2.172 50 40 GEGB N#CC(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)=C1Nc2ccccc2N1 6056040 SOYFTHIEVGYKGN-SFHVURJKSA-N 377.356 2.211 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6884594 YYGHRVOZKHOGLY-RYUDHWBXSA-N 395.843 2.097 50 40 GEGB Cn1cc(I)c(C(=O)N/N=C/CCc2ccccc2)n1 4957674 PLQHJDRQPZTSCD-CXUHLZMHSA-N 382.205 2.373 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(NC(C)=O)c3)ccc21 9882981 OZZXLKHJQPGBOD-UHFFFAOYSA-N 379.420 2.398 50 40 GEGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1cccs1 21326481 ROTUNZNCVPHSFY-BXUZGUMPSA-N 393.440 2.069 50 40 GEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 409211941 KUTTVQUQRYQLGO-DNTJNYDQSA-N 397.347 2.208 50 40 GEGB COc1ccc(Oc2c(C)n[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1 8914617 BIIFKVUFJVHHTB-UHFFFAOYSA-N 384.392 2.260 50 40 GEGB N#C/C(C(=O)NCCc1ccccc1)=C1/C(=O)Nc2cc3c(cc21)OCCO3 61720843 QWYMQGNSSBQACF-CYVLTUHYSA-N 375.384 2.046 50 40 GEGB Cn1nc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1=O 12761346 FAJRYEIOVKEHKN-UHFFFAOYSA-N 391.214 2.315 50 40 GEGB Cc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1 6509135 KUEKJLYVLOZNNT-UHFFFAOYSA-N 392.502 2.099 50 40 GEGB Cn1cccc1/C=N/NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 7989591 KXUYEVISTAXNPV-RCCKNPSSSA-N 396.472 2.268 50 40 GEGB COc1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1OC 408973667 NWJMCSBZQMXLAD-ORWNMUSCSA-N 381.432 2.170 50 40 GEGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]13)[C@H]2Br 408680767 GMAQJCLTHULOGK-HKLHZYFVSA-N 381.182 2.104 50 40 GEGB COc1ccc(/C=N\NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 33336419 QFJPLMLATWARCU-NDENLUEZSA-N 395.444 2.492 50 40 GEGB C[C@@]1(CI)CO[C@](C)(CI)CO1 6200042 ZFJOCMDMXPIRAY-HTQZYQBOSA-N 396.006 2.421 50 40 GEGB O=C(COC(=O)CCC(=O)c1ccccc1)NNC(=O)c1ccccc1Cl 8433614 AFXOFZPZZMEDLF-UHFFFAOYSA-N 388.807 2.307 50 40 GEGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccc(Br)o2)[C@H](C(=O)O)C1 2797511 DTIJWCVZTYRKBX-NXEZZACHSA-N 385.214 2.250 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 58918884 VNJSDOZGTQFBLS-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 3284246 UHYZYZTXWZDNJM-XSFVSMFZSA-N 387.461 2.244 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1C 14244250 HQWQVICYFNPROQ-MRXNPFEDSA-N 385.395 2.095 50 40 GEGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(OC)c1OC 1052903 IUWJRYCYAFRLJN-VXLYETTFSA-N 389.364 2.150 50 40 GEGB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 3523426 DZAVXAGJVXBUGU-UHFFFAOYSA-N 382.203 2.194 50 40 GEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1OCC 23382645 IHEOZMCIATWBSV-LFIBNONCSA-N 390.436 2.087 50 40 GEGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OC 3088352 QPORKVGTSIUTKP-SRZZPIQSSA-N 375.812 2.124 50 40 GEGB Cc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 937565 FXUOLRWSBGHUOS-IMRMQAIZSA-N 395.488 2.437 50 40 GEGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(C)cc1C 9423606 FLYHZCSDPUXBFN-RGEXLXHISA-N 394.475 2.140 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1OC 408609148 YZBRBCWDIDLINO-HNNXBMFYSA-N 386.433 2.262 50 40 GEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409248218 COJABFRCFNHCSM-NSMHLIOHSA-N 396.447 2.069 50 40 GEGB CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(Br)cc21 223762963 LDVKSRDYOBZQFN-LGMDPLHJSA-N 382.283 2.387 50 40 GEGB Cc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2)c1O 5943066 NXJVPMSKVLGJAV-UHFFFAOYSA-N 379.210 2.303 50 40 GEGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)c2ccccc2F)sc1=O 4942512 RLVCFBQOIDEOIQ-CNHKJKLMSA-N 385.804 2.029 50 40 GEGB CCCCCCn1nc(C(=O)OCC(=O)/C(C#N)=C(\C)N)c2ccccc2c1=O 21540859 IHIRIIKZCIARQB-SAPNQHFASA-N 396.447 2.459 50 40 GEGB Cc1cc(N2C[C@@H](C(=O)NNC(=O)CC(C)C)CC2=O)ccc1Br 40069157 WFDFVECACJRMFB-LBPRGKRZSA-N 396.285 2.304 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 8114328 NCPXOILMYBWWGR-DACUGSJHSA-N 385.395 2.346 50 40 GEGB CCOc1cc(/C=N/Nc2nncn2N)ccc1N(CCCl)CCCl 5845189 STQJNJOSZGDKJY-VXLYETTFSA-N 386.287 2.121 50 40 GEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2ccccn2c1=O 2400636 WIJIJKXKIAFCEB-ACCUITESSA-N 376.372 2.148 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 19953656 WTPGGRSVJMSUON-DZUMZMOTSA-N 393.440 2.139 50 40 GEGB O=C(NN/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O)c1ccccc1 5093281 LIFHTQYTRMQALK-XNTDXEJSSA-N 382.351 2.063 50 40 GEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\C=C\c1ccccc1 13811336 XIMUPUZPZXTEPU-DLLFGIHUSA-N 382.441 2.022 50 40 GEGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1O 20086081 ONVPQXQIIWZPKT-QGZVFWFLSA-N 375.384 2.471 50 40 GEGB CN1C(=O)c2cccc3c(S(=O)(=O)NNC(=O)c4ccccc4)ccc1c23 41091306 DAZJWAUYWJNGGQ-UHFFFAOYSA-N 381.413 2.053 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 58914010 JJINQJHFWLLTNI-UUYOSTAYSA-N 390.871 2.350 50 40 GEGB CC1(C)O[C@H](CI)[C@@H](CI)O1 100099034 WHRBZHCFRKKRJE-PHDIDXHHSA-N 381.979 2.377 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 101315241 CEDSNXFWJSXLAD-HMILLTCMSA-N 397.280 2.319 50 40 GEGB Cc1occc1C(=O)NNC(=S)NC(=O)c1ccccc1Br 3258924 RULXLDFGYFORRL-UHFFFAOYSA-N 382.239 2.300 50 40 GEGB NC(=O)N1CCC(=NNC(=O)COc2ccccc2Cc2ccccc2)CC1 32869057 IKXOCPHXMVIFQU-UHFFFAOYSA-N 380.448 2.303 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(F)cc1 408774845 YHDMKMDCXMVYDS-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(N)=O 408970936 BAICSFFGJYGSLA-LSHDLFTRSA-N 397.387 2.078 50 40 GEGB COc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccc3c(c1)OCO3)OCO2 409199491 ODBOJAYTRHGYNT-LHHJGKSTSA-N 380.356 2.376 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OC)c3O)CC2=O)cc1 6962935 PLWFTYIAOXXHLH-HJGVYBFFSA-N 397.431 2.303 50 40 GEGB Cc1c(C(=O)NNS(=O)(=O)c2ccccc2Cl)sc(=S)n1C 2365684 OLSKZVQUNJPAQT-UHFFFAOYSA-N 377.900 2.401 50 40 GEGB N#Cc1ccc(OCC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 5505971 HVIXWPVGVDKZKU-UHFFFAOYSA-N 393.321 2.182 50 40 GEGB Cc1ccccc1C(=O)NCC(=O)N/N=C\c1ccc(O)c(Br)c1 39978366 MDSNJCHKOSMDNG-UKWGHVSLSA-N 390.237 2.343 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1OCC 32125484 QUKMGAGHRNWSKT-OEAKJJBVSA-N 384.436 2.036 50 40 GEGB N#CCC(=O)N/N=C(/c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 4293410 OURSQWNYAZOOPJ-ATJXCDBQSA-N 396.472 2.399 50 40 GEGB CCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20027247 MCKFYODITUQQNK-FXAWDEMLSA-N 389.459 2.449 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 824846 XQQFQCNVJHSEHB-UHFFFAOYSA-N 396.468 2.241 50 40 GEGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4196606 MSDIZCZVJCKFAM-UDWIEESQSA-N 388.380 2.454 50 40 GEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1)S(C)(=O)=O 408781446 AJEIDFJNMKCVHK-DEDYPNTBSA-N 389.477 2.174 50 40 GEGB CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 95985760 UDQRHJCHWFZOPD-UHFFFAOYSA-N 382.420 2.071 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 408906597 ICYPEEQVFLTRHI-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CCS(=O)(=O)c1ccccc1C(=O)N/N=c1/sc2ccccc2n1C 103893526 ZSWKHOJAOSEBLL-HTXNQAPBSA-N 375.475 2.279 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5840577 BFXQXVKJOBQUEX-OBQMCUGOSA-N 386.448 2.033 50 40 GEGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 4086391 MZJXRXRLUYGKPF-LSHDLFTRSA-N 379.376 2.265 50 40 GEGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccccc1O 408923348 WEMFSFPYYHAHPJ-HMMYKYKNSA-N 389.477 2.315 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 5745535 MVCXBYYFUOQTDM-DJKKODMXSA-N 387.348 2.034 50 40 GEGB O=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890153 GJBVQKDFWBLSPO-QGOAFFKASA-N 377.491 2.299 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 15018679 HLVWCVJASRWGPT-VXLYETTFSA-N 392.799 2.291 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 19953660 WTPGGRSVJMSUON-HMHKGCENSA-N 393.440 2.139 50 40 GEGB CCOC(=O)C(=N/Nc1cccc(C(F)(F)F)c1)/C(N)=C(/C#N)C(=O)OCC 104278283 CVDDQGLJBWQSBL-PPZDZUQXSA-N 398.341 2.336 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(F)cc1 408780500 ZWKCHHAXGMGXRO-VXLYETTFSA-N 383.832 2.395 50 40 GEGB O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 2366345 LWVBHAISALUGHW-AWEZNQCLSA-N 377.322 2.272 50 40 GEGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccccc1-n1cccc1 8104627 PKXWKGQJGVCOPN-UHFFFAOYSA-N 377.372 2.379 50 40 GEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1OC 35352672 NFJYAGJUDAHPFM-GRSHGNNSSA-N 386.364 2.334 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 21770149 RTTWSECDRUWRMS-UHFFFAOYSA-N 392.433 2.462 50 40 GEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1O 59334685 TUSSAZOMNGPWSU-YHYXMXQVSA-N 386.189 2.391 50 40 GEGB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1cccnc1 27634643 SKYDOEJIGMHMDM-CONPEVPGSA-N 398.507 2.200 50 40 GEGB CCn1c(NNC(=O)c2cc([N+](=O)[O-])ccc2OC)nc2ccccc2c1=O 11161020 DHAOXUIZIAORTO-UHFFFAOYSA-N 383.364 2.090 50 40 GEGB COc1cc(/C=N\NC(=O)c2cncc(Br)c2)cc(OC)c1O 31892843 FVYNHLPGGVOCGV-FXBPXSCXSA-N 380.198 2.331 50 40 GEGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408681554 FOIYSFUZBVDSLX-DZDPUUJWSA-N 381.182 2.104 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccccc1F 408969707 SGKCYOXSBCNRJI-BRJLIKDPSA-N 393.422 2.395 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc(F)c1 408616716 ZZBAITUPWVPIIU-LBPRGKRZSA-N 375.787 2.293 50 40 GEGB O=C(CNC1CCCCC1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409376744 ARIHQERKPCSIPA-QGMBQPNBSA-N 399.245 2.435 50 40 GEGB Cc1ccc(C(=O)N/N=C\c2cc(I)ccc2O)cn1 12362748 CDXVVBRBXKORJR-IUXPMGMMSA-N 381.173 2.464 50 40 GEGB COc1cccc(C(=O)NNC(=O)c2cccc(I)c2)c1 722487 BNJMFMHLJSVMDZ-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB COc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC 5024893 YFSFTPRYSCYXLC-CABCVRRESA-N 399.472 2.143 50 40 GEGB COc1ccc(C(=O)NN[C@@H]2C3=C(CCCC3)C(=O)N2C[C@H]2CCCO2)cc1 4600173 HGVQVILWIYQBIQ-APWZRJJASA-N 385.464 2.148 50 40 GEGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c(O)c1 15938495 LNPSZOXTRFCZMQ-IBDRQXQLSA-N 394.475 2.218 50 40 GEGB Nc1ccccc1C(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 32116980 XJCFTYVTHHAAJH-IDUWFGFVSA-N 379.170 2.409 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 2789423 BFXQXVKJOBQUEX-QISBLDNZSA-N 386.448 2.033 50 40 GEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cccc(O)c1 2691842 LKDBNPMWJIOYCV-DJKKODMXSA-N 376.210 2.035 50 40 GEGB O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccc(NC(=O)C2CC2)c1 10367918 OEZBJKYNCSWICO-UHFFFAOYSA-N 384.411 2.247 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccco2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409051508 CWVOSQNWYRGUBU-FBHDLOMBSA-N 381.779 2.423 50 40 GEGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 2409118 LEUIOKSTHHVYNQ-AWQFTUOYSA-N 382.428 2.243 50 40 GEGB CCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 2432729 SHVKAIUQNRTGLR-QGZVFWFLSA-N 397.431 2.421 50 40 GEGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1Cl 8215807 JHIFNUAQXLWISG-UHFFFAOYSA-N 377.187 2.305 50 40 GEGB Cc1c(C(=O)N/N=C\c2cccnc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409059766 OCVJWGFFQJDSSD-KSEXSDGBSA-N 392.806 2.225 50 40 GEGB CN(CC(=O)N/N=C\c1ccccn1)S(=O)(=O)c1ccc2ccccc2c1 16187521 YRUBEROJKXFOMD-BKUYFWCQSA-N 382.445 2.006 50 40 GEGB COc1ccc(N2C(=O)N=C(O)/C(=C(/C)NNC(=O)c3ccccc3)C2=O)cc1 9012889 XBJWMPPRAFWGGZ-FOWTUZBSSA-N 394.387 2.327 50 40 GEGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNc1nc2ccccc2s1 12973656 BZLQUUAVULFQPL-GFCCVEGCSA-N 395.444 2.195 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)cc1C 409061370 WNRBVVUJROVCJU-MSXFZWOLSA-N 386.415 2.188 50 40 GEGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O 869533 ZRZFBFHHKHEBAE-UHFFFAOYSA-N 387.373 2.077 50 40 GEGB Cc1ccc(C(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1 8929742 NUDMAOXFQYIIRM-UHFFFAOYSA-N 386.379 2.101 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCCN1CCOCC1 20175934 UJFZHCMDKRFPAG-RCCKNPSSSA-N 387.436 2.153 50 40 GEGB NCCCNCCSSC/C=C/CSSCCNCCCN 5501740 AHJBLLRYTZBWJE-OWOJBTEDSA-N 384.706 2.182 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 23358608 CLSNHSAIVODFEU-HYARGMPZSA-N 381.432 2.069 50 40 GEGB O=C(CCc1ccccc1O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 33409461 KFBPHDJMIHWTNI-STZFKDTASA-N 398.419 2.220 50 40 GEGB O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Br 59435825 ADLAARPJCJLNQC-GIJQJNRQSA-N 390.193 2.236 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408775852 KLVCFHSYPLAFLS-YBFXNURJSA-N 395.868 2.265 50 40 GEGB CCCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1C(C)C 1364268 BXAINQQLJIHJPO-UHFFFAOYSA-N 391.497 2.373 50 40 GEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccccc1F 23109252 UNGLSIKIRWWZSS-UHFFFAOYSA-N 383.354 2.250 50 40 GEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2c(F)cccc2Cl)cc1 223160629 VCJALPDBHORJMK-UKWGHVSLSA-N 377.759 2.355 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)CCc2ccc(OC)c(OC)c2)c1 8379767 RTSXMEXBEWUSKC-UHFFFAOYSA-N 388.420 2.115 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccccc1F 408971609 KBXCCWSICXYATO-DHRITJCHSA-N 393.422 2.395 50 40 GEGB C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(O)cc1 19682650 LOKXZGGQJSXCHV-PTGBLXJZSA-N 380.492 2.359 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 8042734 WUPMKBKHKJDXJN-YBFXNURJSA-N 395.868 2.119 50 40 GEGB O=C(N/N=C/c1ccccc1O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 4359437 FHJLRXUUTVHMSH-DDLUMYACSA-N 382.376 2.055 50 40 GEGB Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1C 7939974 DJRASBYRZFWOJW-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB O=C(CCC(=O)N1CCCCC1)NNC(=O)c1ccc(Br)cc1 4700122 FKWRENKIVFUWGL-UHFFFAOYSA-N 382.258 2.003 50 40 GEGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Cl)c1OCC(=O)O 409380574 NTHGZYSTXHGQSQ-ZVBGSRNCSA-N 397.859 2.184 50 40 GEGB COc1cccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 4103533 UBLKAZBJUCENGO-AEFFLSMTSA-N 375.432 2.059 50 40 GEGB O=C(N/N=C/c1ccccc1O)C1CCN(C(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC1 104213935 OJZSHKAQRAXTEN-FIKLYDENSA-N 398.532 2.393 50 40 GEGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)c1 4519931 ZAGVBXUGNWRCQC-UHFFFAOYSA-N 397.497 2.296 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OC 408764520 XGFNGFZUYKTVOW-KPKJPENVSA-N 381.226 2.232 50 40 GEGB CN(CC(=O)N/N=C\c1cccc(O)c1)S(=O)(=O)c1ccc2ccccc2c1 35104891 VAJXRQPBTVODLK-BKUYFWCQSA-N 397.456 2.316 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1OC 7869804 ZSFQCYGCLSJLAB-OEAKJJBVSA-N 397.431 2.035 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OC)c3O)CC2=O)cc1 409151312 GAVITOKZSMVRFL-YSUUHWHMSA-N 381.432 2.466 50 40 GEGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 7428931 OEJVDLUQILKDGS-QGZVFWFLSA-N 390.461 2.070 50 40 GEGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575422999 NHCPXQWMONBNPX-HZPDHXFCSA-N 391.942 2.417 50 40 GEGB CCn1nc(C(=O)NNC(=O)c2cccc3ncccc23)c2ccccc2c1=O 12924024 RDQNLJWXIGWSLC-UHFFFAOYSA-N 387.399 2.039 50 40 GEGB C#CCOc1ccc(OC)cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1 409366826 YXCOCSXEXZNKQA-HMAPJEAMSA-N 382.416 2.417 50 40 GEGB COc1cc2ccccc2cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 3371682 CPUHQVGMOYWKCP-UHFFFAOYSA-N 378.384 2.466 50 40 GEGB CC(=O)Nc1ccc(SCC(=O)NNC(=O)c2cc(Cl)cn2C)cc1 16272135 FSVXHZFFXOPYPP-UHFFFAOYSA-N 380.857 2.190 50 40 GEGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)c1cccc([N+](=O)[O-])c1 101283309 JODRWLUIXRVPHK-FYJGNVAPSA-N 384.392 2.416 50 40 GEGB CCOC(=O)C(=N\Nc1cccc(C(F)(F)F)c1)/C(N)=C(\C#N)C(=O)OCC 104278293 CVDDQGLJBWQSBL-QEPAFVDNSA-N 398.341 2.336 50 40 GEGB N#C/C(=C/c1cc([N+](=O)[O-])c(O)cc1O)C(=O)N1CCN(c2ccccc2)CC1 408848689 SIFNRMBPHOVBJV-GDNBJRDFSA-N 394.387 2.262 50 40 GEGB C[C@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 408921134 DWXQSZPZXUEJFQ-NPQOUYBPSA-N 388.493 2.057 50 40 GEGB CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 18193478 SLIYPHZXRASQRK-UHFFFAOYSA-N 386.364 2.120 50 40 GEGB CCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20027248 MCKFYODITUQQNK-PXNSSMCTSA-N 389.459 2.449 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 5514092 XKILTCJGIUSSQC-UFWORHAWSA-N 375.768 2.166 50 40 GEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30578651 XKCMHESYGLFMND-CQSZACIVSA-N 394.431 2.003 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 8114343 NCPXOILMYBWWGR-HYLGSWLWSA-N 385.395 2.346 50 40 GEGB O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)CSc1ccccc1F 15466113 DPDCRNBRISGURA-UHFFFAOYSA-N 395.843 2.149 50 40 GEGB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)c(C)c1 9359873 UHUQDDYTTZIIMV-LFIBNONCSA-N 392.415 2.013 50 40 GEGB COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408615086 LQYXQZPKSGKWIO-INIZCTEOSA-N 381.432 2.126 50 40 GEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2ccccn2c1=O 2417745 BPXOVJQLJCRATO-ACCUITESSA-N 376.372 2.148 50 40 GEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1Br 4657100 UZAVMGAJMBSCOA-NEPJUHHUSA-N 383.242 2.410 50 40 GEGB C/C(=N/NC(=O)CCC(=O)N/N=C(\C)c1ccc(O)cc1)c1ccc(O)cc1 4662606 QHADMBQSGJHJBN-VOKWCDJLSA-N 382.420 2.259 50 40 GEGB O=C(COc1ccccc1Cl)NNS(=O)(=O)c1ccc(F)c(F)c1 7410608 LEFIKOZWGARATL-UHFFFAOYSA-N 376.768 2.007 50 40 GEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(O)c2)C(C)C)cc1 408756549 WBSRGCFAPKEHPQ-BAOGCXAUSA-N 389.477 2.154 50 40 GEGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 58880909 CJLMHDYYLQPRJC-WSDLNYQXSA-N 397.431 2.451 50 40 GEGB CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 1837696 KSJUTEMSBYHCJD-UHFFFAOYSA-N 398.945 2.226 50 40 GEGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN)cc1 95117352 ZUJFFDUKELHSAS-AQTBWJFISA-N 397.435 2.202 50 40 GEGB Cc1nnc(SCC(=O)NNC(=O)c2ccco2)n1-c1cccc(Cl)c1 924703 IUOKLGBYPIWMKQ-UHFFFAOYSA-N 391.840 2.375 50 40 GEGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2C(=O)O)c1 4591748 CDBFARVJOGEXPO-UHFFFAOYSA-N 383.404 2.182 50 40 GEGB C=CCc1cc(/C=N\NC(=O)c2cccc(O)c2)cc(OC)c1OCC(=O)O 408818631 PVRBFHABGAQHBK-NHDPSOOVSA-N 384.388 2.357 50 40 GEGB O=C(NN[C@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 23343375 XATSADGHFXTNJU-MAUKXSAKSA-N 396.403 2.163 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1[N+](=O)[O-] 8075268 GPZMMBRYHUXXNJ-UHFFFAOYSA-N 388.405 2.018 50 40 GEGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cncn1-c1ccccc1 9115992 CHRHLRVKQVMSDF-UHFFFAOYSA-N 376.825 2.149 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cccc(Cl)c1 408768942 MMXFGXKODRNWPF-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C 17079606 KMFLMVMAYVEJSA-PDGQHHTCSA-N 390.415 2.032 50 40 GEGB O=C(NNC(=O)c1c(F)cccc1F)c1ccc(=O)n(Cc2ccccc2)c1 23109461 QBXZDFJSPZFCSB-UHFFFAOYSA-N 383.354 2.250 50 40 GEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)c(C)c1 6606996 OSXNVLWIKWNEKE-RGVLZGJSSA-N 389.477 2.088 50 40 GEGB CN1c2ccccc2C2=C([C@@H](c3ccc(O)cc3)C(C#N)=C(N)O2)S1(=O)=O 57510503 GBEHCFZJUNVQBH-INIZCTEOSA-N 381.413 2.348 50 40 GEGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-] 5339786 ZZDANSXEMKHBNR-WJDWOHSUSA-N 379.376 2.444 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 9885379 KAYOVMXTCCKFHN-SFHVURJKSA-N 395.459 2.203 50 40 GEGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 35074623 KNDLXBWWJPXZSS-JAIQZWGSSA-N 386.433 2.098 50 40 GEGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccccc2N)cc1OC 100523083 SXOOITSLMOLMJI-ZVHZXABRSA-N 398.463 2.141 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 3426211 DBDBVRPVAIVSBX-UHFFFAOYSA-N 384.395 2.461 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl 60512560 YUNDQWUYTIDWCR-LLVKDONJSA-N 375.787 2.293 50 40 GEGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NC(C)C 408784247 UXZPEEFMSHKAFZ-SDQBBNPISA-N 381.226 2.432 50 40 GEGB COc1cc(/C=N\NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1O 32701834 JHWICOBYMIAWHU-JWGURIENSA-N 382.464 2.063 50 40 GEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3116059 YNJIEAKLAHUUAE-QGMBQPNBSA-N 388.336 2.355 50 40 GEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1cccc(F)c1 23109255 KVVXPSFYCGCPRH-UHFFFAOYSA-N 383.354 2.250 50 40 GEGB O=C(NNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccn1 36397661 JHGXGDVEAQNVOT-UHFFFAOYSA-N 390.378 2.272 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cccc(C(F)(F)F)c1 408769087 NNYCYCYQAFPKFJ-DJKKODMXSA-N 389.355 2.215 50 40 GEGB COc1cccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)c1OC 943345 PWOGGMZDTNLINU-CIAFOILYSA-N 380.404 2.023 50 40 GEGB CC/C(NNC(=O)c1ccccc1)=C1/C(=O)N=C(O)N(Cc2ccccc2)C1=O 17028080 PWUYLEWOTRTGAR-WUKNDPDISA-N 392.415 2.068 50 40 GEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)c1C 12908047 FGCKFMHRUDRORS-AWEZNQCLSA-N 379.416 2.373 50 40 GEGB O=C(N/N=C/c1ccc(I)o1)[C@H]1COc2ccccc2O1 1092633 OAPWKVRPPFXPFI-DYPRAHPUSA-N 398.156 2.174 50 40 GEGB CCOC(=O)CN1CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2C1 20348001 RVRWICSFJMIZPD-CQSZACIVSA-N 375.425 2.404 50 40 GEGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 59232804 QITVSDIMBCOSLJ-NTEUORMPSA-N 381.388 2.114 50 40 GEGB COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)[C@H](Br)C2=O 1384205 RBDPNKDLDKESPX-UWVGGRQHSA-N 382.132 2.383 50 40 GEGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c(C)c1 12865819 HGGWMBYRMVUINR-UHFFFAOYSA-N 389.477 2.065 50 40 GEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C)([C@@H](O)C1)C3(C)C)C[C@@H]2O 13554693 KTHKFBXSXFSTAX-LGLFMTEKSA-N 392.540 2.288 50 40 GEGB CCc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1cccs1 5267739 SMNYGNVLSNIILN-UHFFFAOYSA-N 384.461 2.471 50 40 GEGB O=C(Cn1nnc2ccccc21)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 6455439 NSKTYSJWZPKEKW-UHFFFAOYSA-N 389.202 2.211 50 40 GEGB Cc1ccc(OCC(=O)N/N=C/c2ccn(CC(F)(F)F)n2)c([N+](=O)[O-])c1 252509329 YLEMVAAGUMZHMY-FBCYGCLPSA-N 385.302 2.191 50 40 GEGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N/C(S)=N\NC(=O)c1cccs1 1858161 LLOZYOSVLHQWPO-VOTSOKGWSA-N 376.419 2.417 50 40 GEGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20060368 PFFRQJMTMZAUNF-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1 409364245 NSGFLLFBLRQNJB-UFFVCSGVSA-N 375.812 2.454 50 40 GEGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6889176 ITJSGZZCMWNEKC-LBPRGKRZSA-N 384.344 2.325 50 40 GEGB N#C/C(=C/c1cn(CCC(=O)O)nc1-c1ccc(Br)cc1)C(N)=O 3273806 QPZUWWDORCRYIS-XFFZJAGNSA-N 389.209 2.180 50 40 GEGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(I)o1 711113 KTZSDEOVXMUOGD-CAOOACKPSA-N 395.156 2.285 50 40 GEGB O=C(N/N=C/C=C/c1ccccc1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1598014 WMJCKEYQBWMJLW-FLGOTCTISA-N 398.335 2.146 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1cc(C)cc(C)c1 12869750 QRFFOJXAZILFLG-UHFFFAOYSA-N 389.839 2.156 50 40 GEGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 14116045 WGUOCVQVDKTYAN-INIZCTEOSA-N 385.395 2.095 50 40 GEGB CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NN)cc2c1 223469941 VFTGVQMLLXJYOF-UHFFFAOYSA-N 375.475 2.471 50 40 GEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1C 408616067 VJZFWGWAJIOABP-ZDUSSCGKSA-N 387.386 2.396 50 40 GEGB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)NN(c1ccccc1)c1ccccc1 107620157 LFTUPOFQNYUTGU-SFHVURJKSA-N 398.463 2.482 50 40 GEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2=O)c1 12523438 XMFDZYXSKRUONM-KRWDZBQOSA-N 394.475 2.129 50 40 GEGB Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@@H](c1ccco1)C(C#N)=C(N)O2 2358571 HRGIFYXDBDLDOM-QGZVFWFLSA-N 377.404 2.255 50 40 GEGB CC1=C(C(=O)OCCCBr)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 4083934 JOBIZEPBSRBTAF-CQSZACIVSA-N 397.225 2.371 50 40 GEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3O)s2)c1 1958265 XCBAXGFHLFEHRB-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 10330193 XQICFVCVIULYAH-OAHLLOKOSA-N 381.432 2.208 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59516299 VGXJVXXYIOJYGS-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)c(C)c1 58912206 OLDHCSWIOFEIPP-QVHMZZSFSA-N 396.491 2.456 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 5929132 PHTXRWQRUNFBPL-UHFFFAOYSA-N 393.237 2.363 50 40 GEGB Cc1ccc(C)n1-c1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1 40128076 VXXVFPFFKGKFLE-UHFFFAOYSA-N 399.432 2.463 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C)c1 17079474 ASDLHMFHTFFBIH-GJZGRUSLSA-N 389.452 2.061 50 40 GEGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3009281 QETGQECPGTYAJZ-ODCIPOBUSA-N 394.214 2.489 50 40 GEGB O=C(N/N=C/c1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890149 SYOGSBZWYHQGCS-KGENOOAVSA-N 389.452 2.377 50 40 GEGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914440 GTGSMQNXRWNVFU-LRXPYSHVSA-N 375.812 2.345 50 40 GEGB CCOc1cc2c(cc1/C=N\NC(=O)CSc1nc(C)cc(C)n1)OCO2 409108763 YWBVZBVUPRPPBW-UWVJOHFNSA-N 388.449 2.463 50 40 GEGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 38616529 FWPCRQVAVKKEFX-JAIQZWGSSA-N 382.332 2.214 50 40 GEGB CCCN(CCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O 5784941 KKPMREIERHDVFX-QGZVFWFLSA-N 391.472 2.033 50 40 GEGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(Br)cc1 4079684 LJKFMZLZAKJQCG-KEBDBYFISA-N 390.237 2.094 50 40 GEGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)cc(Br)c1OC 1066696 CARXQBXIUQYXMO-QGMBQPNBSA-N 395.257 2.430 50 40 GEGB Cc1n[nH]cc1C(=O)NC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 4002586 KQNXVAQBLUZIBN-UHFFFAOYSA-N 376.726 2.276 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5567945 IMKMKPXGHCFDAO-MNOVXSKESA-N 389.235 2.411 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 5697886 HZNXVAJIJSQMOZ-POPZOMSYSA-N 394.855 2.310 50 40 GEGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCC3)C1 30578095 VPKPWLLKJDRACS-ZDUSSCGKSA-N 379.482 2.256 50 40 GEGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@@H]1c1ccc(F)cc1 6495444 UOWWHYRWMPUBAG-LSDHHAIUSA-N 389.452 2.193 50 40 GEGB COc1ccc(SCC(=O)NNC(=O)CN2CCCc3ccccc32)cc1 7220042 LKLHBSBUQQHYOQ-UHFFFAOYSA-N 385.489 2.388 50 40 GEGB CCCOc1ccccc1N1C(=O)C[C@H](NNC(=O)c2ccc(C)cc2)C1=O 102921858 VBLOGQTWEUZTGS-INIZCTEOSA-N 381.432 2.350 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)ccc21 14258887 HJWMZZDXRMNIRK-CWTRNNRKSA-N 394.431 2.354 50 40 GEGB COc1cc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)c(O)c([N+](=O)[O-])c1 6180449 LZLPSXFLQSWUCC-RGVLZGJSSA-N 395.375 2.318 50 40 GEGB Br[C@H]1C[C@H]2C[C@@H](C[C@H](Br)C23OCCO3)C12OCCO2 307187331 OSPRNWJVZBLALK-VLEAKVRGSA-N 398.091 2.430 50 40 GEGB COc1ccc(-c2c(C)oc3cc(OCC(=O)NN)ccc3c2=O)cc1OC 2411724 XVSWWVVFCYLFCA-UHFFFAOYSA-N 384.388 2.154 50 40 GEGB biogenic CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 3360382 KWBQFTBTUAETRD-FOWTUZBSSA-N 398.463 2.361 50 40 GEGB COc1ccc2oc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c(C)c2c1 4524722 GBXHWBZCVNHXHW-UHFFFAOYSA-N 382.372 2.368 50 40 GEGB COc1cccc(/C(C)=N/NC(=O)CC(=O)N/N=C(\C)c2cccc(OC)c2)c1 4903945 OVLNADJRNOQCAL-HOFJZWJUSA-N 396.447 2.475 50 40 GEGB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccc(N(C)C)c1 12555164 WLDTVZVVQIVIBV-GOSISDBHSA-N 388.512 2.235 50 40 GEGB CC/C(NNC(=O)c1ccncc1)=C1/C(=O)N(C2CCCCC2)C(=O)N=C1O 17028141 WDGDRLHYGXGQJW-PFONDFGASA-N 385.424 2.232 50 40 GEGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1I 847914 ILFDUVDIRYUFCZ-CAOOACKPSA-N 381.173 2.459 50 40 GEGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1O 408921976 NDFKCOAFSCKJIZ-ITRAFESCSA-N 375.450 2.087 50 40 GEGB COc1ccccc1NCC(=O)N/N=C1\C(=O)N(CCCC#N)c2ccccc21 6177061 LVFYCLDEUFUQBY-QQTULTPQSA-N 391.431 2.278 50 40 GEGB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccco1 6787470 FDMBLGKLLHVDJX-UHFFFAOYSA-N 379.372 2.263 50 40 GEGB O=C(O)CCOCCOCCOCCOCCSSc1ccccn1 114820657 YOJQJVOLXIGESQ-UHFFFAOYSA-N 391.511 2.363 50 40 GEGB COc1ccnc(NNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)n1 40153979 YOZMYENAIFAMMZ-HNNXBMFYSA-N 383.452 2.098 50 40 GEGB COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 1633102 CFUGHBUMEYSBNF-DLBZAZTESA-N 387.823 2.489 50 40 GEGB C[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1 8298503 LUZCIXHYHVKNFA-WEIGREKKSA-N 376.478 2.381 50 40 GEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 12755032 QJAFISZTCPPUFD-CYBMUJFWSA-N 388.420 2.331 50 40 GEGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 5739105 WDICAZJAQROWAO-DAFNUICNSA-N 392.459 2.013 50 40 GEGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CC2(C)OCCO2)o1 408726463 BOCTYVBTYMZFNY-YBFXNURJSA-N 389.364 2.467 50 40 GEGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)Cn1nnc(-c3ccccc3)n1)C(O)=N2 21273904 DUVUALUXSPEURJ-UHFFFAOYSA-N 375.392 2.079 50 40 GEGB N#CC(C#N)=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409384157 AHIIXXZRQBNURX-UHFFFAOYSA-N 376.210 2.117 50 40 GEGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)CN3CCOCC3)c2c1 15224899 HWPUQEWAYHHWSV-HMAPJEAMSA-N 385.464 2.420 50 40 GEGB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1cccnc1 27634638 SKYDOEJIGMHMDM-XCLLZBPDSA-N 398.507 2.200 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(OC)c3)C2=O)cc1 2218471 MYFHPNXAPMKRES-GOSISDBHSA-N 397.431 2.051 50 40 GEGB COc1c(O)ccc(/C=N/NC(=O)c2cncc(Br)c2)c1[N+](=O)[O-] 1445344 LLBRUOAZUKIYKI-UBKPWBPPSA-N 395.169 2.230 50 40 GEGB COc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)c(Br)c1 1444609 PXPALKOIILZUQJ-QGMBQPNBSA-N 395.209 2.398 50 40 GEGB COc1cc(N/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc(OC)c1 9422651 PKKMWCNCGBYYPS-MXDDHBLUSA-N 397.431 2.387 50 40 GEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1Cl 408783604 NLSDNSJKXJQSAG-VXLYETTFSA-N 395.868 2.270 50 40 GEGB Cn1/c(=N\NC(=O)COc2ccc3c(c2)CCC(=O)N3)sc2ccccc21 104678246 SWWCPXSLCWDXNW-ZBJSNUHESA-N 382.445 2.135 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 12604844 BRMFMOKMWJUJHP-UHFFFAOYSA-N 391.449 2.495 50 40 GEGB CC(C)COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13265097 DFNDRVBSQBDLRF-UHFFFAOYSA-N 392.433 2.043 50 40 GEGB COc1ccc(CC(=O)N/N=C/[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1OC 6782754 WSCLGUVSDFTRBT-KOWBDXASSA-N 394.431 2.387 50 40 GEGB N#Cc1ccccc1OCC(=O)NNC(=O)CCC(=O)c1ccc(Cl)s1 7782837 MMARZJPQONJQRC-UHFFFAOYSA-N 391.836 2.462 50 40 GEGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccncc1 408999464 CYJNDCQUJMJBAF-BYWZACNXSA-N 379.420 2.370 50 40 GEGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccccc1-n1cccc1 7889880 GODQMLFWRGGFAA-UHFFFAOYSA-N 375.344 2.472 50 40 GEGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)Cc2ccccc2)cc1 59443946 NYHPRRVMABYFJG-UHFFFAOYSA-N 389.477 2.398 50 40 GEGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 408531548 OLJKDPOITJFETP-LPYMAVHISA-N 397.435 2.302 50 40 GEGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 409347285 NPBKNVAMVQJNBT-XLKWYTADSA-N 379.416 2.388 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cnn4c(C)cc(C)nc34)ccc21 32034324 UJDJRBHYRYKFDA-UHFFFAOYSA-N 391.435 2.099 50 40 GEGB Br[C@H]1C[C@@H]2[C@H](C[C@H](Br)C23OCCO3)C12OCCO2 4473229 KTSSPGNMSGIYQK-JXUBOQSCSA-N 384.064 2.039 50 40 GEGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)c1 59501682 JHUFZSNBTABMPC-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 19951305 DNGZFMHIJKOQLS-DEDYPNTBSA-N 384.417 2.020 50 40 GEGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(N)=O 101738820 XWJVSFDOBURYEB-JJFYIABZSA-N 381.388 2.460 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(Br)cc1O 1103890 MHRXDPILJSTEMI-JVOXIWMLSA-N 381.226 2.365 50 40 GEGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 7428728 TUKIIAQANKQYSC-UHFFFAOYSA-N 389.216 2.345 50 40 GEGB COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(=O)OC)cc2)C1=O 9061128 LGDYJRLEAORABL-ATVHPVEESA-N 383.404 2.014 50 40 GEGB O=C(O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 59249461 OCOZSPKRUJVGBI-QGMBQPNBSA-N 377.740 2.476 50 40 GEGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)NC[C@H]1CCCO1 58883083 OCRUMOLZASPWHV-HRGKPLJHSA-N 399.422 2.264 50 40 GEGB O=C(NNc1nc(-c2ccncc2)no1)c1ccc(OC[C@@H]2CCCO2)cc1 58265431 PLOOGFICVFJEOO-INIZCTEOSA-N 381.392 2.446 50 40 GEGB Cc1cc(I)cc(/C=N/NC(=O)c2cccnc2)c1O 4702580 DJRAEEWVAMETNZ-CAOOACKPSA-N 381.173 2.464 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1sccc1C)S(C)(=O)=O 20212355 RHTRZFUAUNTBCA-VCHYOVAHSA-N 395.506 2.290 50 40 GEGB O=C(O)/C=C\C(=O)N(c1ccccc1)N(C(=O)/C=C/C(=O)O)c1ccccc1 31623598 SFSJZZQISLEFKX-HEEUSZRZSA-N 380.356 2.249 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 211686706 MAOCCEAEMPZLBP-NVMNQCDNSA-N 376.756 2.346 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5697888 XMTLZMQPAXCEKF-XBFCOCLRSA-N 382.844 2.454 50 40 GEGB Cc1ccccc1Cn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O 10104435 OOQOAIUMRPDFCY-UHFFFAOYSA-N 399.882 2.362 50 40 GEGB IC[C@@H]1CSC[C@@H](CI)O1 4722378 YWQVHJJYYCHWNQ-PHDIDXHHSA-N 384.020 2.357 50 40 GEGB Cc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S 34236583 XTYAAXVBWJANMC-RAXLEYEMSA-N 396.428 2.107 50 40 GEGB C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1cccc(N)c1)c1cccc(N)c1 5620826 ZEVTUXMXTXVGGA-RNIAWFEPSA-N 380.452 2.012 50 40 GEGB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 5243955 TZRPUHROQDEDMU-UHFFFAOYSA-N 379.372 2.268 50 40 GEGB COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2CCBr)c1 4629537 YPJPQLQHIAGUCY-AWEZNQCLSA-N 384.226 2.383 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1Br 664097 OFYCGOPNVKDMDG-ZDUSSCGKSA-N 375.178 2.113 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 8358721 JLPLVVLGRNFCCP-INIZCTEOSA-N 381.432 2.208 50 40 GEGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408681560 FOIYSFUZBVDSLX-PTEOKISQSA-N 381.182 2.104 50 40 GEGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1ccc(Br)cc1 8428669 JELXGUBMERIPNL-UHFFFAOYSA-N 391.221 2.224 50 40 GEGB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)N/N=C/c1ccccc1 32603929 IWSUUKNUGSOYAW-OEAKJJBVSA-N 394.475 2.154 50 40 GEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)CNc2ccccc2)c1[N+](=O)[O-] 861467 TUPKEYQMNZWQPF-KEBDBYFISA-N 386.364 2.091 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1OC 7869817 AVUNSXAZSWSQFS-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB CC(=O)N[C@@H](C(=O)NNC(=O)CCCOc1ccc(Cl)cc1C)C(C)C 12755250 ZXNLOVYWHAZCPQ-QGZVFWFLSA-N 383.876 2.116 50 40 GEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CNC(=O)c2ccccc2)c1 12741679 AIOIXBNPVAYHGI-UHFFFAOYSA-N 383.448 2.075 50 40 GEGB COc1cc(/C=N/NC(=O)CSc2ncccn2)cc(Br)c1O 5675356 ZSFNRMHYAAZRFJ-CNHKJKLMSA-N 397.254 2.196 50 40 GEGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1OC 4879104 YNJKJPAZYURLIY-KEBDBYFISA-N 388.376 2.183 50 40 GEGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)c1 408968971 DUKOJDCURKZGRZ-DOUQRPAJSA-N 382.464 2.148 50 40 GEGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 83312256 YBDQXWYILNMMMI-UNOMPAQXSA-N 399.363 2.104 50 40 GEGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 2630782 SLTGFSPEFRDTHL-UHFFFAOYSA-N 389.477 2.100 50 40 GEGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 408721220 MQVDKZXAOUAXHX-XMOVILSBSA-N 385.420 2.040 50 40 GEGB Cc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408787364 YPQHJMSPLWVZGO-RIMPEIONSA-N 395.459 2.433 50 40 GEGB COc1ccc(O[C@@H](C)C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 36352106 VMSYXTJPLBIWPU-VSMYLPJWSA-N 389.364 2.235 50 40 GEGB COC(=O)COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 636891 MTAWUJSXZUFTQN-KEBDBYFISA-N 376.796 2.421 50 40 GEGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1nc2ccccc2n1 994086 FTPKHOKGDUYRHD-GIJQJNRQSA-N 388.225 2.353 50 40 GEGB C=CCc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc(OC)c1OC 12553959 SWUSXGXMQNNGPT-UHFFFAOYSA-N 394.431 2.243 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 6884593 YYGHRVOZKHOGLY-VXGBXAGGSA-N 395.843 2.097 50 40 GEGB COC(=O)[C@@H](Br)[C@@H](CCCN1C(=O)c2ccccc2C1=O)OC 1708935 MNZQZIFGDCWBCL-OLZOCXBDSA-N 384.226 2.014 50 40 GEGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H](NC(N)=O)[C@H](C)CC)cc2C1 105699948 CZDFVPHOCAWELF-UEKVPHQBSA-N 380.514 2.107 50 40 GEGB COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCc1ccc(F)cc1 408606934 BDVYQFKXZONWLX-SSDVNMTOSA-N 385.395 2.142 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1Cl 7386344 COUUMGWBOQJCPM-UHFFFAOYSA-N 382.825 2.125 50 40 GEGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccco3)c(C)c(C#N)c2=O)cc1 9094776 OUQBXIDPOBQHCJ-UUYOSTAYSA-N 391.387 2.168 50 40 GEGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc(Cl)cc1 33707606 KGXPIFACRAEWPD-MOSHPQCFSA-N 393.896 2.294 50 40 GEGB Cc1cc(C)n(CC(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)n1 12854352 OVPNSRIUJASOJG-UHFFFAOYSA-N 378.860 2.468 50 40 GEGB CC(C)n1ncc2cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cnc21 25955393 KKMSNPGYGNHWOA-UHFFFAOYSA-N 376.420 2.497 50 40 GEGB CC1=C(C#N)C(=O)N(CCCN2CCOCC2)C(=O)/C1=C/Nc1ccccc1F 101481479 MCYUHAKSFSHMHF-SAPNQHFASA-N 398.438 2.053 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 408767952 RKVPOGTZAHXWIL-RGVLZGJSSA-N 393.440 2.059 50 40 GEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1Br 675149 UZAVMGAJMBSCOA-NWDGAFQWSA-N 383.242 2.410 50 40 GEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1ccc(OC)cc1 59490236 GLZKVBOPHQCSEE-CPNJWEJPSA-N 375.450 2.002 50 40 GEGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4678820 PYOSXDXIHJEGEB-QMFLXTPQSA-N 381.432 2.011 50 40 GEGB COc1cc(/C=N/NC(=O)Cc2cc(O)n[nH]2)ccc1OCc1ccccc1 5349984 GJGVPTSQTWCGMG-CIAFOILYSA-N 380.404 2.396 50 40 GEGB Cn1/c(=N\NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2ccccc21 100815933 JYPRZXKUERPIIX-XUTLUUPISA-N 380.429 2.139 50 40 GEGB ClCN(CCl)N1c2nonc2N(N(CCl)CCl)c2nonc21 3151429 YJOYVCWGAOBUOI-UHFFFAOYSA-N 390.018 2.261 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc2ccccc12 20214965 YKTHMAHPOFVMPG-FYJGNVAPSA-N 382.445 2.151 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 40086928 PVZKCPSJJOPXHE-GFCCVEGCSA-N 394.269 2.140 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2Cl)c1C 58914005 CAMLZIKESJIBFR-UUYOSTAYSA-N 390.871 2.350 50 40 GEGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 4721539 IIPQIGLECFYSTQ-WWKAZXLZSA-N 378.388 2.240 50 40 GEGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)Cc1c[nH]c2ccccc12 6787907 CHWQFYXHWKLVRD-UHFFFAOYSA-N 392.415 2.246 50 40 GEGB CCCCCCOc1ccc(C(=O)NNC(=O)c2ccnc3nc(C)nn23)cc1 96012280 ZXFJUSAFDLJGAU-UHFFFAOYSA-N 396.451 2.467 50 40 GEGB Cc1ccc(F)c(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 95939666 PMBRPWYDKRQLHA-UHFFFAOYSA-N 394.447 2.383 50 40 GEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409264294 DHHGFNBWHOKMOU-NSMHLIOHSA-N 396.447 2.069 50 40 GEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Cl)cc1 39986592 XQPZEIVEWQMGPZ-ODLFYWEKSA-N 379.869 2.419 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)Cc3cccs3)C2=O)cc1 100153810 XFUYYHFLODWKSF-INIZCTEOSA-N 387.461 2.032 50 40 GEGB O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 2758700 KRITTZPCFGZKFQ-ZXKDJJQISA-N 396.275 2.242 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)Cc1ccccc1 6584656 YHOLGWLPFFKNKG-YBFXNURJSA-N 379.869 2.252 50 40 GEGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 7098640 GTARBTLFJVMDAQ-SRZZPIQSSA-N 379.376 2.189 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1 7777121 YIDNWBGMXFRJBB-UHFFFAOYSA-N 381.461 2.491 50 40 GEGB O=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)[C@@H]1COc2ccccc2O1 26691877 XAKQIXKJUSGVPW-ZDUSSCGKSA-N 394.836 2.352 50 40 GEGB CCCOc1ccccc1/C=N/NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O 408605132 WZWSDESSSCQLGW-FSJBWODESA-N 396.447 2.114 50 40 GEGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c(OC)c1 408877741 YEUTVRVVRZBSPE-CXUHLZMHSA-N 396.399 2.391 50 40 GEGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1 8811115 SHBNANYEAJDBPK-CIAFOILYSA-N 386.404 2.410 50 40 GEGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)C(C)(C)C)s1 59498824 IMLDBQSUSBFNAT-VCHYOVAHSA-N 375.454 2.224 50 40 GEGB CCNC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1 2792764 QGZYBYDYUINZBK-UHFFFAOYSA-N 382.283 2.496 50 40 GEGB Cc1ccc(C(=O)CCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)s1 10159446 JUSJLKHNXPXZND-UHFFFAOYSA-N 398.444 2.372 50 40 GEGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(Cl)c(Cl)c1 25763950 RYADDLHMHZOAIQ-NGYBGAFCSA-N 395.210 2.002 50 40 GEGB COc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1I 5322443 ATODYAKUVITJPS-VIZOYTHASA-N 384.177 2.095 50 40 GEGB CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 4775504 KUJLDGZYPTWHQS-QFIPXVFZSA-N 390.443 2.213 50 40 GEGB CCOC(=O)COc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC 409199435 CQBXQLKSORBSRP-MTJSOVHGSA-N 386.404 2.410 50 40 GEGB C[C@H]1CC=C2[C@H](C1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)C2(C#N)C#N 20459403 ATGUDXZRTICYID-ZSOFBXJNSA-N 387.443 2.390 50 40 GEGB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CCl)c1 585293470 XTBVRTPEPNIXNK-OAHLLOKOSA-N 395.887 2.405 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C)o3)[C@@H]2C1 4452860 WPVQPXRSHYKSNH-NVXWUHKLSA-N 377.404 2.470 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 10330216 XQICFVCVIULYAH-HNNXBMFYSA-N 381.432 2.208 50 40 GEGB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)OC(C)(C)C 12891013 AEHDLCSUFYOMLR-RUMSDORHSA-N 397.497 2.157 50 40 GEGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)NC[C@@H]1CCCO1 8336448 CZCCVCOEWZUCOX-AWEZNQCLSA-N 385.917 2.482 50 40 GEGB CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cc(OC)cc(OC)c1 6206183 IBULGJVFYWPROK-CIAFOILYSA-N 386.404 2.410 50 40 GEGB CCN1C(=O)/C(=C/C=C2/SCCN2CI)OC1=S 1703106 HLOUTLRQXDZNLL-SNXNNQDSSA-N 396.275 2.317 50 40 GEGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1ncccn1 5205603 IVEQVDVOTCKYAC-QGMBQPNBSA-N 381.255 2.490 50 40 GEGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 12867591 DWHJAIHFGCUGBA-UHFFFAOYSA-N 379.376 2.472 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)C[C@@H](C)NC(=O)c2ccccc2)cc1C 13006986 OKRXMHRCXIFHRB-MRXNPFEDSA-N 383.448 2.038 50 40 GEGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 83311573 YQVRXJWSALJFLD-UNOMPAQXSA-N 399.363 2.104 50 40 GEGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](c2ccncc2)N2CCOCC2)cc1 20057714 NMEXDNPSUUZKBV-MQMHFVAESA-N 395.507 2.451 50 40 GEGB Nc1nnc(CC(=O)N/N=C/c2ccccc2OCCOc2ccccc2)s1 1821709 AGIRWIACRIUACL-FYJGNVAPSA-N 397.460 2.271 50 40 GEGB Cc1ccc(C(=O)NN(C(=O)C(C)C)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 18223211 YHXKVYILVAFMOB-SFHVURJKSA-N 393.443 2.457 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(O)c3)CC2)cc1 409007198 VFKBTHPQYFVFCQ-HYARGMPZSA-N 381.432 2.403 50 40 GEGB CCOc1cc2c(cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-])OCO2 409107777 QKRMTTSKBSDOMY-DJKKODMXSA-N 387.348 2.251 50 40 GEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1OC)S(C)(=O)=O 408777049 UXGNEQINLJWODG-DEDYPNTBSA-N 389.477 2.174 50 40 GEGB CCCCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccco1 4882040 IVDSHBMSHMBRDG-UHFFFAOYSA-N 389.437 2.485 50 40 GEGB CC(C)c1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N 2349275 HVUYNDDPSUNKLB-UFFVCSGVSA-N 390.407 2.273 50 40 GEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 3085681 XJONUZRVYRRANT-CIAFOILYSA-N 385.420 2.364 50 40 GEGB COc1ccc(CC(=O)NNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 15524920 NLKNXEIQQDVCPS-UHFFFAOYSA-N 378.388 2.263 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408609236 QNPJRBVGTIQFAB-WSDLNYQXSA-N 389.839 2.132 50 40 GEGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5577350 KIYSOOSGCKJAFD-BKLFOZTASA-N 388.424 2.359 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)ccc21 14258888 HJWMZZDXRMNIRK-BLVKFPJESA-N 394.431 2.354 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21 408966160 NASZCQCCFLMFEZ-KEBDBYFISA-N 393.359 2.295 50 40 GEGB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/NNC(=O)c1cccc([N+](=O)[O-])c1 4409485 GGFSVVPELTWBAJ-GZTJUZNOSA-N 379.376 2.444 50 40 GEGB Cc1cccc(Cn2c(=O)c3c(nc4n(CCCl)c(C)c(C)n34)n(C)c2=O)c1 10104437 SKEPLMZYWSVFHZ-UHFFFAOYSA-N 399.882 2.362 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 40142923 PRVDUTKQVDSGBH-UHFFFAOYSA-N 381.432 2.459 50 40 GEGB COc1ccccc1/C=N/NC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 6607419 DLRPACFKOJVHAI-RGVLZGJSSA-N 389.477 2.049 50 40 GEGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Br 59333927 CWQGFEVDDYLGSP-GHXNOFRVSA-N 381.226 2.386 50 40 GEGB CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 409387406 IOLQHUAJSUIVSF-LVZFUZTISA-N 389.411 2.190 50 40 GEGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1 4507695 OSZMGRGQOHBIBS-CIAFOILYSA-N 399.428 2.367 50 40 GEGB COc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 16806567 XIJRUOHFMXNEMO-AVIKPIRVSA-N 382.416 2.475 50 40 GEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)O)c2)cc1 409068079 FPMFQUZLWVHZDP-DHDCSXOGSA-N 380.356 2.482 50 40 GEGB Cc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1Cc1ccccc1 2619987 FYDNYWYYYUZODS-UHFFFAOYSA-N 399.451 2.327 50 40 GEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1 408732110 SDOOBVMKYKGUFL-WOJGMQOQSA-N 375.454 2.455 50 40 GEGB C#CCOc1ccc(OC)cc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2 409365131 PZWYBJXOANBSOH-HMAPJEAMSA-N 380.400 2.171 50 40 GEGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)cc1 6935011 CRMYVQNULJZNAO-HYARGMPZSA-N 384.480 2.275 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 3085358 IPEZTCOZZLWBAW-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)CCl)CC3)n2)cc1 48623050 XZRTXBMIUFZYKU-UHFFFAOYSA-N 375.856 2.396 50 40 GEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13629388 USQZGOMPGZJCLQ-OAHLLOKOSA-N 383.448 2.387 50 40 GEGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc([N+](=O)[O-])c1O 40844669 MHBLNGXWAWWTHS-QGMBQPNBSA-N 379.756 2.492 50 40 GEGB Cc1cc(C)nc(NNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)n1 50027148 CTLOPDDJMYZNMY-UHFFFAOYSA-N 379.424 2.076 50 40 GEGB O=S(=O)(c1ccc(/N=N/N2CCOCC2)cc1)N(CCCl)CCCl 1720693 ASYGFSFCGUPYQQ-ISLYRVAYSA-N 395.312 2.486 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@H](c2cc(OC)ccc2OC)CC(=O)N1 4147582 SPTHJTRCLGFRPB-LBPRGKRZSA-N 376.434 2.339 50 40 GEGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 5006513 YCTUNCKZBGDPHN-DMVFFGLYSA-N 385.464 2.040 50 40 GEGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(C)cc2Cl)c2ccccc21 6199213 DWCIOJLDKAXDPL-FXBPSFAMSA-N 385.807 2.302 50 40 GEGB N#CC1=C(S)N[C@@H](c2cccnc2)[C@@](C#N)(C(N)=S)[C@H]1c1cccnc1 20813538 OBBLUHIVXCKYME-MPGHIAIKSA-N 378.486 2.366 50 40 GEGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cccc([N+](=O)[O-])c1 409026472 QHFKAKOYFAHGIH-UHFFFAOYSA-N 382.442 2.187 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102201999 BFXQXVKJOBQUEX-UHIXZJCNSA-N 386.448 2.033 50 40 GEGB COc1ccc(NCC(=O)NNC(=O)c2ccc(Br)cc2F)cc1 12779134 JPECTQMXLOODTB-UHFFFAOYSA-N 396.216 2.470 50 40 GEGB CCCOc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC 4476320 JXAHBGSNWOFMQL-KRWDZBQOSA-N 384.388 2.148 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12849127 POICALIBJJSDCP-SJCJKPOMSA-N 390.823 2.403 50 40 GEGB CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 12810982 GOSHQZBLNBYXFJ-SINXNMPMSA-N 398.415 2.095 50 40 GEGB COC(=O)[C@H](Br)[C@H](CCCN1C(=O)c2ccccc2C1=O)OC 1708936 MNZQZIFGDCWBCL-QWHCGFSZSA-N 384.226 2.014 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3nccn3C)cc2)cc1 40119733 SLXUNWHGSUOUQJ-UHFFFAOYSA-N 394.431 2.473 50 40 GEGB CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102043095 ZUUWZTOCWKSJGN-NNUHPOMRSA-N 378.384 2.354 50 40 GEGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1)OCc1ccccc1 408993921 XNGAZYDVOIHYGO-QVHMZZSFSA-N 391.431 2.398 50 40 GEGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)CN1CCCCCC1=O 12905222 BPLJYNOGKOIVGP-LBPRGKRZSA-N 383.901 2.371 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 6652401 BISKXYMGPKMNFR-LPYMAVHISA-N 392.415 2.271 50 40 GEGB COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 6441107 NBBMUPMQLKNDAY-ZDUSSCGKSA-N 379.869 2.174 50 40 GEGB Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c2c(C)nn(C)c2n1 25170253 GHLUIMXEGOIVAL-UHFFFAOYSA-N 376.420 2.152 50 40 GEGB C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1ccccc1O)c1ccccc1O 6292672 GWKYQHCNWFJURA-JFMUQQRKSA-N 382.420 2.259 50 40 GEGB CN(C)N(C(=O)COc1ccc(Cl)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 8848344 FHWMTPIXDVTTNG-CYBMUJFWSA-N 396.896 2.364 50 40 GEGB O=C(N/N=C\c1ccc(OC(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2 33148374 NQGIFBOROBPNNG-MTJSOVHGSA-N 397.387 2.010 50 40 GEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)cc3)s2)cc1 726392 WGRINABOELAGDC-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 5697889 HZNXVAJIJSQMOZ-SEQRPAEDSA-N 394.855 2.310 50 40 GEGB CCN1CC=C2[C@@H](C1)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 664238 SYSMEPKWADLCTQ-IEBWSBKVSA-N 387.443 2.218 50 40 GEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(C(=O)c2ccco2)C1 25317949 DBJWMNVUHXKOTN-GOWZHPGHSA-N 399.491 2.496 50 40 GEGB CCn1nc(C(=O)NNC(=O)CCc2ccc(C)cc2C)c2ccccc2c1=O 10086552 OXJOZBDYWHRJNK-UHFFFAOYSA-N 392.459 2.427 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 19954506 LRMWKJJQNXBMLI-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB O=C(N/N=C/c1cccc(I)c1)[C@H](O)c1ccccc1 59502289 GUJKQCPFOMDOKA-NGWPFTMJSA-N 380.185 2.475 50 40 GEGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccn2)c(Br)c1 40142848 BBXXIAQONHRLCY-LLVKDONJSA-N 378.226 2.381 50 40 GEGB Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c(C)c1 12528590 QSPWLZBSUFIALQ-MRXNPFEDSA-N 398.463 2.178 50 40 GEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 6544428 KSJVAZKSRVPQFU-YBFXNURJSA-N 395.868 2.119 50 40 GEGB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NNC(=O)c1ccc2c(c1)OCO2 22599114 PYLGLEFCHLZFJR-DAFODLJHSA-N 388.763 2.272 50 40 GEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)c2ccccc21 1297042 VVVVSDRYYGFSOF-OAQYLSRUSA-N 379.416 2.407 50 40 GEGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 6310492 MMTYWMOXUBFVHK-INIZCTEOSA-N 390.823 2.485 50 40 GEGB CCCCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9316275 IQICIMTYYYUTMI-SAPNQHFASA-N 386.452 2.443 50 40 GEGB C=CC(=O)N[C@@H](C(=O)OCC)[C@H](OC(=O)CCBr)c1ccccc1 4718999 YDOGTQXEDWPXAI-HZPDHXFCSA-N 398.253 2.290 50 40 GEGB COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1OC 6944925 GLLZFFZVVALKON-STRFDMGBSA-N 388.395 2.471 50 40 GEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(C)nc3onc(C)c23)cc1 54393755 ZYPIUFSTVNZXDR-CYBMUJFWSA-N 398.419 2.467 50 40 GEGB Cc1cccc(C(=O)N[C@@H](C(=O)NNC(=O)CNc2ccccc2)C(C)C)c1 12534797 GEHOPLKECLLIIO-LJQANCHMSA-N 382.464 2.009 50 40 GEGB O=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 7408941 CGMYLNNFFDJXNO-ZNFPLGDCSA-N 394.836 2.101 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 5514096 VNLCFHJCWCINJY-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB COc1ccc(-c2nc(C(=O)NNC(=O)Cn3nc(C)cc3C)cs2)cc1 15758374 PHHFFKSNWUBHCM-UHFFFAOYSA-N 385.449 2.093 50 40 GEGB CC1=CC(=O)[C@H](Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 4167634 MDZPVUVVDJNNRT-OEEGZLJJSA-N 377.205 2.468 50 40 GEGB O=C(N/N=C/c1ccccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4134795 XSJSKRLDWRIWNB-RCCKNPSSSA-N 386.477 2.410 50 40 GEGB COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)OC(=O)[C@@H]21 100913634 AALQLXOJVZHYOM-GRXQJBFDSA-N 399.830 2.455 50 40 GEGB CCOC(=O)NNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 21771902 CNBJXWAQCBOBKH-UHFFFAOYSA-N 390.396 2.041 50 40 GEGB COc1cc(C(=O)N/N=C2\C(=O)Nc3c2ccc(C)c3C)cc(OC)c1OC 12604588 WZTXRROPXIABOZ-UHFFFAOYSA-N 383.404 2.415 50 40 GEGB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)CI 408526412 BGKWRURECKLGIA-UHFFFAOYSA-N 388.209 2.488 50 40 GEGB O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cccnc1O 12894160 DWCBIFPPGJZTPV-UHFFFAOYSA-N 393.399 2.206 50 40 GEGB CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2C)c2ccccc21 5855823 LJLWHMBEZRMCIZ-ATJXCDBQSA-N 392.459 2.344 50 40 GEGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O[C@H](C)C(=O)O 4698906 LVWYACZPSPXROV-VURRPDKYSA-N 387.348 2.219 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1O[C@@H](C)CN(C)C 18200756 QXFHPRCMWJDKKH-BBATYDOGSA-N 383.452 2.274 50 40 GEGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1Cl 9384473 FZPJMTRMGWCUNU-UHFFFAOYSA-N 392.662 2.064 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccnc3)CC2)cc1OC 409007583 YALOTEVITMGZOB-OEAKJJBVSA-N 396.447 2.101 50 40 GEGB CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1-c1ccncc1 907615 JDCLXWJWUHOEEK-UHFFFAOYSA-N 396.476 2.222 50 40 GEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 408734812 KDHQIWLCZQAYRJ-OQLLNIDSSA-N 384.388 2.453 50 40 GEGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NCc2ccccc2OC)cc1 15162460 DOICSSBGIDOTFE-HZHRSRAPSA-N 399.447 2.281 50 40 GEGB O=C(NCc1ccncc1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4959862 CDBMYQHVQXNNPD-UUYOSTAYSA-N 393.359 2.016 50 40 GEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCNC(=O)c1ccco1 12788269 WPNPYTUVEUPYPZ-AWEZNQCLSA-N 395.415 2.168 50 40 GEGB CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(c2cccc3ccccc23)C1=O 8767109 PDLZJRNOSVCZST-NTCAYCPXSA-N 380.404 2.322 50 40 GEGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCc1ccc(F)cc1 408609005 IYHDMOHBYCUUNF-SSDVNMTOSA-N 387.411 2.388 50 40 GEGB CN(C)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21 100257293 RGZCVQKGEPUMFG-RELWKKBWSA-N 386.839 2.105 50 40 GEGB O=C(CC(=O)N/N=C/c1ccc(Br)cc1)NCc1cccnc1 59461575 NYMKHUDMGKUQKI-RGVLZGJSSA-N 375.226 2.001 50 40 GEGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CC)cc2)cc1 12605170 OMQDDDCGWKELSK-UHFFFAOYSA-N 391.449 2.057 50 40 GEGB COc1ccc2[nH]c(C(=O)NN[C@H]3OC(=O)c4c3ccc(OC)c4OC)cc2c1 2417110 YDEIYSOOOOCMJP-IBGZPJMESA-N 397.387 2.297 50 40 GEGB COC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccco2)sc2c1CCCC2 5218925 GMUQBCGDCANYAW-KEBDBYFISA-N 389.433 2.485 50 40 GEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408603940 HOXSVWODMITCBP-FSJBWODESA-N 385.395 2.166 50 40 GEGB CC[C@H](C)N1C(=O)/C(=C\NNC(=O)c2ccccc2Cl)C(O)=NC1=S 38169645 GORVOMJQIFFZAX-ANHFWZFOSA-N 380.857 2.340 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccncc1 6505485 KFCCRJFAXYOSKM-UHFFFAOYSA-N 399.259 2.103 50 40 GEGB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1 7982209 NWIRNZTXTQAOCN-FMIVXFBMSA-N 398.390 2.408 50 40 GEGB Cc1cc(C)nc(NNC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 22234326 ANLAJXQJECIBPM-OAHLLOKOSA-N 377.395 2.269 50 40 GEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 57509036 GBUATHIJWJFUQN-CYBMUJFWSA-N 384.816 2.122 50 40 GEGB COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O 73123658 VEKSMSXVPDRSAR-OCKHKDLRSA-N 377.784 2.152 50 40 GEGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 5047072 HBUMMFIASZNQKH-NTCAYCPXSA-N 388.493 2.218 50 40 GEGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCC)c(O)c2)s1 1958299 ADYZBFUMUSEQRI-VCHYOVAHSA-N 391.453 2.074 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc2ccccc12 3067250 FLHTVRCJALGVIC-FYJGNVAPSA-N 397.456 2.462 50 40 GEGB CC(C)(C)OC(=O)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 60781293 QBIICKUIJINLDV-UHFFFAOYSA-N 383.395 2.373 50 40 GEGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 28214041 TVUDRTPYLMLIQU-WSDLNYQXSA-N 399.447 2.128 50 40 GEGB C/C(=N\NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 4825232 GERBXONSLSRCJT-ORWNMUSCSA-N 387.823 2.136 50 40 GEGB C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1 3127133 HAQYUCIETNSGPA-VURRPDKYSA-N 390.237 2.482 50 40 GEGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58884981 WLCHNUICSRNVAA-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB O=NN(CCCl)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)N(CCCl)N=O 5133926 PNPXJHBSAKUNFW-UWVGGRQHSA-N 383.236 2.161 50 40 GEGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccccc1OC 13747237 SVLXYPBXYZXLAT-SRZZPIQSSA-N 386.408 2.114 50 40 GEGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCC 13747724 YBBCKDNGVGHLDE-VIZOYTHASA-N 377.182 2.091 50 40 GEGB O=C(COC(=O)CCC(=O)c1cccs1)NNC(=O)c1ccc(Cl)cc1 2657386 NJFSJIQNZFBMMG-UHFFFAOYSA-N 394.836 2.369 50 40 GEGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 6075980 MNHSCCNYWZEXJW-IKQLPNFSSA-N 390.443 2.093 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1OC 4735420 NOMPHOCWNGIRPA-VXLYETTFSA-N 389.364 2.019 50 40 GEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 408779939 OBLCQQQNYOQBFT-UDWIEESQSA-N 377.441 2.304 50 40 GEGB CC(C)N1C(=O)/C(=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 13597707 LACLSWQUMLQVCJ-DYTRJAOYSA-N 382.376 2.249 50 40 GEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N2 8446087 BHHUMSOBVRTFQL-UHFFFAOYSA-N 383.404 2.361 50 40 GEGB O=C(Sc1c[nH]c(=O)[nH]c1=O)c1ccc(N(CCCl)CCCl)cc1 1762568 LSVKNQIZCQNXRS-UHFFFAOYSA-N 388.276 2.280 50 40 GEGB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)n1 2661950 WCXNBUVRGFNLCV-UHFFFAOYSA-N 392.415 2.107 50 40 GEGB Cc1c(Br)c(C(F)F)nn1CC(=O)NN=C1CCN(C)CC1 54969036 AKHVCGBAJAFUHZ-UHFFFAOYSA-N 378.221 2.089 50 40 GEGB CCOC(=O)C(=O)Nc1sc2c(c1/C(O)=C(\C#N)C(=O)OC)CCCC2 101460887 WODGNCYJKJXJPI-RAXLEYEMSA-N 378.406 2.094 50 40 GEGB Cc1ncc(CC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)s1 3249317 RYIIWPDFPNQWAA-UHFFFAOYSA-N 380.278 2.311 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657094 YYGHRVOZKHOGLY-NEPJUHHUSA-N 395.843 2.097 50 40 GEGB CCCCCCC(=O)NN/C(C)=C1\C(=O)N=C(O)N(Cc2ccccc2)C1=O 17209559 HMHVTHRUGXFLQG-SAPNQHFASA-N 386.452 2.335 50 40 GEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)c1cc2ccccc2oc1=O 950484 YOKOHDRSBCOAOW-RIYZIHGNSA-N 390.351 2.413 50 40 GEGB Cn1c(CC(=O)NNC(=O)c2cnc(Cl)c(Cl)c2)nc2ccccc21 2655346 WQRBACHJJJWLJG-UHFFFAOYSA-N 378.219 2.279 50 40 GEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2Cl)cc1 6544662 LYKANBMOMGAUIA-YBFXNURJSA-N 395.868 2.119 50 40 GEGB CCc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccccc3)C2=O)cc1 9087531 GXXCOMFRAZKKAJ-FOWTUZBSSA-N 378.388 2.491 50 40 GEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccccc1I 16694143 LJTINXCJPPTQFO-YFHOEESVSA-N 379.157 2.083 50 40 GEGB CCN1C(=O)/C(=C/C=C2\SCCN2CI)OC1=S 17020683 HLOUTLRQXDZNLL-ZATFKQDHSA-N 396.275 2.317 50 40 GEGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)OC2=O 100260585 UCIXLLGDWVFKGP-IRXDYDNUSA-N 395.253 2.332 50 40 GEGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1)c1ccc(O)cc1O 101528300 PVSVZEFWQACLOB-UDWIEESQSA-N 395.375 2.405 50 40 GEGB CN1C(=O)C(=Cc2ccc(N(CCCl)CCCl)cc2)C(=O)N(C)C1=O 3068545 CMZPUNPEMUJVCU-UHFFFAOYSA-N 384.263 2.404 50 40 GEGB COc1ccc(OC)c([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4452869 RCEHSXJOTGDHRA-MJGOQNOKSA-N 375.432 2.059 50 40 GEGB O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(-n2cccn2)cc1 14160892 VLMGUMNWORIEFK-UHFFFAOYSA-N 392.444 2.355 50 40 GEGB O=C(NNC(=O)c1ccc[nH]c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 7137808 MDFGNSBDRBFZLR-UHFFFAOYSA-N 399.410 2.302 50 40 GEGB CCn1c(NNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)nc2ccccc2c1=O 8747343 YDMAQBDHOZTBCX-UHFFFAOYSA-N 382.380 2.123 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9154671 OINUKGOEKLPGQP-UHFFFAOYSA-N 397.428 2.260 50 40 GEGB COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 17083868 BRUILUANISRONL-UHFFFAOYSA-N 382.203 2.402 50 40 GEGB Cc1ccc(C(=O)N/N=C\c2ccc(O)c(I)c2)cn1 30802949 YOLWYGQHYIPIMT-IDUWFGFVSA-N 381.173 2.464 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 408880874 JFBOIOJMPNYQAB-MDWZMJQESA-N 377.360 2.331 50 40 GEGB COC(=O)c1ccc(C(=O)NNC(=O)CNc2cccc(C(F)(F)F)c2)cc1 11648659 CNVMYJCMOFUNOT-UHFFFAOYSA-N 395.337 2.365 50 40 GEGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccs1 59105230 WGJOKRKYXXNSOO-CIAFOILYSA-N 396.472 2.326 50 40 GEGB O=C(CC(=O)N/N=C/c1cccc(Br)c1)NCc1cccnc1 59461574 RHSOHRZTCZDOCT-RGVLZGJSSA-N 375.226 2.001 50 40 GEGB CC(=O)N[C@@H](CC(=O)NNC(=O)COc1c(C)cccc1C)c1ccccc1 6558449 BMVRVFJMPFJHBX-SFHVURJKSA-N 383.448 2.097 50 40 GEGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 12292585 VHSLPHJBVNJSNK-MRXNPFEDSA-N 383.448 2.006 50 40 GEGB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 40161057 WPLXQOJBIGTEIQ-CYBMUJFWSA-N 392.419 2.048 50 40 GEGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1OC 409316145 LNRFJAHZXDXSQK-UUYOSTAYSA-N 385.420 2.112 50 40 GEGB Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6861165 MLAOJBPNGAGCPT-UHFFFAOYSA-N 377.853 2.363 50 40 GEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc2c(s1)CCC2 25323158 RGCKJPXGEYLBSB-ZDUSSCGKSA-N 387.461 2.143 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C(=O)OC)cc1 408608343 VWWOTDVKUQCFQS-CQSZACIVSA-N 384.417 2.031 50 40 GEGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 408978684 AKLREXIQZJEIKW-DJKKODMXSA-N 399.798 2.360 50 40 GEGB COc1ccccc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 13001424 WWGQTFZKKXAOJD-UHFFFAOYSA-N 380.404 2.061 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 409365115 PZIXSACXQHTFCW-UDWIEESQSA-N 385.376 2.458 50 40 GEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2O)c(C)c(C#N)c1=O 409056149 MWBTXQUQGWJQPP-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1O 408717976 GHCXWJAOBSAWFP-LNOXHEFASA-N 385.420 2.127 50 40 GEGB O=C(N/N=C1/C(O)=Nc2ccc(Cl)cc21)c1csc(N2CCOCC2)n1 40161340 YCZFTBRYXILJMZ-UHFFFAOYSA-N 391.840 2.369 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 5697877 LDGLKCOYVVSOJI-YUTCNCBUSA-N 380.828 2.230 50 40 GEGB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1 7939973 RKBRKKZFIRGHRN-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB O=C(CBr)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 230569263 MLDBZFCGJHDPLO-UHFFFAOYSA-N 387.233 2.446 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 408782093 HEXDRSPKDRJSDB-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CC(=O)NNC(=O)CSc1nnc(COc2ccccc2)n1CCC(C)C 7140287 IHODHJRCNPWJKP-UHFFFAOYSA-N 391.497 2.163 50 40 GEGB Cc1cccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1C 30843313 DQBMFCWNNDNWEH-LSCVHKIXSA-N 388.336 2.355 50 40 GEGB CCCCCCC(=O)NN/C(C)=C1\C(=O)N=C(O)N(C2CCCCC2)C1=O 16971687 XZRXYJQHZFCPQM-DTQAZKPQSA-N 378.473 2.467 50 40 GEGB C[C@H](Br)C(=O)OC[C@H](CCl)OC(=O)[C@@H](C)Br 4727148 XKWSDRMROLAMCQ-XVMARJQXSA-N 380.460 2.247 50 40 GEGB CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1O 106193836 PTLMYMKEYJCSNY-ZDLGFXPLSA-N 388.336 2.300 50 40 GEGB O=C(/C=C/c1ccc(F)c(Cl)c1)NNC(=O)[C@H]1COc2ccccc2O1 12770625 VCZYQRDBFOMYMZ-IQIBNGDESA-N 376.771 2.480 50 40 GEGB C=CCc1cc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc(OC)c1OC 16224455 COZZEGYKNSNXGU-UHFFFAOYSA-N 384.432 2.445 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)cc1 408907110 LZVGFFHXZXMSKV-CKMDTHJYSA-N 394.431 2.396 50 40 GEGB CSc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 39986617 JMWBMMPQNJOIED-UNOMPAQXSA-N 391.518 2.488 50 40 GEGB O=C1O[C@@H]2C[C@]13Cc1ccccc1[C@]3(C(=O)O)C[C@@H]2I 5004852 JLEHQLHDDIKONB-DRABBMOASA-N 384.169 2.074 50 40 GEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1 1958379 FCSJGVARXDUVBY-LZYBPNLTSA-N 396.270 2.342 50 40 GEGB CCOC(=O)CP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 3082433 SWSRSRCHQFYUBJ-UHFFFAOYSA-N 378.277 2.380 50 40 GEGB CC(C)(C)OC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 17398515 VPJILBFGPKUEOB-UHFFFAOYSA-N 383.470 2.031 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408614542 DLZLRJQHHOGGOW-CQSZACIVSA-N 385.395 2.039 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19954021 SCZXNNWJGQLQDH-XMHGGMMESA-N 375.450 2.002 50 40 GEGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(OC2CCCC2)cc1 102204710 YXCBAYFFEZSVOO-ZZCKCESHSA-N 384.432 2.292 50 40 GEGB C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 58006583 QFHOCQFNMFTMRG-HNNXBMFYSA-N 397.475 2.329 50 40 GEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 12755024 QJAFISZTCPPUFD-ZDUSSCGKSA-N 388.420 2.331 50 40 GEGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccccc3F)cc2)n1 3458442 XPWUFJCIKZOOBS-UHFFFAOYSA-N 382.395 2.468 50 40 GEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c(C)c1 408774677 XQESSWXHMIKAPE-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 30578655 XKCMHESYGLFMND-AWEZNQCLSA-N 394.431 2.003 50 40 GEGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 6441114 NBBMUPMQLKNDAY-CYBMUJFWSA-N 379.869 2.174 50 40 GEGB Nc1nonc1-n1nnc(C(=O)NN=C2CCCCCC2)c1-c1ccccc1 1085587 NFJHHTBFRVYJBN-UHFFFAOYSA-N 380.412 2.340 50 40 GEGB CC1(C)Cc2ccccc2/C(=C\C(=O)C(=O)N/N=C/c2ccc(O)c(O)c2)N1 107390851 RFQDOUMQXWSYBX-QDLBUKSHSA-N 379.416 2.082 50 40 GEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 16363366 MDIZAPNDXLWDII-DNTJNYDQSA-N 397.347 2.208 50 40 GEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 100714484 SDZHKSZUQXKKKM-HNNXBMFYSA-N 375.475 2.392 50 40 GEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2cc([N+](=O)[O-])ccc2s1 4088521 CNVXBWQGTVEFRV-AWEZNQCLSA-N 399.384 2.411 50 40 GEGB CCCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC 4476322 JXAHBGSNWOFMQL-QGZVFWFLSA-N 384.388 2.148 50 40 GEGB Cc1ccc(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 102626249 MJBJYWBCPDXASC-ZZIDHEKVSA-N 393.233 2.292 50 40 GEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 675019 TXXLIASNYGDGJE-UHFFFAOYSA-N 381.432 2.492 50 40 GEGB O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59515435 LJRXMFANDFZYNG-ZVBGSRNCSA-N 379.294 2.492 50 40 GEGB O=C(COC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1 3300620 RWRGFBOUQYZYRR-UHFFFAOYSA-N 377.194 2.067 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1OCC 4401827 SFVZQLXOGCBHEE-LFVJCYFKSA-N 395.459 2.459 50 40 GEGB COc1ccccc1CC(=O)NNC(=O)[C@H](C)Nc1nc2ccccc2s1 8749471 RTCKASCMNZFFMV-LBPRGKRZSA-N 384.461 2.495 50 40 GEGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1ccc(Br)cc1 101158413 JOXKGGFKGZCPNA-HIPSJFSSSA-N 382.258 2.240 50 40 GEGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)c1 408972882 WPSAOCUUNZUJNM-BLTFUYFMSA-N 396.491 2.456 50 40 GEGB O=C(NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1ccc([N+](=O)[O-])cc1 842944 XMGBAJDKCRZPLQ-UHFFFAOYSA-N 397.439 2.342 50 40 GEGB COc1ccc2[nH]c(C(=O)NN[C@@H]3OC(=O)c4c3ccc(OC)c4OC)cc2c1 2417109 YDEIYSOOOOCMJP-LJQANCHMSA-N 397.387 2.297 50 40 GEGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 14139298 RHOLEWWNFJEEBZ-HNNXBMFYSA-N 385.395 2.095 50 40 GEGB C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(OCC(N)=O)cc1 5943649 VDYCCHXOKQOFOE-HZHRSRAPSA-N 376.416 2.495 50 40 GEGB CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408906280 FIRLAQLTTHYQEE-AUQXIXNCSA-N 389.477 2.390 50 40 GEGB COc1ccc(/C=N/NC(=O)CO)cc1OCc1ccc(Br)cc1 4525869 YSFDPTYIABBCDR-DJKKODMXSA-N 393.237 2.479 50 40 GEGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cc3c(cc2Br)OCO3)n1 11298052 IZXKIGAHLPOMMU-YCRREMRBSA-N 389.213 2.075 50 40 GEGB Cc1cc(/C=N/NC(=O)c2ccco2)c(O)c(/C=N/NC(=O)c2ccco2)c1 4598815 DXPQAAKVRXAPON-CLVAPQHMSA-N 380.360 2.414 50 40 GEGB COC(=O)COc1ccccc1/C=N\NC(=O)COc1cccc2cccnc12 409014122 FGMJWPWJXFDYRF-FMCGGJTJSA-N 393.399 2.316 50 40 GEGB CCOc1ccc([C@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1026237 FKXPWVPIALHDDX-PXNSSMCTSA-N 389.459 2.497 50 40 GEGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1 6984767 UWRQTCWFMMLMMU-DYVFJYSZSA-N 387.411 2.008 50 40 GEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 5794901 SOQILEULZIDNJH-LPYMAVHISA-N 395.442 2.476 50 40 GEGB COc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc(C)cc2C)cc1OC 26530055 GYFVIVQKCUJREJ-UHFFFAOYSA-N 378.450 2.252 50 40 GEGB CC1=NN(c2ccccc2C)C(=O)/C1=C/NNC(=O)c1ccccc1[N+](=O)[O-] 4421024 USRGDMWQEUFBGJ-RVDMUPIBSA-N 379.376 2.444 50 40 GEGB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OCCCl 4578155 VYHQQTMVRAGCGR-HNNXBMFYSA-N 398.887 2.411 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1 20214758 HQFPVQDWZZVSRB-HTMJNSLASA-N 395.506 2.452 50 40 GEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc(O)c1 31830153 PQVUVTLUQHKGEC-XKZIYDEJSA-N 386.883 2.314 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5840588 MWFOLYCIDAGJGK-QISBLDNZSA-N 388.464 2.257 50 40 GEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccnc2)cc1OC 10039095 ZQQRPKWVQXPVGN-DNTJNYDQSA-N 377.784 2.059 50 40 GEGB COc1cc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc(OC)c1OC 5512429 WAMZITWWFDCNAO-UDWIEESQSA-N 377.441 2.002 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 4713814 YDYLGTWPDQIMDE-UHFFFAOYSA-N 380.400 2.454 50 40 GEGB Cc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1-c1ccc2c(c1)OCCO2 28263957 IDULTKOOIFKMMX-UHFFFAOYSA-N 392.415 2.335 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(OC)c1 408608231 VNRCZQAHICLJIC-HNNXBMFYSA-N 386.433 2.262 50 40 GEGB CCCCCCCNC(=O)CCC(=O)NNC(=O)c1ccc(N(C)C)cc1 98045210 XYWQDSBAFDXPSY-UHFFFAOYSA-N 376.501 2.380 50 40 GEGB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)C1=O 2207480 GRZLKRXRUFYYHV-JLHYYAGUSA-N 398.806 2.050 50 40 GEGB CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 27018461 FRDOMBXSDSLOCO-KGZWWPETSA-N 398.440 2.359 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1C 17079473 INHXCGVEXPROFI-HZPDHXFCSA-N 389.452 2.061 50 40 GEGB O=C(COc1cccc2cccnc12)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 4739412 PYNAVPPCJNUQKK-ZVBGSRNCSA-N 394.343 2.401 50 40 GEGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 7518270 FVULKDNOQKAYGE-UHFFFAOYSA-N 390.339 2.217 50 40 GEGB COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccccc2C(=O)OC)C1=O 9341520 UMSDJQANHMCZNX-VBKFSLOCSA-N 383.404 2.014 50 40 GEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20210334 MGHAARCFYQNRCL-DEDYPNTBSA-N 393.440 2.141 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408775604 QMJGAVJMUFMCQG-DEDYPNTBSA-N 393.440 2.141 50 40 GEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1 59515623 OZTQKYAWBKVPEA-QGMBQPNBSA-N 390.193 2.267 50 40 GEGB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)NN(c1ccccc1)c1ccccc1 107620161 LFTUPOFQNYUTGU-GOSISDBHSA-N 398.463 2.482 50 40 GEGB COc1ccc(C(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1OC 1779401 UYNVDHORFSUMMC-FOKLQQMPSA-N 394.431 2.374 50 40 GEGB CCOc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 109018216 SAMHZJXAXALGPF-UYRXBGFRSA-N 381.498 2.130 50 40 GEGB CCCn1c(O)c(C(=O)NNC(=O)c2ccccc2F)c(=O)c2ccccc21 5739088 BWSRLSBYGWEDHV-UHFFFAOYSA-N 383.379 2.331 50 40 GEGB COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(Cl)c(F)c1)C(F)(F)F 2769550 LUJYDMVOZOROBZ-LDYMZIIASA-N 378.105 2.491 50 40 GEGB Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)c1cccc(N(C)C)c1 12513616 OGJIQWOJBRDGBS-UHFFFAOYSA-N 380.452 2.461 50 40 GEGB CCCn1nc(C(=O)NNC(=O)c2ccc(C)c(C)c2)c2ccccc2c1=O 3397460 RMCVRTZZTWVKDA-UHFFFAOYSA-N 378.432 2.498 50 40 GEGB COc1cc(Br)c(CC(=O)NNC(=O)c2ccco2)cc1OC 8238618 GKYQLOVLRHZOCQ-UHFFFAOYSA-N 383.198 2.063 50 40 GEGB CC[C@@H](C(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 12785006 QYRJVTWXNZJDTA-MRXNPFEDSA-N 390.443 2.298 50 40 GEGB N#Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(F)c1 138571814 BESWMQXKUDGZEU-UUYOSTAYSA-N 397.366 2.206 50 40 GEGB CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccccc2C)c2ccccc21 100187332 LJLWHMBEZRMCIZ-BSYVCWPDSA-N 392.459 2.344 50 40 GEGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408611331 QPXAYZQLELERAG-QVHMZZSFSA-N 399.422 2.150 50 40 GEGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 5774764 NCCJFSDQNSVSQN-GIJQJNRQSA-N 386.260 2.422 50 40 GEGB CCCCn1nc(C(=O)NNC(=O)c2ccccc2F)c2ccccc2c1=O 2627107 FVRWPDAULACEIA-UHFFFAOYSA-N 382.395 2.411 50 40 GEGB NS(=O)(=O)c1cc(C(=O)N/N=C2\CCCc3ccccc32)ccc1Cl 7786751 SIIVTUMUKPNNDK-HMMYKYKNSA-N 377.853 2.458 50 40 GEGB CC(C)C(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)CC1 57354589 AMIFKTCJLMAQRL-AWEZNQCLSA-N 377.872 2.110 50 40 GEGB CCn1nc(C)c(C(=O)OC)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253398744 HJYVMGYICGJORS-OAHLLOKOSA-N 384.436 2.449 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc(C)c1Cl 5959921 ZPMYSLVNAALTSX-KNPMLCFXSA-N 394.855 2.230 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCC(=O)O 13357402 OOUDXAYKGRUHKR-MDWZMJQESA-N 396.355 2.402 50 40 GEGB O=C(NN/C=C1\C(=O)N(CCC2=CCCCC2)C(=O)N=C1O)c1ccncc1 9088149 YCASIZJKYXFFOQ-QINSGFPZSA-N 383.408 2.009 50 40 GEGB CNc1nc(SCC(=O)NNC(=O)c2ccccc2F)nc2ccccc12 24598822 RMGVBJPZORVXSO-UHFFFAOYSA-N 385.424 2.364 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OC)cc2)s1 408730891 JXNVPWJJYREMDS-WOJGMQOQSA-N 375.454 2.368 50 40 GEGB CCCCOC(=O)c1ccc(NC(=O)N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 16639043 KRWUHRCVXPKOOB-WJDWOHSUSA-N 396.403 2.145 50 40 GEGB O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CCCC1 43811369 CNLJVQKXIYSERS-UHFFFAOYSA-N 379.407 2.155 50 40 GEGB CC(=O)N(NC(=O)c1ccc(C)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O 2417324 QQIAMBIRHWQLRV-QGZVFWFLSA-N 399.834 2.474 50 40 GEGB C#CCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2cc(Br)ccc21 5662703 PMTXQTRTYFBYEC-RELWKKBWSA-N 396.244 2.492 50 40 GEGB Cc1cc(C)cc(NC(=S)NNC(=O)c2csc(N3CCOCC3)n2)c1 7582529 OPOCEXSOKDJPAV-UHFFFAOYSA-N 391.522 2.228 50 40 GEGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 16154301 UBXMPPBRJGRDTK-UHFFFAOYSA-N 393.465 2.429 50 40 GEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2)c1 3212869 UGVWDSVOILIBMI-UHFFFAOYSA-N 390.465 2.184 50 40 GEGB COc1ccc(CCNC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC 25110081 DXJWKZCTUHNGJI-UHFFFAOYSA-N 389.477 2.441 50 40 GEGB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCBr)c(OC)c1 18128746 NHSSHMLCRHXLHP-CQSZACIVSA-N 384.226 2.383 50 40 GEGB N#CCC(=O)NN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 5446246 FZZDZMWWWIGGHL-WJDWOHSUSA-N 380.791 2.402 50 40 GEGB Nc1nonc1-n1nnc(C(=O)N/N=C/C2CCCCC2)c1-c1ccccc1 4953059 YYFLOCKWJNBVEZ-RGVLZGJSSA-N 380.412 2.195 50 40 GEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)c(C)c2)n1 6963836 RYIQIBCEVXABTI-CIAFOILYSA-N 399.520 2.481 50 40 GEGB CCn1c(NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)nc2ccccc2c1=O 11166800 JWCYARZOIIBJAT-CQSZACIVSA-N 395.394 2.125 50 40 GEGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c1O 4698924 CUGBYAJWYMGWIX-GIJQJNRQSA-N 392.209 2.252 50 40 GEGB CC1=NN(c2ccccc2C)C(=O)/C1=C/NNC(=O)c1cccc([N+](=O)[O-])c1 98087118 LGZOVFSXLVCNRV-LFIBNONCSA-N 379.376 2.444 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 20208564 LTIGZNKMSWCNTN-UDWIEESQSA-N 389.477 2.228 50 40 GEGB O=C(COC(=O)c1cccc(Br)c1)NNC(=O)c1ccccc1 3297374 RUOXEXOHCWUOMM-UHFFFAOYSA-N 377.194 2.067 50 40 GEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O 2401649 UXPIHKODKZNUCZ-SDNWHVSQSA-N 390.399 2.457 50 40 GEGB NS(=O)(=O)c1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1 12809138 LKJFUSGQXAXXSI-UHFFFAOYSA-N 390.343 2.381 50 40 GEGB O=C(O)c1ccccc1C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 3956905 GVPYVQJZLBRDEF-UHFFFAOYSA-N 390.395 2.082 50 40 GEGB COc1ccc(/C=N\NC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 31628825 PMAPOQYCJXXVRO-WELBJSHPSA-N 386.408 2.388 50 40 GEGB NC(=O)CCn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 7098626 UPGUJKFRTQNLEV-WSDLNYQXSA-N 393.403 2.118 50 40 GEGB Cc1cc2ccccc2n2c(SCC(=O)NNC(=O)c3ccco3)nnc12 1223198 CFSQBBWIQZKXGC-UHFFFAOYSA-N 381.417 2.337 50 40 GEGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 4721527 IIPQIGLECFYSTQ-SZIWTGDNSA-N 378.388 2.240 50 40 GEGB COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC 5550244 UVDDRVGAYVQLGT-HOTGVXAUSA-N 375.812 2.122 50 40 GEGB NC(=O)Cn1cc(/C=N\NC(=O)COc2ccccc2Cl)c2ccccc21 107631430 RCTNBLHDGULIJR-AFPJDJCSSA-N 384.823 2.309 50 40 GEGB COc1ccc2c(c1OC)[C@H]1C=C[C@@](Br)(C2=O)[C@@H]2C(=O)OC(=O)[C@H]12 227058433 FFQZDMWNNLODPX-UFWYZNDASA-N 393.189 2.003 50 40 GEGB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCBr)cc1OC 870918 VHWXBEWTDIGVQP-CQSZACIVSA-N 384.226 2.383 50 40 GEGB O=C(CSc1nnc(COc2ccccc2)o1)NNC(=O)c1ccccc1 7604843 YNJKVKZLMGRPQW-UHFFFAOYSA-N 384.417 2.202 50 40 GEGB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1cccs1 102622889 CQPJBPJMOHKODA-BMMXIWBESA-N 385.235 2.045 50 40 GEGB O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Br)cc1 59515420 VVMVRJCMOLXVET-GIJQJNRQSA-N 390.193 2.236 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 408790938 UPEIMMGCRIWEGE-UDWIEESQSA-N 389.477 2.228 50 40 GEGB O=C(NNC(=O)[C@H]1CCCO1)c1cccnc1SCc1ccc(F)cc1 84358252 BLBKGDKWZOFUBI-OAHLLOKOSA-N 375.425 2.453 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 674447 GWJVIKRVSPMSSX-UHFFFAOYSA-N 393.852 2.312 50 40 GEGB N#C/C(=C\c1cc(Br)c2c(c1)OCO2)C(=O)NC[C@H]1CCCO1 7159919 JITMYROLBBGTQO-KBVBDRTLSA-N 379.210 2.380 50 40 GEGB C=CCc1cccc(/C=N/NC(=O)[C@@H](c2ccncc2)N2CCOCC2)c1O 20057168 KAJCMEBDKYXEQE-SYVPYPDPSA-N 380.448 2.039 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccc(O)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409060381 RIZSTNIPYWDGDL-KSEXSDGBSA-N 391.362 2.021 50 40 GEGB O=C(CCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 1956047 LUEZLPXNMIUXOW-JFMUQQRKSA-N 382.420 2.259 50 40 GEGB CCn1c(NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)nc2ccccc2c1=O 11166806 JWCYARZOIIBJAT-AWEZNQCLSA-N 395.394 2.125 50 40 GEGB CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(Cl)c1 6509121 LTNHYYMQOYSUSJ-ZDUSSCGKSA-N 395.868 2.246 50 40 GEGB Cc1cc(C(=O)NNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)c(C)o1 8706515 PZVQGCQVIAKBQG-UHFFFAOYSA-N 382.376 2.133 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 101303178 PGXUHOMQFORHLZ-DRYFDLRVSA-N 393.317 2.176 50 40 GEGB CCCOc1cccc(/C=N/NC(=O)CNC(=O)Cc2ccc(OC)cc2)c1 4544281 LJSPKBUFNPXDEW-OEAKJJBVSA-N 383.448 2.293 50 40 GEGB COc1cc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 5868029 ZFGPOBQMKASPLV-AGKWGAAGSA-N 386.404 2.393 50 40 GEGB COc1ccccc1NCC(=O)NNC(=O)c1ccc(Br)cc1 9882443 FJXDAIFSOXSEHA-UHFFFAOYSA-N 378.226 2.331 50 40 GEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 409263248 LVMARGZIYWJQLW-NSMHLIOHSA-N 396.447 2.069 50 40 GEGB COc1cc(/C=N/NC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O 1049686 JYIXCIXUIVYZEG-AWQFTUOYSA-N 398.444 2.342 50 40 GEGB O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1cc2c(s1)CCCCC2 23789003 NCWLQHZXMNOPCV-UHFFFAOYSA-N 396.472 2.188 50 40 GEGB C=CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccnc1 15084413 PHYCMCNSTWSNNF-LLVKDONJSA-N 378.417 2.196 50 40 GEGB CCc1ccc(OCC(=O)NNC(=O)CCc2ccc(OC)c(OC)c2)cc1 7639930 RMDUUFQLQWZIAX-UHFFFAOYSA-N 386.448 2.425 50 40 GEGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C1/CCCN1)c1cccs1 3192046 CPHDXQRWQAGPJN-INIZCTEOSA-N 395.488 2.384 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408734858 GGMVXAPDYUODNW-VXLYETTFSA-N 392.799 2.291 50 40 GEGB CC(=O)Nc1ccc(/C=N/NC(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 1040459 QIDYEEXJPZBKSQ-HGEIODPWSA-N 380.408 2.271 50 40 GEGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(Nc3ncccn3)c2)c1 12545077 DKXLYPYWOICUNO-UHFFFAOYSA-N 377.404 2.369 50 40 GEGB COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1OC 17835543 XTCBLNSVLGEUCJ-UHFFFAOYSA-N 398.419 2.144 50 40 GEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4179683 IPTQYQCVYBGPMM-FYJGNVAPSA-N 398.419 2.269 50 40 GEGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1 6441032 OIHYKNKLAASZQF-HNNXBMFYSA-N 399.472 2.167 50 40 GEGB Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(O)c(Br)c1 4544253 MDSNJCHKOSMDNG-AWQFTUOYSA-N 390.237 2.343 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1 4678209 OUNBCAQLILWEGU-YDZHTSKRSA-N 378.432 2.218 50 40 GEGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1 9883839 OWSGZBBRGLRPJK-ZDUSSCGKSA-N 383.379 2.275 50 40 GEGB COc1ccc(CC(=O)NNC(=O)CSc2nncc3ccccc23)cc1 33941197 ZMZBIYKHPSNWCK-UHFFFAOYSA-N 382.445 2.121 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C(=O)OC)cc1 408608338 VWWOTDVKUQCFQS-AWEZNQCLSA-N 384.417 2.031 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)ccc21 408890528 VDMALMGROCMFED-NTEUORMPSA-N 376.372 2.121 50 40 GEGB CCCCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)C1=O 5070607 IFZZOPFVFPEUGY-ACCUITESSA-N 392.843 2.117 50 40 GEGB CCc1ccc(C(=O)NNC(=O)CCn2c(=O)n(CC)c3ccccc32)cc1 12735881 WPZBLMKZYZXACR-UHFFFAOYSA-N 380.448 2.237 50 40 GEGB COC(=O)C1=C(C=O)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 22064924 NOJOPYUNEHPTPL-INIZCTEOSA-N 388.376 2.133 50 40 GEGB in-vitro COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2c(C)nn(C)c2nc1C 29003436 HKRGBERKNHLZFK-UHFFFAOYSA-N 387.827 2.322 50 40 GEGB O=C(NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2)on1 46325456 RDPLSRRPYUNGHB-UHFFFAOYSA-N 392.331 2.201 50 40 GEGB COC(=O)c1ccc([C@@H]2[C@@H]3C(=C[C@@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 19798282 KBLRNVGKQOQYOE-YGWPLHOASA-N 399.454 2.359 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1Br 6646908 CAJMHYNTBJZMPP-GHMZBOCLSA-N 399.241 2.110 50 40 GEGB COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O[C@@H](C)C(=O)O 409231609 DBSSTBBUFOARPI-VSMYLPJWSA-N 387.348 2.219 50 40 GEGB CN1C(=O)/C(=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc21 409348620 PIKNHRSHXHEXTD-LVZFUZTISA-N 384.417 2.325 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCCC2 40052367 PISZYDQPUBRIKK-CYBMUJFWSA-N 375.494 2.179 50 40 GEGB CN(C)c1ccc(/C=C2\S/C(=N\NC(=O)c3ccccc3O)NC2=O)cc1 15057189 QQIKXWLLDQGKRX-WJDWOHSUSA-N 382.445 2.363 50 40 GEGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9089451 QJRGSBAKRDFJPT-QWHCGFSZSA-N 379.825 2.137 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCc1ccc2c(c1)OCO2 12614350 ATMDRBXHGGOAME-UHFFFAOYSA-N 376.796 2.471 50 40 GEGB CC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)C(C)C 12860728 FGZAJHVMKZZUBR-DOMZBBRYSA-N 383.876 2.032 50 40 GEGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1Nc1ccccc1 24127209 HFRNOPVNNSKWIL-AWEZNQCLSA-N 387.461 2.016 50 40 GEGB COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)OC(=O)[C@H]21 100913636 AALQLXOJVZHYOM-NWZZKEMCSA-N 399.830 2.455 50 40 GEGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)c(OC)c1 408865678 DRFFZPAUCQSYAH-CXUHLZMHSA-N 396.399 2.391 50 40 GEGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 2135501 BTXFPZHLXMKBDP-UHFFFAOYSA-N 378.797 2.198 50 40 GEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccncc2)cc1OC 6580595 TYIKJHYCCMJCHX-AWQFTUOYSA-N 377.784 2.059 50 40 GEGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc(Br)cc1 59444385 QQNWCFYZZVCODS-GIJQJNRQSA-N 390.193 2.236 50 40 GEGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(C)o2)sc2c1CCC2 2343728 WYFTUVQIBCVKOJ-QGMBQPNBSA-N 375.406 2.014 50 40 GEGB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1ccoc1C 14323314 IVIWCEGVCOIZKQ-MRXNPFEDSA-N 390.415 2.156 50 40 GEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 32934799 TVTXAYNBWDUWPJ-IBGZPJMESA-N 396.491 2.429 50 40 GEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)cc3)s2)c1 1501735 IJWPCDBXSVFXSZ-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB Cc1nn(C)c(C(=O)NNC(=S)N[C@H](C)c2ccccc2)c1Br 2794781 WHLSRHMIKAAWIE-SECBINFHSA-N 396.314 2.361 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(Br)c1 4855318 WFLHAXYSVQTXIC-ZDUSSCGKSA-N 375.178 2.113 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 19953820 SFBWLPSXBBDQSG-NPRIEWAGSA-N 389.477 2.308 50 40 GEGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCC 408758620 NXQPTRHHAFKNPQ-BJMVGYQFSA-N 386.189 2.481 50 40 GEGB Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 3442846 PWZCBALQFLXTEC-UHFFFAOYSA-N 391.221 2.376 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Br)cc1 4855317 YFNPRWZVZFBBMG-ZDUSSCGKSA-N 375.178 2.113 50 40 GEGB biogenic,in-vitro CC(=O)N[C@@H](CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 9376530 RJDPOXOZWASLHV-IBGZPJMESA-N 378.432 2.125 50 40 GEGB COc1ccc2c(c1OC)[C@H]1C=C[C@@](Br)(C2=O)[C@@H]2C(=O)OC(=O)[C@@H]12 254347081 FFQZDMWNNLODPX-XUTPKQTPSA-N 393.189 2.003 50 40 GEGB Cc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)c1O 3658878 VPLCBTQNBWQQSU-AWQFTUOYSA-N 390.237 2.343 50 40 GEGB COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334410 RBPHGEKPNWWUJK-WZUFQYTHSA-N 397.225 2.005 50 40 GEGB COc1cc(C(=O)NCC(=O)N/N=C(/C)c2cccs2)cc(OC)c1OC 4348909 FWKBERXCKPGCPI-JAIQZWGSSA-N 391.449 2.044 50 40 GEGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cc([N+](=O)[O-])ccc4F)[C@@H]13)[C@H]2Br 408683256 HSLZXXBJUPZGSU-ZNOWBECESA-N 399.172 2.243 50 40 GEGB CCCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)CC1 72228525 JIPFCABTHGQOMQ-AWEZNQCLSA-N 377.872 2.254 50 40 GEGB O=C(Cc1ccccc1)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O 101412271 KJOWFEBFHCFHOJ-SFHVURJKSA-N 376.243 2.422 50 40 GEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4798191 OECNKPDSAHULIW-MFKUBSTISA-N 388.427 2.427 50 40 GEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1c(O)nnc(C)c1C 40139444 DNIKWLXVJZFDMW-UHFFFAOYSA-N 383.433 2.306 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 8042759 OIHKPOVMEAKMHY-YBFXNURJSA-N 395.868 2.119 50 40 GEGB Cc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1F 7849298 ROEMSYIAMVPRBY-UHFFFAOYSA-N 384.455 2.107 50 40 GEGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cc(Cl)ccc1O 59034402 YJOPYQDHIVXUDB-GIJQJNRQSA-N 388.840 2.264 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20211957 NGKDWMZVXOVNCJ-YBFXNURJSA-N 395.481 2.464 50 40 GEGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1 2428884 VFWFOVWGIAMSJQ-JLHYYAGUSA-N 376.372 2.196 50 40 GEGB CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 7262434 YJHDBERPKHVPLS-UHFFFAOYSA-N 393.509 2.353 50 40 GEGB COc1cc(C(=O)N/N=C/c2cccnc2)ccc1I 408745939 BBTLXJFCCJPPMU-RQZCQDPDSA-N 381.173 2.459 50 40 GEGB CCc1nc(CN2CCN(C(=O)[C@@]34CC[C@@H](C[C@H]3Br)C4)CC2)no1 252486771 NCQVJHGUSFGNFU-OGHNNQOOSA-N 397.317 2.230 50 40 GEGB CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@@H]2c1cccnc1 691414 RUOFXIGYBJUHDD-SFHVURJKSA-N 379.464 2.065 50 40 GEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)c2ccccc21 1297041 VVVVSDRYYGFSOF-NRFANRHFSA-N 379.416 2.407 50 40 GEGB Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)c1 2135462 BCEGJYQKOASYMN-UHFFFAOYSA-N 377.853 2.363 50 40 GEGB CCOC(=O)CCC1=C[C@@](C)(CCC(=O)OCC)C(C#N)(C#N)C(N)=C1C#N 5285420 ZPHVJSPLNJJWHZ-LJQANCHMSA-N 384.436 2.389 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(OC)cc3)C2=O)cc1 100142064 NTCUUPIUKUDJJA-GOSISDBHSA-N 397.431 2.051 50 40 GEGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(N(C)C)cc2)C1=O 100963463 GDDMIZVNDNJDDK-LDADJPATSA-N 381.432 2.298 50 40 GEGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 3289140 BWIYVVNUKXDRSR-HNNXBMFYSA-N 396.321 2.072 50 40 GEGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12998426 ILUFGXMITRQHCB-ZBEGNZNMSA-N 376.796 2.095 50 40 GEGB CCOC(=O)CCC1=C[C@](C)(CCC(=O)OCC)C(C#N)(C#N)C(N)=C1C#N 5285421 ZPHVJSPLNJJWHZ-IBGZPJMESA-N 384.436 2.389 50 40 GEGB CC(C)=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 4502886 GNTURZSVIJNVQD-UHFFFAOYSA-N 390.421 2.302 50 40 GEGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)N1CCN(c2ccccc2)CC1 4711011 YCLHIFPZJHDECS-FBMGVBCBSA-N 392.459 2.372 50 40 GEGB CC(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408784310 AWMNPWZVOJOUIH-DNTJNYDQSA-N 397.218 2.311 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1F 408778096 AVKZYKPPSHJLFT-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1OC 3177105 KIPVVINZDZJGCV-WSDLNYQXSA-N 389.839 2.166 50 40 GEGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 825486 LIQMDLXKDQMTIS-UDWIEESQSA-N 395.444 2.492 50 40 GEGB COc1ccc(C(=O)Oc2c(Br)cc(C(=O)NN)cc2OC)cc1 226306032 AIDZVEHQRGJVNA-UHFFFAOYSA-N 395.209 2.289 50 40 GEGB O=C(N/N=C/c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1436953 MHSSMACHSISSTF-KGENOOAVSA-N 389.452 2.377 50 40 GEGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C(=O)OC)cc1 8733211 XHAYAFNSOWPUGR-ZDUSSCGKSA-N 385.258 2.482 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 408592478 YKKQBZMEFXRKTF-KGENOOAVSA-N 398.419 2.133 50 40 GEGB C[C@]1(CI)CO[C@@](C)(CI)CO1 4803228 ZFJOCMDMXPIRAY-YUMQZZPRSA-N 396.006 2.421 50 40 GEGB O=C(COC(=O)Cc1ccc(Br)cc1)NNC(=O)c1cccs1 7777414 HAASZVGEHAFPRG-UHFFFAOYSA-N 397.250 2.058 50 40 GEGB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)NNC(=O)c1cccc(C)c1 25210559 GGIBBNCGCXFYGK-ZDUSSCGKSA-N 384.436 2.224 50 40 GEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 4698939 XOEGZRTVOVJANO-FYJGNVAPSA-N 398.444 2.016 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)N1CCCC1 409166931 GPHCUIOFOJKFSH-OEAKJJBVSA-N 396.447 2.245 50 40 GEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2C)n1 409114053 IIDBIRGGAXETPY-CIAFOILYSA-N 399.520 2.481 50 40 GEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 1106595 PNIUENVYMNXSFI-KGENOOAVSA-N 377.452 2.337 50 40 GEGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)Cn1nnc(-c2ccccc2C#N)n1 55074060 JGECJBAGGXVLOK-JJFYIABZSA-N 384.403 2.152 50 40 GEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccc(O)c1 22924934 PQVUVTLUQHKGEC-LPYMAVHISA-N 386.883 2.314 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101301172 WPYDJQGGLBTLBY-LYQCPJKTSA-N 379.290 2.180 50 40 GEGB COc1ccc(-n2nc(C(=O)NN)c(Sc3ccc(C)cc3)cc2=O)cc1 2508511 SOIQQURGWRNVEK-UHFFFAOYSA-N 382.445 2.304 50 40 GEGB O=C(CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1)NCc1ccccn1 4677025 IKMMACGLNKMMMN-UHFFFAOYSA-N 399.838 2.074 50 40 GEGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 6623455 SBXUEIKYDIWKTK-WJPDYIDTSA-N 391.474 2.442 50 40 GEGB Cc1ccc(NCC(=O)N/N=C/C=N/NC(=O)CNc2ccc(C)cc2)cc1 4981896 DNHYETGVGQDQCY-ASIDMNOUSA-N 380.452 2.031 50 40 GEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C)cc2)cc1C 33655604 QBIVIUZOFISFBW-NDENLUEZSA-N 389.477 2.083 50 40 GEGB NC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21 6896911 QJVSSDJQYJKRAK-LSFURLLWSA-N 384.823 2.309 50 40 GEGB C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1 8241275 LUZCIXHYHVKNFA-KUTPLIDGSA-N 376.478 2.381 50 40 GEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)OC2=O 1448365 UCIXLLGDWVFKGP-SJORKVTESA-N 395.253 2.332 50 40 GEGB N#CC(C(=O)COC(=O)[C@H]1COc2ccccc2O1)=C1Nc2ccccc2N1 6056041 SOYFTHIEVGYKGN-GOSISDBHSA-N 377.356 2.211 50 40 GEGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 5657951 XFRRQXUNDCVIPO-LPYMAVHISA-N 395.385 2.279 50 40 GEGB CC(C)(CCl)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823929 VKPNMDHKKCNOBA-UHFFFAOYSA-N 399.886 2.124 50 40 GEGB COC(=O)c1ccc([C@H]2[C@@H]3C(=C[C@@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 4396673 KBLRNVGKQOQYOE-OBZTUIKSSA-N 399.454 2.359 50 40 GEGB COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 5469735 NYLGGFOAGSEHEL-YFHOEESVSA-N 376.756 2.391 50 40 GEGB COC(=O)c1ccccc1N/C=C1\C(=O)N(C[C@H]2CCCO2)C(=O)C(C#N)=C1C 9344085 RYPPOSXXMJFTIC-RQNDZEIBSA-N 395.415 2.157 50 40 GEGB Cc1cc(C)nc(NNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 22234329 ANLAJXQJECIBPM-HNNXBMFYSA-N 377.395 2.269 50 40 GEGB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC(C)C)c1 24607427 CEAAAFHTWGRKNC-UHFFFAOYSA-N 383.514 2.304 50 40 GEGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C 12745105 MPLMQOYHUJSCRN-UHFFFAOYSA-N 390.461 2.315 50 40 GEGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CC2(C)OCCO2)o1 408726415 SQGCXCOVECDOSS-YBFXNURJSA-N 389.364 2.467 50 40 GEGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)NCc1ccc(OC)cc1 408809822 JNRMQMCPZDGWTG-BOPFTXTBSA-N 380.400 2.470 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccn1 40142858 XNTZCHDHYPJNOU-UHFFFAOYSA-N 383.358 2.109 50 40 GEGB Cn1ncc(Br)c1/C=N/NC(=O)c1nc(-c2cccs2)no1 2733779 BQPFDGVGQCLLPT-MKMNVTDBSA-N 381.215 2.058 50 40 GEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3O)o2)cc1 5575950 GPPXZKBLOXKCCY-RGVLZGJSSA-N 385.401 2.064 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] 408995242 BBMWCHSYRRFEQV-XDHOZWIPSA-N 399.363 2.104 50 40 GEGB Cn1c(CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)nc2ccccc21 2633701 KCJCFLSKTXEDFF-UHFFFAOYSA-N 392.337 2.476 50 40 GEGB COc1cc2c(cc1OC)[C@@H]1[C@@H](C)/C(=N\NC(N)=O)C3=C(CCCC3=O)N1CC2 100740666 SSWXYDNWTFYCBC-SCHUELJOSA-N 398.463 2.284 50 40 GEGB biogenic O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C1/CCCN1)c1cccs1 3192050 CPHDXQRWQAGPJN-MRXNPFEDSA-N 395.488 2.384 50 40 GEGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1O 408717977 GHCXWJAOBSAWFP-XMOVILSBSA-N 385.420 2.127 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1OC 3089170 SQTZUXYXYHSTOB-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB COc1cc2c(cc1OC)[C@H](C1C(=O)CCCC1=O)N(C(=O)CCl)CC2 4730546 HQYJASWRSLUXBE-LJQANCHMSA-N 379.840 2.307 50 40 GEGB CC1(C)[C@]2(C(=O)NNC(=O)c3ccc(Br)cc3)CC[C@@]1(C)C(=O)O2 1448364 UCIXLLGDWVFKGP-DLBZAZTESA-N 395.253 2.332 50 40 GEGB Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)c2ccccc2)cs1 40128303 UAZZYSARDHOJDG-UHFFFAOYSA-N 384.417 2.301 50 40 GEGB COc1ccccc1NCC(=O)NNC(=O)COc1ccc2ccccc2c1 12542473 HSAQYZXZEWRMID-UHFFFAOYSA-N 379.416 2.487 50 40 GEGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc(N(C)C)c1 409066775 NXFKJAVWCWFTKU-HAHDFKILSA-N 396.491 2.427 50 40 GEGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC(=O)N(CC2CC2)C1 47435588 OHTDXHQKBYCFKR-JTQLQIEISA-N 386.330 2.315 50 40 GEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H](C#Cc2ccccc2)N1C(=O)c1ccccc1 104395305 IBAKJKSWHOXCJI-SRHPJPHMSA-N 383.403 2.433 50 40 GEGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccs3)nnn2-c2nonc2N)cc1 9463965 SUIWEPWGMOWWKE-DJKKODMXSA-N 394.420 2.033 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc(OC)c1OC 408602499 BXAPFPKRRSQEJV-CQSZACIVSA-N 386.433 2.262 50 40 GEGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(N)=O 409259675 CIRUIBYRHBPSFR-FBHDLOMBSA-N 375.812 2.367 50 40 GEGB COc1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 409009535 AUFINDOFESFTKE-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB CCOC(=O)CN1CSC2=C(C#N)[C@H](c3ccc(OC)cc3)CC(=O)N2C1 20347993 CVWYCVCYSQCYKA-HNNXBMFYSA-N 387.461 2.273 50 40 GEGB Cc1cc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)no1 105987052 KZLOMWQWZBZOHR-OJOKCITNSA-N 392.047 2.409 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)c(OC)c1 107983491 YXKLFXYCUGEGJE-FSJBWODESA-N 394.431 2.298 50 40 GEGB COC(=O)Cn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 109024802 XHOTYRJZMBDBOB-NHDPSOOVSA-N 394.387 2.415 50 40 GEGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(N)=O 409252571 TZPVMPAORVKJAB-NKVSQWTQSA-N 375.812 2.285 50 40 GEGB Cc1ccc(-c2c(C(=O)N/N=C/[C@@H]3CC=CCC3)nnn2-c2nonc2N)cc1 5072047 GGAOIBVAWZNQPD-SRRANQMSSA-N 392.423 2.280 50 40 GEGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1ccc2c(c1)OCO2 66316402 QCJILZNKNFQQLE-FMQZQXMHSA-N 379.166 2.353 50 40 GEGB C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc(I)cc1 408782395 GQVUDOQCABSXIS-MHWRWJLKSA-N 388.205 2.285 50 40 GEGB COc1ccc2c(c1OC)[C@H]1C=C[C@@](Br)(C2=O)[C@H]2C(=O)OC(=O)[C@@H]12 254347076 FFQZDMWNNLODPX-GKDCSQBPSA-N 393.189 2.003 50 40 GEGB COc1ccc(F)c([C@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5408061 IZAPOVZCJVRCTJ-HKUYNNGSSA-N 391.406 2.106 50 40 GEGB CCCCCCn1nc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c2ccccc2c1=O 104353308 IHIRIIKZCIARQB-VKAVYKQESA-N 396.447 2.459 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 2392483 OKQSEFDVSCOHOK-URMYYVDKSA-N 383.379 2.116 50 40 GEGB O=C(NNC(=O)c1ccc(Br)s1)c1ccc2c(c1)OCCO2 6785569 YORAMTSXFWXPGQ-UHFFFAOYSA-N 383.223 2.357 50 40 GEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(F)cc1 20207819 SXIOFYWMVPDWAR-XSFVSMFZSA-N 377.441 2.441 50 40 GEGB COc1ccc(O[C@H](C)C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 36352107 VMSYXTJPLBIWPU-VURRPDKYSA-N 389.364 2.235 50 40 GEGB COc1ccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)cc1OC 5433103 FBFCEYANZKZVND-KRWDZBQOSA-N 392.419 2.127 50 40 GEGB C=CCN1C(=O)CS/C1=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 16958518 QEIRGPFASQRMME-QOCHGBHMSA-N 381.457 2.071 50 40 GEGB O=C(CCN1C(=O)c2ccccc2C1=O)NNc1c(F)c(F)cc(F)c1F 2652078 HQOULQYPOKCAHQ-UHFFFAOYSA-N 381.285 2.372 50 40 GEGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(C)cc2)cc1OC 59516057 IOVURJQAILTAMT-OEAKJJBVSA-N 383.448 2.211 50 40 GEGB Cn1/c(=N\NC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2ccccc21 6224093 BLUPXIAKOZBHGP-XUTLUUPISA-N 379.445 2.355 50 40 GEGB Cc1noc(C)c1S(=O)(=O)NNC(=O)Cc1c(Cl)cccc1Cl 71281246 JTBJVCCQMUTBBA-UHFFFAOYSA-N 378.237 2.150 50 40 GEGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 409008664 ZMMCUMYRAATREP-GDNBJRDFSA-N 395.415 2.374 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6544455 VLSGLPLCZLTQMO-YBFXNURJSA-N 395.481 2.318 50 40 GEGB COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(=O)c2ccsc2)[C@@H]2OC[C@H]3O2)cc1 12420506 WLPRYIDFGAYGMT-JLPWVIBGSA-N 399.428 2.017 50 40 GEGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 12998429 ILUFGXMITRQHCB-MEDUHNTESA-N 376.796 2.095 50 40 GEGB CC(C)NC(=S)NNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 14841431 LJBCRCOWFIBMCM-OCABNYQQSA-N 394.585 2.247 50 40 GEGB CC1(CC(=O)N/N=C/c2ccc(I)cc2)OCCCO1 408719405 MFYFIRZARJLQKL-MHWRWJLKSA-N 388.205 2.285 50 40 GEGB CCCOc1c(I)cc(/C=N/NC(N)=O)cc1OC 13747695 KHFBXQVTERUPKA-VIZOYTHASA-N 377.182 2.091 50 40 GEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCCCNC(N)=O 14939810 RCGLFBMGGZGFTR-UHFFFAOYSA-N 389.481 2.108 50 40 GEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(O)cc1 1882423 OKXJTIUTBGSAPL-DJKKODMXSA-N 376.210 2.035 50 40 GEGB O=C(N/N=C/c1ccccc1O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 4359434 FHJLRXUUTVHMSH-DORSJAEJSA-N 382.376 2.055 50 40 GEGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 7978833 LFDXZBBIPLMCBH-UHFFFAOYSA-N 381.461 2.344 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 12856399 ZRDZLOFCYDCPCT-UHFFFAOYSA-N 391.427 2.430 50 40 GEGB Cn1cc(Br)cc1C(=O)NNC(=O)/C=C/c1nc2ccccc2o1 16270773 RNFSYOIQULKGKT-VOTSOKGWSA-N 389.209 2.403 50 40 GEGB CC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2Cl)CC1 57332430 LNWRGOZGHKSSMK-GFCCVEGCSA-N 384.263 2.127 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 408589944 NPPJQTPDFMESQI-KGENOOAVSA-N 398.419 2.133 50 40 GEGB CN(C)c1nc(-c2ccccc2)c(/C=N/NC(=O)c2ccccc2O)c(=O)o1 2775733 OIKWRKOSBRCXLG-CIAFOILYSA-N 378.388 2.237 50 40 GEGB O=C(COC(=O)c1cccs1)NNC(=O)c1ccc(Br)cc1 7939939 KNRPWAJTGCDAFZ-UHFFFAOYSA-N 383.223 2.129 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 22023560 RMHCAFNQKNCRRY-UHFFFAOYSA-N 384.413 2.234 50 40 GEGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1cc([N+](=O)[O-])ccc1O 408866281 HBFMBZSWIMXLCB-SOFYXZRVSA-N 396.153 2.238 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)o1 408997340 NUOGYCMEVLVVPG-LZYBPNLTSA-N 399.188 2.420 50 40 GEGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 2292409 MXWKZLQGSQQBCY-UFFVCSGVSA-N 375.812 2.124 50 40 GEGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c21 2251144 SBOBAHYTNFHGHH-LJQANCHMSA-N 394.475 2.335 50 40 GEGB O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cccnc1 12791950 TXTLVNAVPGKTAM-UHFFFAOYSA-N 384.399 2.404 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 4690052 DANALGBUYORFRX-FOKLQQMPSA-N 399.378 2.412 50 40 GEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccccc1O 13548969 QNKHTHGRYNUFBF-ODLFYWEKSA-N 381.417 2.189 50 40 GEGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 36142910 DLFQVUPSKHBNCS-VXLYETTFSA-N 389.364 2.237 50 40 GEGB O=C(O)c1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2)CC1 409005739 KRBIBGLASANJRG-HYARGMPZSA-N 379.416 2.387 50 40 GEGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 6510315 OQWQEUDDPWJKPS-INIZCTEOSA-N 379.372 2.251 50 40 GEGB O=C(NCc1ccccc1)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O 23136106 LSUSSOYWZIKAKJ-UHFFFAOYSA-N 394.406 2.180 50 40 GEGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)Cc1csc(N)n1 101539878 MGUSOIXEBJFOOY-UFFVCSGVSA-N 379.873 2.120 50 40 GEGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1 12907838 UTYAGMMPYHLJFX-UHFFFAOYSA-N 387.461 2.073 50 40 GEGB CC(=O)c1cccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 16024516 LPLUBHSFMHOSES-UHFFFAOYSA-N 391.221 2.492 50 40 GEGB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 31553253 JRQUFBDMLVPQQZ-JSGCOSHPSA-N 377.510 2.330 50 40 GEGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 58872935 CXMRWSXBINZUBW-XKZIYDEJSA-N 396.447 2.069 50 40 GEGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)c1 58912251 XIVDODDHDLGTGF-QVHMZZSFSA-N 396.491 2.456 50 40 GEGB NN1C(=O)[C@@]23CCCC[C@]2(C[C@@H](Br)[C@@H](Br)C3)C1=O 104285261 DKZTZBGKIVQFPX-VVJJBPBLSA-N 380.080 2.097 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6882904 HGGFPMUYCWSKBP-AWQFTUOYSA-N 398.400 2.438 50 40 GEGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1 19682611 SZFVEZIUEUVFSE-LFVJCYFKSA-N 393.535 2.329 50 40 GEGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 96835403 SELAOAVRQUNJFI-WQLSENKSSA-N 393.371 2.481 50 40 GEGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(N)=O 409251007 ZKBDLMZAHKKBSG-PDGQHHTCSA-N 393.443 2.215 50 40 GEGB O=C(N/N=C/c1cccnc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1470004 QGHSSTDQNUZDLV-RCCKNPSSSA-N 386.477 2.410 50 40 GEGB CC(C)(C)OC(=O)NNC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 2632837 KRQVCKYDJHQGGX-UHFFFAOYSA-N 380.386 2.034 50 40 GEGB O=C(CCC(=O)N1CCc2ccccc2C1)NNC(=O)c1cc2ccccc2[nH]1 4691426 LANTYLLKVMTECZ-UHFFFAOYSA-N 390.443 2.294 50 40 GEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 408791002 VBNLRPITDMJQJA-UDWIEESQSA-N 389.477 2.432 50 40 GEGB Cc1nc(Sc2ccc(/C=N/NC(=O)c3ccncc3)cc2[N+](=O)[O-])n[nH]1 409192449 XNQSVMBPKZZTIX-GIJQJNRQSA-N 383.393 2.331 50 40 GEGB O=C(/C=C/c1c(F)cccc1Cl)NNC(=O)[C@H]1COc2ccccc2O1 12781723 NKQYZDXDVVRLTB-ROJDOSBLSA-N 376.771 2.480 50 40 GEGB O=C(COc1ccc(I)cc1)N/N=C/c1cccnc1 4699168 BHHVTOFVAUZOJS-RQZCQDPDSA-N 381.173 2.215 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 5567948 IMKMKPXGHCFDAO-GHMZBOCLSA-N 389.235 2.411 50 40 GEGB O=C(NN[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 23343378 XATSADGHFXTNJU-YJBOKZPZSA-N 396.403 2.163 50 40 GEGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1 408589631 MGPNVRIPFSWJCI-LPYMAVHISA-N 399.447 2.484 50 40 GEGB CCN1CC=C2[C@@H](C1)[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 19853175 SYSMEPKWADLCTQ-MJGOQNOKSA-N 387.443 2.218 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 20072132 PRVPRBGVHHQJSA-XDHOZWIPSA-N 399.363 2.104 50 40 GEGB CC(C)CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408846527 NWDJYVJKRHSYKH-GDNBJRDFSA-N 387.461 2.437 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 5697878 HZNXVAJIJSQMOZ-GNNBREFNSA-N 394.855 2.310 50 40 GEGB CC1=CC(=O)[C@H](Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 103667660 MDZPVUVVDJNNRT-HPJJITKJSA-N 377.205 2.468 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 56369460 LDQWNDZSSBPSHI-AWEZNQCLSA-N 376.457 2.339 50 40 GEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2ccccc2Cl)c1O 13896353 TVJYBNUGFCQZET-LSCVHKIXSA-N 379.756 2.492 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc21 9882418 YPHNCTSNLSJEKG-UHFFFAOYSA-N 380.404 2.211 50 40 GEGB O=S(=O)(CCCCCl)NS(=O)(=O)c1ccc(Br)cc1 3190975 BXKJXVUENQNIHJ-UHFFFAOYSA-N 390.708 2.076 50 40 GEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3O)s2)cc1 726388 FJVSMWPNOXGFEH-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(N2CCOCC2)cc1 5119822 QZZADCJVZVOLIS-XQNSMLJCSA-N 382.464 2.484 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2c(s1)CCC2 7379787 OFQAWPUFCASELP-UHFFFAOYSA-N 394.474 2.021 50 40 GEGB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408688013 VMYJKDHJLXXFLH-JNWWKETESA-N 393.237 2.155 50 40 GEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1C 408784236 UVOOMIXYXGLLBF-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1OC 948570 AYLLNZNSPUSYJP-XIJPWPHISA-N 380.404 2.125 50 40 GEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccncc3)s2)cc1 1512760 RYXLFJMHGWAQNL-RGVLZGJSSA-N 380.433 2.187 50 40 GEGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58882916 IIWCVRVDUOAQPW-GEUHTFEZSA-N 395.459 2.433 50 40 GEGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(N)=O 83292772 LQHCITGHKZFQGK-FBHDLOMBSA-N 375.812 2.367 50 40 GEGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2)cc1 409236873 GMOSQAGJPHPQOA-GDNBJRDFSA-N 378.388 2.114 50 40 GEGB CCC(=O)NNC(=O)CSc1nc2cc3c(cc2cc1CC)OCCO3 4849598 UYHTXZUTSSQOCU-UHFFFAOYSA-N 375.450 2.218 50 40 GEGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cnc2s1 1784425 RZYNZFSKNMXFHT-UFWORHAWSA-N 385.405 2.079 50 40 GEGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 4898882 NVZSQUSTRBKANP-XLNRJJMWSA-N 395.463 2.253 50 40 GEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1C 408616066 VJZFWGWAJIOABP-CYBMUJFWSA-N 387.386 2.396 50 40 GEGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)COc1ccc2c(c1)CCC2 40158848 WZLGAXOAKBPXAP-UHFFFAOYSA-N 380.444 2.269 50 40 GEGB O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(Br)cc1 5909016 BTYQWZJHDRQFMD-VXLYETTFSA-N 385.221 2.378 50 40 GEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccccc1 9234264 KXUBJROTTMFJID-VXLYETTFSA-N 394.420 2.115 50 40 GEGB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408683253 HSLZXXBJUPZGSU-BOKPKCGUSA-N 399.172 2.243 50 40 GEGB Cc1ccccc1C(=O)NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408536794 YCONCZARDYBUPZ-JLHYYAGUSA-N 398.806 2.050 50 40 GEGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1 408706516 ANBVCBJDHOXBFV-VXLYETTFSA-N 375.226 2.389 50 40 GEGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2697147 GJFMOKMQZUVEMR-GQEMFKIVSA-N 396.468 2.476 50 40 GEGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)cc1 3225530 PDPCSDCMGWTNBW-DJKKODMXSA-N 383.433 2.283 50 40 GEGB COC(=O)Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1OC 408882478 OJQOKMVCAZMERS-MZYRPWKCSA-N 386.360 2.131 50 40 GEGB CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cccs2)C(C)C)cc1 6509131 HCBCEEPCJUUEAW-INIZCTEOSA-N 389.477 2.362 50 40 GEGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc(N2CCCC2)nn1 84429260 DIZJPZVEGIRBBL-UHFFFAOYSA-N 385.493 2.482 50 40 GEGB NC(=O)N[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1 14081257 KIOKKNIYWDKIIU-DHMWACEASA-N 390.509 2.211 50 40 GEGB Cc1c(Cl)cccc1N1C(=O)C[C@@H](NNC(=O)c2ccc(F)cc2)C1=O 2656236 KHXWFBGIRJJOQA-CQSZACIVSA-N 375.787 2.354 50 40 GEGB O=C(CI)Nc1cc(O)c(C(=O)O)cc1Br 1690747 YTLZGGANKYZQSX-UHFFFAOYSA-N 399.966 2.226 50 40 GEGB COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)[C@H](Br)C2=O 1384206 RBDPNKDLDKESPX-VHSXEESVSA-N 382.132 2.383 50 40 GEGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc2ncsc2c1 6602418 FLLYNODZICIWTQ-UHFFFAOYSA-N 386.458 2.334 50 40 GEGB Cc1ccc(SCC(=O)NNC(=O)c2cccc(C[S@](C)=O)c2)cc1 16482879 PXTJTEMCOUZQHM-RUZDIDTESA-N 376.503 2.427 50 40 GEGB CCCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408708581 QSGVSOLYQYOBDS-WSDLNYQXSA-N 382.420 2.413 50 40 GEGB COc1ccc(C(=O)N/N=C\c2ccc(SCCO)c([N+](=O)[O-])c2)cc1 32124719 OAMZWGRMOKXFAY-WQRHYEAKSA-N 375.406 2.452 50 40 GEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408772353 OIMZHCQVAXXMIO-VXLYETTFSA-N 395.868 2.270 50 40 GEGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(Cl)cc2)C1=O 6451602 BHWUJMBEPKNBOU-YVJZOELXSA-N 398.806 2.263 50 40 GEGB CCCCNC(=S)NNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 7988087 CLLISKXYNUSMOL-UHFFFAOYSA-N 375.498 2.082 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)COc2cccc(C)c2)c(OC)c1 4806052 HZDQLEYSZIKNMQ-HZHRSRAPSA-N 399.447 2.048 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1 6154506 QCNCKVCQCQXODN-CIAFOILYSA-N 386.404 2.410 50 40 GEGB C[C@H](NC(=O)NNC(=O)CN1CCCCCC1=O)C12CC3CC(CC(C3)C1)C2 40071312 XPVDQPLQVMIOKB-HILYYZTDSA-N 390.528 2.324 50 40 GEGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(OC[C@@H]2CCCO2)cc1 53625507 CXPPIYBOYWTMKG-KRWDZBQOSA-N 398.415 2.090 50 40 GEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(F)cc1 58918954 PBNAIRNVAMPIFI-XSFVSMFZSA-N 377.441 2.441 50 40 GEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)cc1 58912125 NUNTZAGNIKIAQO-FSJBWODESA-N 394.431 2.462 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)N3C(=O)[C@@H](C)SC3=C2C#N)cc(OC)c1OC 2420744 STNOTWZSJFZBCD-PSLIRLAXSA-N 398.444 2.203 50 40 GEGB BrCCOB(OCCBr)OCCBr 196066454 DDWZSKAMANZEKS-UHFFFAOYSA-N 382.683 2.206 50 40 GEGB O=C(N/N=C1/C(=O)Nc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1 17124045 PQCAYBGPHMNIJC-UHFFFAOYSA-N 376.294 2.117 50 40 GEGB CCOc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC 32704974 PMJUHLZRFQEGHG-XQSRVYSFSA-N 381.432 2.074 50 40 GEGB Cc1cc(C)c(OCC(=O)OCC(=O)NNC(=O)c2ccccc2F)c(C)c1 6551511 QVESRXWHIAWIFU-UHFFFAOYSA-N 388.395 2.134 50 40 GEGB CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 6843620 IBUMDWBYFINZDY-CIAFOILYSA-N 383.404 2.351 50 40 GEGB COc1ccccc1NCC(=O)NNCC(=O)Nc1ccc(F)c(Cl)c1 6320190 WZEHGEYGGQPNSU-UHFFFAOYSA-N 380.807 2.159 50 40 GEGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408798231 VGRPNFDFUVYDBM-NTEUORMPSA-N 382.372 2.498 50 40 GEGB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3cccc(B(O)O)c3)n2)cn1 585295138 MVNCAGUENRCYTG-OAQYLSRUSA-N 399.263 2.109 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(C)=O 806438 ROUKRBINZSGSEL-QGZVFWFLSA-N 384.388 2.444 50 40 GEGB O=C(COc1ccc(Br)cc1Br)NNC(=O)C1CC1 955295 FKLSCMQGUCZAGE-UHFFFAOYSA-N 392.047 2.148 50 40 GEGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccsc3)nnn2-c2nonc2N)cc1 2349290 XKVSUNXDCJCNHY-UFWORHAWSA-N 394.420 2.033 50 40 GEGB CC(=O)Nc1ccc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 5163889 QPWUHBDZJMVXHO-HAVVHWLPSA-N 393.491 2.307 50 40 GEGB C/C(CNc1nc(N)nc(N)c1/N=N\c1ccc(Cl)cc1)=N/NC(N)=O 104083573 NCZPWXYPBYVVDZ-IAPSZMIOSA-N 376.812 2.166 50 40 GEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CO/N=C/c2ccccc2O)c1 3166136 JQNDDEMWQJSXPU-SSDVNMTOSA-N 399.447 2.401 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1 3553318 FMQWJUVXIMTBHX-UHFFFAOYSA-N 384.388 2.219 50 40 GEGB CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccncc1)C(C#N)=C(N)O3 15083457 DLPQQHHGHWPHGO-LLVKDONJSA-N 376.401 2.116 50 40 GEGB O=C(N/N=C/c1ccc(O)c(I)c1)[C@H](O)c1ccccc1 3153011 XCRHOPYJGGWZEW-IREQLNLFSA-N 396.184 2.181 50 40 GEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/C=C/c1ccccc1 100958924 XIMUPUZPZXTEPU-LQZHIYRYSA-N 382.441 2.022 50 40 GEGB Cc1cc(O)nc(Sc2oc(/C=C(\C#N)C(N)=O)cc2Br)n1 409113012 GDXJXNAJMCSKMJ-XVNBXDOJSA-N 381.211 2.390 50 40 GEGB COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1 408852882 NXEXUKHRLVZZPW-UKWGHVSLSA-N 392.795 2.341 50 40 GEGB C[C@@H](Oc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1)C(=O)O 408850427 NMIZJKXRMNUWMZ-LQFJMUIISA-N 385.420 2.134 50 40 GEGB O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=S)NCc1ccccc1 22698482 DBRUCWYFZIAZJR-UHFFFAOYSA-N 376.463 2.382 50 40 GEGB CN1C(=O)/C(=N\NC(=O)Cc2sc(N)nc2-c2ccccc2)c2ccccc21 6831741 YAWRZMVCFXHHBI-MOHJPFBDSA-N 391.456 2.432 50 40 GEGB CCC(=O)N(NC(=O)c1ccc(C)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1=O 18223076 NQPBPKNXMIEKAT-KRWDZBQOSA-N 397.406 2.350 50 40 GEGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)NN1CCN(Cc2ccccc2)CC1 252498437 RCBRHCMCIPTRTQ-XMHGGMMESA-N 391.431 2.351 50 40 GEGB CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCO[N+](=O)[O-])=C(C)N1 34166671 IDSQDCOFSFXQJA-INIZCTEOSA-N 388.336 2.105 50 40 GEGB biogenic CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 19954663 LZPCFFDBFLWHJY-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(O)cc1O 1433731 XRHBYGIBXNTAKA-QGMBQPNBSA-N 395.209 2.398 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 56369462 LDQWNDZSSBPSHI-CQSZACIVSA-N 376.457 2.339 50 40 GEGB COC(=O)COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1 4544346 QFEYVLQVXONYDP-KEBDBYFISA-N 376.796 2.421 50 40 GEGB O=C(CCCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O 4464074 JLZRXDKIRXEOIZ-VOKWCDJLSA-N 382.420 2.259 50 40 GEGB COc1ccccc1NC(=S)NNC(=O)c1nnn(-c2ccccc2)c1C 4661366 OBUKBVSPYZGHJV-UHFFFAOYSA-N 382.449 2.216 50 40 GEGB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNc1c(F)c(F)cc(F)c1F 13148795 LWXCZNMITJCELJ-RKDXNWHRSA-N 385.317 2.027 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 104445221 JOAFQUMCBXIHOM-ATVHPVEESA-N 383.404 2.282 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1ccco1 7519714 XTRFYQOKEOAONZ-UHFFFAOYSA-N 379.619 2.319 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299405 WKQKSFSQRMXHAF-SGVFRHMUSA-N 379.290 2.180 50 40 GEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 47932872 RKHGZFYCJPHDQT-INIZCTEOSA-N 375.787 2.362 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 12763169 PYRZNBJFXGYDGI-UHFFFAOYSA-N 387.392 2.104 50 40 GEGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)CN1CCCCCC1=O 12905218 BPLJYNOGKOIVGP-GFCCVEGCSA-N 383.901 2.371 50 40 GEGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 109032801 OYJBBOCSUJCGRS-STZFKDTASA-N 382.420 2.433 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1C 12787474 CALOECORFMQULP-UHFFFAOYSA-N 386.271 2.028 50 40 GEGB Cn1ncc(I)c1C(=O)N/N=C/c1ccccc1Cl 994156 PKDMFWSEEBWJCO-GIDUJCDVSA-N 388.596 2.442 50 40 GEGB C=CCn1c(O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(=O)c2ccccc21 2349875 JXVQYTNMYFKIIX-WSDLNYQXSA-N 393.399 2.371 50 40 GEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C)cc2)cc1 4600188 YRKJDPASTAFSFQ-UHFFFAOYSA-N 399.447 2.339 50 40 GEGB CCOc1ccccc1N1C(=O)N=C(O)/C(=C\NNC(=O)c2ccccc2)C1=O 17016321 VDGHZBXFLYOLEJ-WYMLVPIESA-N 394.387 2.327 50 40 GEGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OC)c2)cc1 408815002 SSZYFRIKFBGUES-SXGWCWSVSA-N 396.399 2.391 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409007728 ZFDYOGCGWDEBNL-HZHRSRAPSA-N 393.443 2.476 50 40 GEGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 408615849 SZPKWYOSZQXELM-OAHLLOKOSA-N 381.432 2.126 50 40 GEGB N#CC1(C#N)CC(C=O)=C(N)[C@]1(C#N)CC(=O)c1ccc(Br)cc1 1240254 ZQTLTAPBQSPODG-QGZVFWFLSA-N 383.205 2.381 50 40 GEGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccccc1 4568518 QYRSSGCPZHQAPT-UHFFFAOYSA-N 393.237 2.363 50 40 GEGB C/C(=N\NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 4825226 GERBXONSLSRCJT-QQZPLFJDSA-N 387.823 2.136 50 40 GEGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 33347462 BZRKMNXKEIEAGQ-HPKGMJOESA-N 388.449 2.490 50 40 GEGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(=O)O 33659336 RKAUMQLFWAHTDI-AUWJEWJLSA-N 396.355 2.402 50 40 GEGB COC(=O)c1ccc([C@@H]2[C@@H]3C(=C[C@H]4CC[C@@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 12285098 KBLRNVGKQOQYOE-XWPNQZOQSA-N 399.454 2.359 50 40 GEGB O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 100118436 LWVBHAISALUGHW-CQSZACIVSA-N 377.322 2.272 50 40 GEGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 59459559 FAGFNRVSEJLTCW-FOKLQQMPSA-N 379.338 2.481 50 40 GEGB Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 6552655 XBRDZAQSBGCHAA-UHFFFAOYSA-N 391.767 2.175 50 40 GEGB Cc1ccc(C(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)s1 2636660 FOAATYMBTGRTIY-UHFFFAOYSA-N 396.428 2.171 50 40 GEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@@H](O)c1ccccc1 3148172 CJJFAOXXZFQWEC-AOVQIXHVSA-N 377.194 2.362 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 8427173 NDBOZAKOLREUKO-XDHOZWIPSA-N 399.363 2.104 50 40 GEGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 14139297 RHOLEWWNFJEEBZ-OAHLLOKOSA-N 385.395 2.095 50 40 GEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(O)cc1O 16401332 UEDARGINSGSCPX-CAOOACKPSA-N 394.181 2.461 50 40 GEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408804350 XUMWLULLPKMMQL-PQTFEYQYSA-N 380.242 2.135 50 40 GEGB COc1ccc(/C=N/NC(=O)c2ccncc2)cc1I 1092627 SQDKAGPHZRHQQA-RQZCQDPDSA-N 381.173 2.459 50 40 GEGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1OC 20211307 CMUVHRDRTHKTJQ-UHFFFAOYSA-N 397.497 2.296 50 40 GEGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCN1CCOCC1 26967796 OMEFIPUCZCUFPQ-FYWRMAATSA-N 396.403 2.210 50 40 GEGB Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 12602528 IYLMTOGBPRCFNZ-UHFFFAOYSA-N 378.388 2.231 50 40 GEGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNc1nc2ccccc2s1 12973658 BZLQUUAVULFQPL-LBPRGKRZSA-N 395.444 2.195 50 40 GEGB O=C(NN[C@@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 23343384 XATSADGHFXTNJU-QAPCUYQASA-N 396.403 2.163 50 40 GEGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1 2656266 BZZBHOUYVDDPFR-NSHDSACASA-N 394.250 2.077 50 40 GEGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc(C)c1 59246433 XGMPBNKRGKTKSI-UCQKPKSFSA-N 397.475 2.365 50 40 GEGB CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@@](C)([C@H](O)C3)C4(C)C)CC[C@]1(C)[C@H](O)C2 102777764 KTHKFBXSXFSTAX-GJGHLTEWSA-N 392.540 2.288 50 40 GEGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)c1 12990090 TVZMQIDJODBSSU-UHFFFAOYSA-N 393.808 2.143 50 40 GEGB COc1cc(I)cc(/C=C(/C#N)C(=O)N(C)C)c1OC 408854954 BLNRCWYWYZAEFI-YHYXMXQVSA-N 386.189 2.304 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)cc1 409057466 QLLCBCHWFMFBPJ-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 33592263 SQYYDQOLWPMLAR-VXLYETTFSA-N 389.364 2.393 50 40 GEGB COCCNc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 17248733 RJKLOILBXAGXHG-UHFFFAOYSA-N 392.799 2.381 50 40 GEGB CCOc1ccc([C@@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1302362 FKXPWVPIALHDDX-YLJYHZDGSA-N 389.459 2.497 50 40 GEGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(N)=O 2768476 RKLOTZHFIHTFMF-LICLKQGHSA-N 379.416 2.173 50 40 GEGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)C(=O)NCc1ccco1 8997118 LCONMDKTLMQXGP-ZRDIBKRKSA-N 385.376 2.219 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 104376301 AHLHHTQDEOBAPP-XFXZXTDPSA-N 392.824 2.351 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OC)c1O 408906212 IEQNTFGYLMIHLX-WMRWHDLOSA-N 385.420 2.208 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 20214907 HWUQZSQEUZNRLO-VBEHJTROSA-N 395.506 2.370 50 40 GEGB O=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Cc1ccccc1 4680871 XRVIUFBUTNAONQ-UHFFFAOYSA-N 384.392 2.094 50 40 GEGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3cccc(F)c3)cc2)n1 2639659 BBYVZLKCEAMXFX-UHFFFAOYSA-N 382.395 2.468 50 40 GEGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3C#N)cc2C1 12807628 NMDAAYKFYGXNEM-NSHDSACASA-N 375.475 2.368 50 40 GEGB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)OC(C)(C)C 12891007 AEHDLCSUFYOMLR-AYJWMTRPSA-N 397.497 2.157 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1 9015385 KUHWEALDKWLYIN-LBPRGKRZSA-N 376.434 2.339 50 40 GEGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408543591 PANMRFCNJBHIJJ-DHDCSXOGSA-N 380.356 2.482 50 40 GEGB COc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc2ccccc2c1 4713819 IMWFFAWWYVKGBW-UHFFFAOYSA-N 393.399 2.013 50 40 GEGB O=C(CN1CCCc2ccccc21)NNC(=O)c1cc2ccccc2oc1=O 3284521 VELRRGAMPAGJAS-UHFFFAOYSA-N 377.400 2.007 50 40 GEGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 27313843 RNHLQGMOEGWESJ-IUODEOHRSA-N 394.541 2.353 50 40 GEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 7380287 IZIYRHFODJSJTK-UHFFFAOYSA-N 387.417 2.323 50 40 GEGB Cc1ccc(NCC(=O)NNC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)c1 12528591 QSPWLZBSUFIALQ-INIZCTEOSA-N 398.463 2.178 50 40 GEGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccco2)c2cc(Br)ccc21 20149868 PCDCZEMGRJMXPH-JXAWBTAJSA-N 391.225 2.042 50 40 GEGB CC(C)C[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)N1CCCCC1=O 79068863 XNZBMYFEGZDQCZ-HOCLYGCPSA-N 393.459 2.168 50 40 GEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1cc(Br)ccc12 1073673 IKZWLIXYRBJIKB-QGZVFWFLSA-N 386.205 2.370 50 40 GEGB CCNC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O 2200007 CFGIXALBWNLQPJ-FOWTUZBSSA-N 379.464 2.282 50 40 GEGB COc1cc(N/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc(OC)c1 9422650 PKKMWCNCGBYYPS-VUQQOUJSSA-N 397.431 2.387 50 40 GEGB NNC(=O)c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c1 225502517 HDISCBKGADLMKS-UHFFFAOYSA-N 381.457 2.358 50 40 GEGB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1cccs1 7976323 FBXLVTBVKSLEHW-UHFFFAOYSA-N 379.747 2.043 50 40 GEGB COc1ccc2c(c1OC)[C@H]1C=C[C@@](Br)(C2=O)[C@H]2C(=O)OC(=O)[C@H]12 101642167 FFQZDMWNNLODPX-PKYRLYKPSA-N 393.189 2.003 50 40 GEGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58882318 QJRFZFPETAOBOT-QDBSGRMGSA-N 375.812 2.188 50 40 GEGB CCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 6448855 KQYUAPKQWDVMFL-UHFFFAOYSA-N 395.415 2.146 50 40 GEGB C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1ccc(N)cc1)c1ccc(N)cc1 5890367 JCWWOGKLSNAENO-KOJZRSEWSA-N 394.479 2.402 50 40 GEGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 102095988 OKARQUYKPASIMF-RFLQISBHSA-N 391.252 2.139 50 40 GEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2cccc(F)c2)cc1 12747719 HZAUNRPOTAZSTR-ZDUSSCGKSA-N 376.384 2.218 50 40 GEGB Cc1ccc(C(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1 8475298 MJBJYWBCPDXASC-YPJCMCBPSA-N 393.233 2.292 50 40 GEGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13629391 USQZGOMPGZJCLQ-HNNXBMFYSA-N 383.448 2.387 50 40 GEGB NC1=NC(c2ccccc2)=N[C@]1(NS(=O)(=O)c1ccccc1)C(Cl)Cl 5602737 CJWOHZZNAVRORN-INIZCTEOSA-N 397.287 2.283 50 40 GEGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 9308341 IHSLMPDWEVOBDU-DJKKODMXSA-N 394.420 2.033 50 40 GEGB CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccncc1)C(C#N)=C(N)O3 15083459 DLPQQHHGHWPHGO-NSHDSACASA-N 376.401 2.116 50 40 GEGB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCSSCC1 95435102 YCQVUJTVORKQDO-AWEZNQCLSA-N 392.543 2.352 50 40 GEGB CC(C)N1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 103918664 YOJOGXQYVAOXEI-JCMHNJIXSA-N 379.342 2.177 50 40 GEGB COc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 633608 OBOYJEBHEOGXRX-HKUYNNGSSA-N 375.432 2.059 50 40 GEGB Cc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 937567 FXUOLRWSBGHUOS-WVISFHDSSA-N 395.488 2.437 50 40 GEGB Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915738 JCLVNDXZWHKEKC-FYJGNVAPSA-N 398.419 2.269 50 40 GEGB Cc1nnc(NNC(=O)c2cnn(-c3ccccc3C(F)(F)F)c2C)nc1O 12935229 LHFXZURIKROOPI-UHFFFAOYSA-N 393.329 2.155 50 40 GEGB Nc1ccc(-c2ccc(NC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3Cl)cc2)cc1 575425489 ZCUKAJRMPVUETP-HOTGVXAUSA-N 379.869 2.462 50 40 GEGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 5774771 JPRFKHNCLKTGLU-KEBDBYFISA-N 385.367 2.134 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc(OC)c2OC)c1 107576254 WKWFGZWCHPEVOU-GRSHGNNSSA-N 389.364 2.393 50 40 GEGB CN(CC(=O)Oc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 3312893 CRDXFCJRTGVETD-UHFFFAOYSA-N 384.797 2.474 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)cc1 408833437 KGEQYKDSQQPFIH-AOOMUMSASA-N 382.464 2.148 50 40 GEGB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(O)cc1O 36612633 FJTQPXMSVMSIBW-FPYGCLRLSA-N 391.836 2.100 50 40 GEGB O=C(N/N=C1\C(=O)N(C2CSC2)c2ccc(Br)cc21)C1CC1 223763041 VLDRYKBNNNIFMW-LGMDPLHJSA-N 380.267 2.141 50 40 GEGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccccc1 19797783 SSABZTKLLBAJEQ-HZHRSRAPSA-N 397.475 2.447 50 40 GEGB COc1cccc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1O[C@@H](C)C(=O)O 409248937 LZPUPSXSRNNIGP-XMOVILSBSA-N 385.420 2.377 50 40 GEGB COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1 19682604 XSYVMFSFALQTDP-HZHRSRAPSA-N 380.492 2.272 50 40 GEGB CCOc1cc(C(=O)NNC(=O)c2cnc(C)cn2)cc(OCC)c1OCC 26958015 LUWRZHFAUIXGSA-UHFFFAOYSA-N 388.424 2.056 50 40 GEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(C#N)c1 7383538 AOYUSLZZACNWEE-AWEZNQCLSA-N 395.440 2.488 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 408614666 GBHGCIYNEUSTKF-MRXNPFEDSA-N 381.432 2.126 50 40 GEGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3081173 PEIRPDFNHFRPGY-DNTJNYDQSA-N 378.747 2.267 50 40 GEGB C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1cc(O)ccc1O 102404961 NMYOHVWIJCTUPR-CJLVFECKSA-N 382.464 2.150 50 40 GEGB COc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 27771043 DGJMMZIERZFLCJ-ZDUSSCGKSA-N 387.823 2.163 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 107636032 AIDNZCZWFJIQRO-UMUMUWHJSA-N 380.404 2.458 50 40 GEGB C[C@H]1CN(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cn2)C[C@H](C)O1 47526096 NPZHYOWNJBJZTI-STQMWFEESA-N 388.855 2.423 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccc(F)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409054663 AXQPZVGXYUPKLN-MYKKPKGFSA-N 393.353 2.455 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 6579925 FWLJSNRCUXFCST-WSDLNYQXSA-N 389.839 2.132 50 40 GEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)cc1 408796343 OUMWEMOMYHYRSF-XNTDXEJSSA-N 380.356 2.482 50 40 GEGB Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CSc2ccccc2F)c1 6787867 FZZHUQDCLWFWDV-UHFFFAOYSA-N 389.452 2.112 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC 2055545 UOTOSUJHUUNQAY-XMOVILSBSA-N 385.420 2.040 50 40 GEGB COc1ccccc1CC(=O)NNC(=O)[C@@H](C)Nc1nc2ccccc2s1 14083253 RTCKASCMNZFFMV-GFCCVEGCSA-N 384.461 2.495 50 40 GEGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1cccc(C(F)(F)F)c1 5771283 SKXJEDOOUVFDRM-ZVBGSRNCSA-N 379.294 2.492 50 40 GEGB COc1cccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 31783425 JUEDCHBTIRZWRW-YVNNLAQVSA-N 396.472 2.496 50 40 GEGB CC(=O)c1ccc(OCCCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 8937849 KAGWYSJBZPGDKY-UHFFFAOYSA-N 395.415 2.146 50 40 GEGB COc1cc(/C=N/NC(=O)CC#N)c(Br)c(Br)c1O 59140327 KRFIIASBDRUHOZ-PJQLUOCWSA-N 391.019 2.290 50 40 GEGB CS(=O)(=O)N1CCCC[C@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 44248735 LPJSFSJUSFACAI-SFHVURJKSA-N 385.489 2.369 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408777129 VRSCVCMKPSVBHR-DEDYPNTBSA-N 393.440 2.141 50 40 GEGB CCCOc1ccc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC 33345874 PAISOZOKUFSTNP-JAIQZWGSSA-N 382.424 2.302 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OC 15384226 WKVHERDRVSNVQL-GFCCVEGCSA-N 376.384 2.462 50 40 GEGB CC(C)(C)NC(=S)NNC(=O)c1cccc(I)c1 8301645 KIIRKQMJGDJTJF-UHFFFAOYSA-N 377.251 2.199 50 40 GEGB COc1cc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc(OC)c1OC 26687513 PBPXBCRGCVOSAJ-UHFFFAOYSA-N 392.433 2.198 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCCC2 12755380 FHVIIHZOBHYONG-UHFFFAOYSA-N 394.474 2.021 50 40 GEGB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)NCc3ccccc3)c12 17080658 HACJRJXNDGYUMR-UHFFFAOYSA-N 394.504 2.463 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(C)(=O)=O 408774090 AJHUJCRNLHWDGY-HMMYKYKNSA-N 389.477 2.392 50 40 GEGB C=CCn1c(S[C@@H](C)C(=O)NN)nnc1-c1ccc(Br)cc1 66324373 KQFDRDIUYIEOIK-VIFPVBQESA-N 382.287 2.364 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccccc1O 408789477 LGDPORBZJSHYLI-HMMYKYKNSA-N 389.477 2.315 50 40 GEGB O=C(CCc1nc2ccccc2s1)NNC(=O)[C@H]1COc2ccccc2O1 3362413 SMACUWIRBOLYCF-OAHLLOKOSA-N 383.429 2.216 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCO1)c1c(-n2cccc2)sc2c1CCSC2 32259699 KJNOYTTYPMODNZ-LBPRGKRZSA-N 377.491 2.268 50 40 GEGB CC(C)CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 16575222 FPIOKFDXUCNGTF-GDNBJRDFSA-N 394.431 2.214 50 40 GEGB N#CC(C(=O)COC(=O)c1ccc(NC(N)=O)cc1)=C1Nc2ccccc2N1 3290787 OIJUEMFEXXTIAG-UHFFFAOYSA-N 377.360 2.176 50 40 GEGB CC(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408773573 VFSLLZMDISPZTR-DNTJNYDQSA-N 397.218 2.311 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 4548265 JLVAENQZVDNYHW-UHFFFAOYSA-N 389.477 2.340 50 40 GEGB O=C(NNC(=O)c1ccccc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 4733102 QWAPPRIJDZVMER-RGEXLXHISA-N 386.411 2.314 50 40 GEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cccc(O)c1 725425 MEYYLBYLWUESTG-YBFXNURJSA-N 381.417 2.189 50 40 GEGB CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 6542843 LYEXVUVPJQWVGV-DEDYPNTBSA-N 389.477 2.028 50 40 GEGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 12546047 NEZQTXBEURLIES-KRWDZBQOSA-N 396.495 2.000 50 40 GEGB C/C(=N\NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1 6077597 VYDGJHRPMUKTFP-SSDVNMTOSA-N 389.341 2.294 50 40 GEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc2c(c1)OCCO2 1437597 DCOFPPWFEQLNRR-VXLYETTFSA-N 387.348 2.147 50 40 GEGB CCc1ccccc1OCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 3621329 NMWUSCMZKLICPB-UHFFFAOYSA-N 388.420 2.115 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)ccc1O 59515455 BTRYFKDYEYFDFY-DJKKODMXSA-N 377.784 2.152 50 40 GEGB COc1ccc(/C=N/NC(N)=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408881432 NBZDQVSFTRDXDO-CAOOACKPSA-N 375.297 2.306 50 40 GEGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33619009 XFMBDZWBHWLBPB-NDENLUEZSA-N 385.376 2.230 50 40 GEGB CC1=NN(c2ccc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2)CC1 40144407 BBCWURQCHFHZKW-UHFFFAOYSA-N 390.241 2.438 50 40 GEGB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1c(F)c(F)cc(F)c1F 102403723 LWXCZNMITJCELJ-DTORHVGOSA-N 385.317 2.027 50 40 GEGB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1 8412643 CDGPAHKMBZYAIE-UHFFFAOYSA-N 397.431 2.108 50 40 GEGB O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)N/N=C/c1cc(Cl)ccc1O 1686321 INAJEDJILHVFMM-OKXCLTPOSA-N 395.202 2.005 50 40 GEGB COc1cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc(OC)c1OC 727738 ALRRKUXHCSHPNK-UHFFFAOYSA-N 388.420 2.169 50 40 GEGB CCCOc1ccc(C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)cc1OC 12747752 UCVQSGPJRYBCRB-UHFFFAOYSA-N 395.415 2.400 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)C[C@H](C)NC(=O)c2ccccc2)cc1C 13006985 OKRXMHRCXIFHRB-INIZCTEOSA-N 383.448 2.038 50 40 GEGB CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2cc(F)ccc21 13629012 PCNKZENKECKYPH-NRFANRHFSA-N 389.342 2.281 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccccc1F 408972427 TYWBGDUCLKUDMW-DHRITJCHSA-N 393.422 2.395 50 40 GEGB C#CCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OCC 408869987 RLMTVXNLNCIHAX-IZZDOVSWSA-N 396.184 2.094 50 40 GEGB CC/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccc(OCC(N)=O)cc1 32578438 FCCYMMDRFOCBMQ-RCCKNPSSSA-N 375.812 2.454 50 40 GEGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 33714619 VOTUMZUEIGUCKD-JXAWBTAJSA-N 377.353 2.045 50 40 GEGB COc1cc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 5868021 ZFGPOBQMKASPLV-IUOVYFEOSA-N 386.404 2.393 50 40 GEGB COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408615087 LQYXQZPKSGKWIO-MRXNPFEDSA-N 381.432 2.126 50 40 GEGB COc1cc(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)ccc1OC(C)=O 2738941 OEIGURRLJGMSHU-DQAKUKQTSA-N 381.392 2.077 50 40 GEGB O=C(COC(=O)CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(F)cc1 6345110 MVNVJOBYCWTBGI-UHFFFAOYSA-N 383.379 2.244 50 40 GEGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1C 58912244 QISYRGGOUQWDAV-QVHMZZSFSA-N 396.491 2.456 50 40 GEGB COc1ccccc1NCC(=O)NN[C@H](C)C(=O)Nc1cccc(Cl)c1 3322033 OTTUBUHUUUKHAO-GFCCVEGCSA-N 376.844 2.409 50 40 GEGB Cc1cc(C(=O)N/N=C/c2cc(I)cc(C)c2O)[nH]n1 9668301 XPGMOCOQEUTMIW-GIDUJCDVSA-N 384.177 2.101 50 40 GEGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c1OC 33729762 KQLIEHQPJBJXMA-GRSHGNNSSA-N 386.364 2.334 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1ccc(Cl)nc1 6510545 GEHGPJAPLQMCBE-UHFFFAOYSA-N 392.202 2.355 50 40 GEGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccs2)sc2c1CCC2 2418682 HVTYUKTUMLKBTB-CAOOACKPSA-N 377.447 2.174 50 40 GEGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9089452 QJRGSBAKRDFJPT-STQMWFEESA-N 379.825 2.137 50 40 GEGB NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1 34690411 DZQIDIWIXYFISH-FMCGGJTJSA-N 377.400 2.233 50 40 GEGB COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1C 6601996 RHDGEWJEVUCZNW-GFCCVEGCSA-N 376.384 2.380 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 58911676 ARNPOAWQSVCWEI-YDZHTSKRSA-N 384.480 2.314 50 40 GEGB Br[C@H]1C[C@@H]2C[C@H](C[C@@H](Br)C23OCCO3)C12OCCO2 100012706 OSPRNWJVZBLALK-CKIJPRSSSA-N 398.091 2.430 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 101304285 RZWPXYNQCQPCJG-LWPKIGSASA-N 393.317 2.176 50 40 GEGB O=C(N/N=C\C=C\c1ccccc1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104064843 WMJCKEYQBWMJLW-DFBITEFZSA-N 398.335 2.146 50 40 GEGB CN(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1 6544392 LJKHDKXZVLKEBZ-FYJGNVAPSA-N 397.456 2.316 50 40 GEGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)COc2ccccc2C#N)c1 6886897 NZBOTORWOQMUOU-UHFFFAOYSA-N 379.416 2.364 50 40 GEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2O)C(C)C)cc1 408760261 VOPYGCXNAUXJPS-BAOGCXAUSA-N 389.477 2.154 50 40 GEGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(F)cc1 408883100 TZGRVNBQMWNFEQ-UDWIEESQSA-N 381.404 2.271 50 40 GEGB CCn1ncc(/C=N/NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1F 252492954 MYFIWJYYTAZHRH-RMOCHZDMSA-N 380.733 2.370 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)c1 13922941 WFJPDAABQGDEQH-KEBDBYFISA-N 391.811 2.455 50 40 GEGB CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)Nc2ccccc21 11617377 GIANEEVMJKPKOR-XDJHFCHBSA-N 382.445 2.417 50 40 GEGB Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)Oc2[nH]nc(C)c21 943758 XWVJDGPFIDMSNC-INIZCTEOSA-N 386.209 2.114 50 40 GEGB CCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 6507619 DFGDWWJOKPOOAQ-CIAFOILYSA-N 380.404 2.105 50 40 GEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(F)cc1 409342282 AZJKRELDNFXMCD-AWQFTUOYSA-N 376.344 2.313 50 40 GEGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1 9883840 OWSGZBBRGLRPJK-CYBMUJFWSA-N 383.379 2.275 50 40 GEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1C 408615591 QZVZMLAFJBNRGR-OAHLLOKOSA-N 396.403 2.026 50 40 GEGB CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCO[N+](=O)[O-])=C(C)N1 34166672 IDSQDCOFSFXQJA-MRXNPFEDSA-N 388.336 2.105 50 40 GEGB biogenic CC(C)C[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 5701159 ZQWAVNLDRUQLQW-LLVKDONJSA-N 391.419 2.106 50 40 GEGB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNC(=S)Nc1ccccc1 2561974 DUBZLZQFOBANMK-UHFFFAOYSA-N 383.882 2.132 50 40 GEGB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)c2cccnc2)cc1 12909894 ZLICGTVMKVVQBT-UHFFFAOYSA-N 399.410 2.164 50 40 GEGB Cc1ccc(C(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6016958 WFHSQSDHKUNKQG-UHFFFAOYSA-N 390.399 2.110 50 40 GEGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccccc2-n2cccc2)s1 6507558 RRRANVYPADRWQH-UHFFFAOYSA-N 382.445 2.038 50 40 GEGB CCOc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 6651802 KMBDMKXOIRMUFD-UHFFFAOYSA-N 380.404 2.315 50 40 GEGB Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101303575 CAUNOJBFFFMJKF-DRYFDLRVSA-N 393.317 2.489 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 408911854 OQJQEOWNZQYNPS-VYVDHXHBSA-N 383.404 2.192 50 40 GEGB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408688018 VMYJKDHJLXXFLH-MBIARJLFSA-N 393.237 2.155 50 40 GEGB CN1C(=O)NC(=O)/C(=C\Nc2ccc(SC#N)cc2Br)C1=O 408529713 HROQIWWPTDOYGH-VMPITWQZSA-N 381.211 2.026 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1 408973450 MZZAIASVNUFTDK-ORWNMUSCSA-N 381.432 2.170 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)cc1 3109120 DHXUWVKFERQHFI-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc(Br)cc1C 6160795 XMBWOTZQEAKYPW-GHXNOFRVSA-N 389.209 2.259 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)c1 6624877 CAHZOXTVOGXSAR-HAVVHWLPSA-N 396.491 2.366 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c(C)c1 8940224 VOWCEZPCXNNWIC-UHFFFAOYSA-N 386.271 2.028 50 40 GEGB COc1ccc(C(=O)NNC(=O)CN(C)Cc2ccc(Cl)s2)cc1OC 14226269 AKQOFGXTABVVKI-UHFFFAOYSA-N 397.884 2.312 50 40 GEGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 14244903 WPHWRVMEAWHUHF-UHFFFAOYSA-N 390.461 2.379 50 40 GEGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)c1ccccc1 28214422 QKVFCGUMKQYPMW-BOURKTIISA-N 383.448 2.428 50 40 GEGB CCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)CC)cc1 8733075 ZERLPQYZJDNUKT-ZDUSSCGKSA-N 385.258 2.482 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101301171 WPYDJQGGLBTLBY-VGNHOVESSA-N 379.290 2.180 50 40 GEGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1O 13282925 YEVZXDJIYPWESY-LSHDLFTRSA-N 398.419 2.042 50 40 GEGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 8110199 FPGYZCQSOGCWJB-OOXYOOLHSA-N 397.431 2.216 50 40 GEGB COc1c(O)cc(/C=N/NC(=O)Cn2nc(C)cc2C)cc1Br 6189181 LMVPOBNDCNPLJV-REZTVBANSA-N 381.230 2.127 50 40 GEGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc[nH]c3=O)cc2)cc1 23417931 YWSOIWIZNAVNJN-UHFFFAOYSA-N 383.429 2.273 50 40 GEGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(Cl)cc1 5458759 JLSGUEKVDDQYFU-ZVBGSRNCSA-N 395.810 2.472 50 40 GEGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 68933357 WQPSLVRUVGBODZ-GFCCVEGCSA-N 387.823 2.163 50 40 GEGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2sccc2C)cc1OC 59435573 BADCDMWOOLPSJH-CIAFOILYSA-N 389.477 2.273 50 40 GEGB N#CCCN(NC(=O)c1ccccc1Cl)C1=NS(=O)(=O)c2ccccc21 4681129 MSOFHNMHZLVAPY-UHFFFAOYSA-N 388.836 2.350 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 409183461 SKUBCIYRXVTTNW-RGVLZGJSSA-N 386.364 2.284 50 40 GEGB NCCCNCCSSC/C=C\CSSCCNCCCN 5812567 AHJBLLRYTZBWJE-UPHRSURJSA-N 384.706 2.182 50 40 GEGB CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1-c1ccco1 1364319 TXOZTTUVELRFDU-UHFFFAOYSA-N 385.449 2.420 50 40 GEGB CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1 7384376 CIBOHYOKSORCAN-HNNXBMFYSA-N 392.477 2.479 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OC 6507614 GZQRKUMYMKZAIY-CIAFOILYSA-N 380.404 2.105 50 40 GEGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1 408802357 ZLINYJXGFQUSBZ-UKTHLTGXSA-N 378.226 2.411 50 40 GEGB C=CCc1cc(/C=N\NC(=O)c2ccccc2O)cc(OC)c1OCC(=O)O 408816215 JDBHMLBPAIRILJ-NHDPSOOVSA-N 384.388 2.357 50 40 GEGB O=C(O)/C=C\C(=O)N(c1ccccc1)N(C(=O)/C=C\C(=O)O)c1ccccc1 31623597 SFSJZZQISLEFKX-XSYHWHKQSA-N 380.356 2.249 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C(/C)c2cccs2)S(C)(=O)=O)cc1 4852444 TZTVOFNGTFJBNP-AQTBWJFISA-N 395.506 2.453 50 40 GEGB CC1(C)[C@H](Br)C(=O)C(Br)C(=O)[C@H]1Br 100014222 UWWRZBDXGUUGIN-RNFRBKRXSA-N 376.870 2.455 50 40 GEGB COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@@H](Br)[N+](=O)[O-] 1905540 PWNPQGKYCNNKRX-ONGXEEELSA-N 394.605 2.384 50 40 GEGB COc1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1OC 408973668 NWJMCSBZQMXLAD-QQZPLFJDSA-N 381.432 2.170 50 40 GEGB Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(OCc3csc(C)n3)c2)n1 16200922 RBETYNHFZYCHHO-UHFFFAOYSA-N 399.476 2.305 50 40 GEGB N#C/C(=C\c1cn(CC(=O)NC2CC2)c2ccccc12)C(=O)NC[C@H]1CCCO1 6644402 ZOWUMBRTWWMGJW-SPQRHKFCSA-N 392.459 2.122 50 40 GEGB Cc1cc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)[nH]n1 8026352 JBJCZYNUFZKQCS-UFFVCSGVSA-N 392.371 2.430 50 40 GEGB O=C(CSc1ncccn1)N/N=C/c1cc2c(cc1Br)OCO2 408828539 HPLWNDTUMZYNQB-NGYBGAFCSA-N 395.238 2.210 50 40 GEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 59434174 LIRGJNBPTVACCM-FYJGNVAPSA-N 382.420 2.018 50 40 GEGB Cn1cc(I)c(C(=O)N/N=C/c2ccccc2Cl)n1 2354259 BNURSYJFPYOXPZ-GIDUJCDVSA-N 388.596 2.442 50 40 GEGB O=C(NCc1ccco1)C(=O)NNC(=O)c1ccccc1CCc1ccccc1 12973019 KDWQRNJQNUOUOR-UHFFFAOYSA-N 391.427 2.142 50 40 GEGB C/C(=N\Nc1ncnc2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 6784383 RYGDYPDITHDTPK-KZVLYIKRSA-N 377.364 2.476 50 40 GEGB CCOc1ccc(NC(=O)CCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5873226 OBTRWCMBJWOKLU-UHFFFAOYSA-N 380.404 2.277 50 40 GEGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1OC 408767109 IVZZDSKJHKTYBO-HYARGMPZSA-N 383.448 2.300 50 40 GEGB CC(=O)N1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(Br)ccc21 100069339 PTTMFCGXJGKYDT-CYVLTUHYSA-N 386.205 2.476 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)o2)cc1 2296293 DTRYDDDPSJHOSN-RGVLZGJSSA-N 382.449 2.440 50 40 GEGB Cc1ccc(S(=O)(=O)C(=C=[N])/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 627249706 VFJAQPPHADGKOE-UHFFFAOYSA-N 399.473 2.312 50 40 GEGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cn(C)c2ccccc12 12537332 TWQWGLXPILIJAU-UHFFFAOYSA-N 388.405 2.018 50 40 GEGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 409354073 XQLYWVRHXAJHOY-AWQFTUOYSA-N 376.344 2.313 50 40 GEGB Cc1ccc[n+]([C@@H]2[C@@H](c3ccccc3[N+](=O)[O-])C(C#N)=C(S)N[C@@]2(C)O)c1 95481008 GTDKYJDJOOCBLX-SCTDSRPQSA-O 383.453 2.492 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 19954170 FOSZDJHRKHSUGV-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COc1ccccc1Oc1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C 5218708 HMMBOPBHQLPBAI-UHFFFAOYSA-N 384.392 2.260 50 40 GEGB O=C(O)/C=C/C(=O)N(c1ccccc1)N(C(=O)/C=C/C(=O)O)c1ccccc1 1848255 SFSJZZQISLEFKX-PHEQNACWSA-N 380.356 2.249 50 40 GEGB COc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)cc(Cl)c1OC 6510443 DTOWVUCOHKNVEK-UHFFFAOYSA-N 382.775 2.336 50 40 GEGB O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7388103 AWZVYOYEEYSQHK-UHFFFAOYSA-N 392.330 2.277 50 40 GEGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 12292593 VHSLPHJBVNJSNK-INIZCTEOSA-N 383.448 2.006 50 40 GEGB CCOc1ccc(OCCCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1 12531395 MXJXQHOIVUVANN-UHFFFAOYSA-N 386.452 2.307 50 40 GEGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1-n1cccc1 5701436 JVBNFSCTHYJJEQ-UHFFFAOYSA-N 397.456 2.102 50 40 GEGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cncn1-c1ccc(F)cc1 7050407 UUKPEXWGGQWIAM-UHFFFAOYSA-N 394.815 2.288 50 40 GEGB O=C(NCCc1cccs1)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 98055385 XEEBNHCTDPBLES-RGEXLXHISA-N 381.454 2.311 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409139940 PIHDBOQNQUHHBV-DEDYPNTBSA-N 393.440 2.141 50 40 GEGB COC(=O)Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1OC 408882483 OJQOKMVCAZMERS-YEWRBRKMSA-N 386.360 2.131 50 40 GEGB O=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1O 96893117 GDAYGUBBWCQJRP-PXNMLYILSA-N 382.157 2.466 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccccc1 5380491 FOOMWLGMOJFQLD-YDZHTSKRSA-N 383.448 2.497 50 40 GEGB O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 1403811 FRIXORPREKBJEZ-UHFFFAOYSA-N 375.425 2.396 50 40 GEGB CC(C)Oc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1 2428209 LCIGOIAKGQKWHM-IBGZPJMESA-N 380.448 2.286 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(OC)cc1OC 6646218 RNGUOWGUHJHYIX-UDWIEESQSA-N 383.360 2.388 50 40 GEGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc2c(c1)OCCCO2 16270758 CCQIZVJVRYZCKN-UHFFFAOYSA-N 394.225 2.024 50 40 GEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCC(=O)O 59334735 GHMPWZYBDYGXID-WZUFQYTHSA-N 397.225 2.306 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408906831 ISXNUHDXORZMSI-ITRAFESCSA-N 375.450 2.000 50 40 GEGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)Nc1ccccc1 409011014 FIUXGDFQUVLUTM-STZFKDTASA-N 382.420 2.080 50 40 GEGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccccc2)c(=O)c(C#N)c1C 409051722 BLGJEJVIVFLVGH-QRVIBDJDSA-N 387.399 2.185 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409247284 MBAVKUULWFZQHA-MUBJSKCLSA-N 386.404 2.249 50 40 GEGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 12546046 NEZQTXBEURLIES-QGZVFWFLSA-N 396.495 2.000 50 40 GEGB NNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 107790556 BGEYRQPPTVBUFG-UHFFFAOYSA-N 390.248 2.163 50 40 GEGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1 20210230 KKZJRVVFZXVSQX-SFQUDFHCSA-N 381.479 2.063 50 40 GEGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1(CC(=O)O)CCCCC1 12800851 DOAFYUVLLIMFDP-CQSZACIVSA-N 387.436 2.288 50 40 GEGB CCCc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 7131750 SIQVXNMEMIAZMI-UHFFFAOYSA-N 384.461 2.448 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 19954742 DKONDADVDSLYLJ-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)c1cccs1 2637361 FZZBNTJPCGBVDJ-UHFFFAOYSA-N 388.323 2.265 50 40 GEGB CC(=O)Nc1ccc(C(=O)N/N=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 106257477 UPQDMTSDYHGXKQ-UZQMFHLOSA-N 377.404 2.400 50 40 GEGB O=C(N/N=C/c1cccnc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408857241 JYWMOJODSVONFC-DORSJAEJSA-N 392.868 2.038 50 40 GEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409264293 DHHGFNBWHOKMOU-IKMPRTQCSA-N 396.447 2.069 50 40 GEGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCC3)C1 30578092 VPKPWLLKJDRACS-CYBMUJFWSA-N 379.482 2.256 50 40 GEGB COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 102627403 QOXMZEGHRJLCKD-JEAUKYMQSA-N 396.237 2.213 50 40 GEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1 12734523 OARXNLXADJABTR-CQSZACIVSA-N 382.395 2.169 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20207430 XSNOKJWEJANADK-LDADJPATSA-N 377.491 2.325 50 40 GEGB CCc1sc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1C 8294057 GRIABZVPERGPOU-UHFFFAOYSA-N 380.491 2.406 50 40 GEGB COc1ccc(-c2n[nH]c3c2[C@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)cc1 1067258 XNZHRILXXCVZEY-OAQYLSRUSA-N 385.383 2.410 50 40 GEGB COc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 11656562 AHDQZFRSQCSTED-CHWSQXEVSA-N 376.384 2.217 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc(OC)c1OC 408602498 BXAPFPKRRSQEJV-AWEZNQCLSA-N 386.433 2.262 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)cc1 6451295 OAQLNTIHMKAQMA-MRXNPFEDSA-N 381.432 2.208 50 40 GEGB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCBr)c(OC)c1 5789529 NHSSHMLCRHXLHP-AWEZNQCLSA-N 384.226 2.383 50 40 GEGB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NNC(=O)c1cccs1 7981345 SDDKXBDQVQNRAW-UHFFFAOYSA-N 385.401 2.330 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408729263 DCFMXAOUCFAPKN-KEBDBYFISA-N 391.811 2.081 50 40 GEGB Cc1nc2ccc(NC(=S)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)cc2s1 575422139 MLNWXBDLYZAJRW-MWLCHTKSSA-N 375.928 2.296 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 58916189 PCCIRSCTYADUNT-YBFXNURJSA-N 395.868 2.265 50 40 GEGB C/C(=N/NC(=O)CSc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2 408974923 FVNXRPKGIVAVEH-UNOMPAQXSA-N 396.432 2.024 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 408970298 FNBHJSVBQZYBRX-YDZHTSKRSA-N 384.480 2.314 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12604786 SDBHSQRDKZAOMN-UHFFFAOYSA-N 391.449 2.495 50 40 GEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OC 59333509 KUARPVRYOSZSPH-YHYXMXQVSA-N 386.189 2.304 50 40 GEGB O=C(CSc1cccc[n+]1[O-])NNC(=O)CC12CC3CC(CC(C3)C1)C2 84494273 KMUJQZSPURPZGI-UHFFFAOYSA-N 375.494 2.166 50 40 GEGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 5774748 FNNJWEFVNLJCHP-GIJQJNRQSA-N 386.260 2.422 50 40 GEGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 8103761 QWNCZIGTSNJMMV-CQSZACIVSA-N 377.441 2.050 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc2ccccc12 20214980 AVGLMYPCHXHUCP-FYJGNVAPSA-N 382.445 2.151 50 40 GEGB COc1ccc(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 5202540 CYDVHPFZAVQNHV-UHFFFAOYSA-N 388.221 2.473 50 40 GEGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 6510517 JIIRREMBOPHORN-UHFFFAOYSA-N 399.472 2.030 50 40 GEGB NS(=O)(=O)c1cc(C(=O)N/N=C2/CCCc3ccccc32)ccc1Cl 96714003 SIIVTUMUKPNNDK-HKWRFOASSA-N 377.853 2.458 50 40 GEGB COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC2CCCC2)c(F)c1 95996555 NFIZEFQTEGQFHB-LBPRGKRZSA-N 383.420 2.351 50 40 GEGB CC(C)C[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)N1CCCCC1=O 79068856 XNZBMYFEGZDQCZ-GDBMZVCRSA-N 393.459 2.168 50 40 GEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCC2CCCCC2)cc1 8353044 IZSPZLLSSXWUOQ-UHFFFAOYSA-N 395.525 2.123 50 40 GEGB Cn1ncc(Br)c1C(=O)N/N=C/c1cccc(OC2CSC2)c1 998633 NOYZIXIUVWUJPF-UBKPWBPPSA-N 395.282 2.441 50 40 GEGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)c1 58912248 XIVDODDHDLGTGF-OGBFJMLUSA-N 396.491 2.456 50 40 GEGB O=C(/C=C/c1ccc(F)c(Cl)c1)NNC(=O)[C@@H]1COc2ccccc2O1 12770620 VCZYQRDBFOMYMZ-BVBGJJFLSA-N 376.771 2.480 50 40 GEGB CC[C@H](C(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 12785011 QYRJVTWXNZJDTA-INIZCTEOSA-N 390.443 2.298 50 40 GEGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OC)cc3OC)CC2=O)cc1 409169551 QTZWPIFMJUPXHE-SRMCNWIXSA-N 397.431 2.216 50 40 GEGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc([N+](=O)[O-])c1O 409351135 WJAXBQGLBKUARJ-AWQFTUOYSA-N 376.344 2.400 50 40 GEGB CCc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)cc1 6830184 SRQZERZNAKBNJX-PTNGSMBKSA-N 394.387 2.196 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 409008592 YKHMOQIBXMNFRM-KGENOOAVSA-N 397.435 2.119 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 5840566 MWFOLYCIDAGJGK-OBQMCUGOSA-N 388.464 2.257 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20207351 DMXWAOUGJQBFBF-XSFVSMFZSA-N 389.477 2.392 50 40 GEGB COCCNC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914359 BVEUJSAFTXUNRT-UKWGHVSLSA-N 384.219 2.466 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 14092695 RQNKCTUIRBFYIA-UHFFFAOYSA-N 388.323 2.057 50 40 GEGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Cl)ccc2OC)cc1 4544278 NLJLLRVIMYDKRC-SSDVNMTOSA-N 389.839 2.166 50 40 GEGB COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(OC)ccc2OC)C1=O 5021819 ZSIUQNHNUKWYPF-VBKFSLOCSA-N 385.420 2.245 50 40 GEGB CSCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NNc1ccccc1 6425179 CPXZSUSONKKSLT-KRWDZBQOSA-N 393.534 2.371 50 40 GEGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1 6441039 OIHYKNKLAASZQF-OAHLLOKOSA-N 399.472 2.167 50 40 GEGB CCOC(=O)C(=N\Nc1cccc(C(F)(F)F)c1)/C(N)=C(/C#N)C(=O)OCC 104278288 CVDDQGLJBWQSBL-LTJRKUDBSA-N 398.341 2.336 50 40 GEGB COc1cc(C(=O)NNC(=O)c2ccc(Br)o2)cc(OC)c1OC 672632 RDAVPFZDHJDHLQ-UHFFFAOYSA-N 399.197 2.143 50 40 GEGB Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1ccc2ccccc2n1 40058200 AABDKVGDUPVGME-UHFFFAOYSA-N 390.447 2.356 50 40 GEGB O=NN(CCCl)C(=O)N[C@H]1CCCC[C@H]1NC(=O)N(CCCl)N=O 5133916 PNPXJHBSAKUNFW-AOOOYVTPSA-N 383.236 2.161 50 40 GEGB O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 5672779 VDYYEZJDPJEDMJ-UHFFFAOYSA-N 378.797 2.198 50 40 GEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc2cc([N+](=O)[O-])ccc2s1 4088520 CNVXBWQGTVEFRV-CQSZACIVSA-N 399.384 2.411 50 40 GEGB O=C(NNC(=S)NC(=O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 6506021 HQJBPVHMBMRCCO-UHFFFAOYSA-N 375.064 2.346 50 40 GEGB O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C1/CN2CCC1CC2 97957938 CUWNHKJBXCRJQP-XDOYNYLZSA-N 381.416 2.198 50 40 GEGB O=C(NNC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccccc1Cl 58369574 SZIFCUMYNDRHJL-UHFFFAOYSA-N 394.262 2.461 50 40 GEGB Cc1cc(S(=O)(=O)NNC(=O)Cc2cccs2)ccc1Br 8772293 NGUPYCUTWAATHT-UHFFFAOYSA-N 389.296 2.371 50 40 GEGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)c1 408773306 JYQMRIQFHROSNL-YBFXNURJSA-N 395.868 2.265 50 40 GEGB CCOC(=O)N1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 5488998 FVCRZUKSGKLSSE-GHRIWEEISA-N 377.466 2.216 50 40 GEGB CCN(CC)c1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c(O)c1 15938491 LNPSZOXTRFCZMQ-VDBFJBARSA-N 394.475 2.218 50 40 GEGB N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NC1CC1 890539 IIUIGTAZGNMYSY-KAPURRDVSA-N 392.459 2.122 50 40 GEGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6204269 CIOYJMZFRMBCNP-SBUZPKSBSA-N 398.806 2.263 50 40 GEGB O=C(Cc1ccc(Br)cc1)NNC(=O)c1n[nH]c2c1CCCC2 12627251 GUOGWAPCYOYOAJ-UHFFFAOYSA-N 377.242 2.055 50 40 GEGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 6130486 DDRROHRAMZDTSC-RGVLZGJSSA-N 395.375 2.324 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)ccc21 14258889 HJWMZZDXRMNIRK-HXPMCKFVSA-N 394.431 2.354 50 40 GEGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 4656964 QYNKUNSVIJRXIU-UHFFFAOYSA-N 384.392 2.392 50 40 GEGB Cc1cc(C(=O)CCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)s1 6652648 SNQZMSRVAYEJBX-QGZVFWFLSA-N 388.445 2.315 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1O 19954533 OCXQWFCIYYXMTP-XMHGGMMESA-N 375.450 2.007 50 40 GEGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc4ccccc4cc3O)C2=O)cc1 102304186 HLSALYVSBDVKIB-SFHVURJKSA-N 389.411 2.420 50 40 GEGB C=CCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1OC 33410129 PGAUZVDWOXWQHF-YHYXMXQVSA-N 384.173 2.257 50 40 GEGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)N1CCN(c2ccccc2)CC1 59333363 HRARRFAOGKBUJZ-JXAWBTAJSA-N 391.427 2.406 50 40 GEGB Cn1cc(Br)c(C(=O)N/N=C/c2cccc(OC3CSC3)c2)n1 998621 WWOAWXJTEAZYRV-UBKPWBPPSA-N 395.282 2.441 50 40 GEGB COc1cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)ccc1OC(C)C 1258865 AFVFKERUOLCQJA-KEBDBYFISA-N 382.424 2.301 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1OC 59515923 MMBIKRFSQQRQLC-MTJSOVHGSA-N 388.420 2.422 50 40 GEGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 12543697 FNARZWQJIPGOJQ-INIZCTEOSA-N 386.496 2.085 50 40 GEGB CCc1nc2ccccc2n1CC(=O)NNc1nc2ccccc2c(=O)n1CC 10322813 DEROVUWQEAKPTE-UHFFFAOYSA-N 390.447 2.472 50 40 GEGB CN1C(=C(C#N)C(=O)COc2ccc(S(C)(=O)=O)cc2)N(C)c2ccccc21 45526438 VFSVADUUYBBQQK-UHFFFAOYSA-N 397.456 2.359 50 40 GEGB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408680768 GMAQJCLTHULOGK-PTEOKISQSA-N 381.182 2.104 50 40 GEGB COc1cc(OC)c(/C=N/NC(=O)CC2(C)OCCO2)cc1Br 408718735 CPJPDICLQVLQOA-RQZCQDPDSA-N 387.230 2.070 50 40 GEGB O=C(CCCl)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 20121427 UWJCTOAXTGWJTQ-UHFFFAOYSA-N 394.928 2.137 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 4458626 CPQOLRVAMMXRSN-SRZZPIQSSA-N 388.355 2.013 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 840348 LSSXSJAGSXMWSL-UHFFFAOYSA-N 379.756 2.340 50 40 GEGB Cc1ccc(-n2nnnc2SCC(=O)NNC(=O)C2CCCCC2)cc1C 4883068 ANYCPLCFVXOVCG-UHFFFAOYSA-N 388.497 2.099 50 40 GEGB CCOC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2c(C)cccn2c1=O 5576708 FYTFXCWEYSHTIJ-AAHBMTESSA-N 396.447 2.087 50 40 GEGB CC(C)N1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Cl)ccc21 79494545 VOXHVSVEBMMNTP-HXUWFJFHSA-N 398.850 2.219 50 40 GEGB CCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2)c2ccccc21 6497186 NINRQXXGDQUXFN-CLCOLTQESA-N 378.432 2.084 50 40 GEGB O=C(COc1ccc(F)c(Cl)c1)NNC(=O)Nc1ccc2c(c1)OCO2 13322187 IYISZHROYWOECN-UHFFFAOYSA-N 381.747 2.440 50 40 GEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)CCl)s1 408731677 OTXQERDNWSWVIG-QGMBQPNBSA-N 390.856 2.198 50 40 GEGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)c(O)cc1Br 1070032 WJPFDDUVWHOVRJ-REZTVBANSA-N 381.230 2.127 50 40 GEGB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NNC(=O)c1cccnc1 10157612 XYYGXEONHRWELH-UHFFFAOYSA-N 389.375 2.140 50 40 GEGB CC(=O)N[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1 55082727 BMMOXRSCTRSIPH-KRWDZBQOSA-N 377.510 2.473 50 40 GEGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 2241333 SKFDSGOOQPVMJH-SFHVURJKSA-N 397.431 2.039 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)c2ccc(O)cc2O)ccc1Br 5925249 GDBIIMNRXDRZTG-UHFFFAOYSA-N 395.209 2.009 50 40 GEGB CN(CC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)OCc1ccccc1 36076714 LXOALOHXUDYQQC-VXLYETTFSA-N 386.364 2.019 50 40 GEGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc(OC)c2c(c1)OCO2 2250948 KIUYVRKVPPQLNS-AWEZNQCLSA-N 392.795 2.288 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3O)CC2)cc1 409005398 IIPDLHWHHZPWIP-HYARGMPZSA-N 381.432 2.403 50 40 GEGB CC1(C)C(C#N)=C(SCC(=O)NC2(C#N)CCCCCC2)NC(=O)[C@@H]1C#N 12775554 OMFPCFZSCBWWOG-ZDUSSCGKSA-N 385.493 2.483 50 40 GEGB O=C(COC(=O)/C=C/c1cccc2cccnc12)NNC(=O)c1ccccc1F 12935371 QJNYWWUAVLYZOK-ZHACJKMWSA-N 393.374 2.392 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 5714683 JBGJRNPQTNBKKY-AWQFTUOYSA-N 377.853 2.447 50 40 GEGB COc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc(OC)c1OC 2638759 HXIOUFHQCPFLSL-UHFFFAOYSA-N 388.420 2.169 50 40 GEGB IC[C@H]1CSC[C@H](CI)O1 4722380 YWQVHJJYYCHWNQ-WDSKDSINSA-N 384.020 2.357 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 101314044 OCVCQIYQFZGVDP-HMILLTCMSA-N 397.280 2.319 50 40 GEGB CCOc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 58822910 XXWHWSPIBQHDFJ-YBFXNURJSA-N 377.422 2.164 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 20209720 ICAWAPSXJBCQBQ-YBFXNURJSA-N 395.868 2.265 50 40 GEGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br 408753601 JRVRMWUYPQNIIT-MDWZMJQESA-N 379.210 2.140 50 40 GEGB O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc(Br)cc1 66091664 PKASWVSHOPGDDL-UHFFFAOYSA-N 394.250 2.104 50 40 GEGB COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Br)c2)ccc1O 36239888 HAEMATZCASXJKX-NVMNQCDNSA-N 392.209 2.252 50 40 GEGB COc1cccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2cccc(OC)c2)c1 1868753 PYHROCOMCDIQPA-HOFJZWJUSA-N 396.447 2.475 50 40 GEGB O=C(/C=C/c1ccc(Br)o1)NNC(=O)[C@H]1COc2ccccc2O1 15795282 JDIWZPATKHYBTE-STMXVASLSA-N 393.193 2.043 50 40 GEGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21 12416263 MNNAJXXRMJIIRB-ICFOKQHNSA-N 392.440 2.032 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(N)s2)cc1OCC 1791621 SNRSNOGJVVBONS-CAOOACKPSA-N 381.483 2.160 50 40 GEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 30577359 HRJVGEMBQLIQLM-AWEZNQCLSA-N 389.839 2.175 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 8728756 JRDORIZIBFHVAY-KRWDZBQOSA-N 375.469 2.177 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 59445040 JXFNIXRQNBPHEE-DJKKODMXSA-N 376.210 2.077 50 40 GEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(Cl)cc1 5082109 BUMDVAFMPJRSHM-DJKKODMXSA-N 388.819 2.163 50 40 GEGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccc1C 7404235 JLEXSXBWAZGZBS-UHFFFAOYSA-N 399.266 2.389 50 40 GEGB CC(=O)N/N=C/c1cc(Br)c(O)c(I)c1 409014598 XMLIDRGNVGLJTB-UUILKARUSA-N 382.983 2.229 50 40 GEGB COC(=O)c1ccc([C@H]2[C@@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 100638276 KBLRNVGKQOQYOE-XLNTUCKNSA-N 399.454 2.359 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 2628368 XVVMNDNNOJNIEC-UHFFFAOYSA-N 397.391 2.113 50 40 GEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccs2)c(C)c1 6607076 NOYUYDKHIMVBMP-VCHYOVAHSA-N 379.507 2.444 50 40 GEGB CCOc1ccccc1N1C[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1=O 15502243 JPAIHNFCTLSHHP-CYBMUJFWSA-N 384.392 2.490 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccccc1 408984574 IHGSUOHGNGIJSB-ZVHZXABRSA-N 375.432 2.256 50 40 GEGB C[C@H](C(=O)NNC(=O)[C@@H](C)n1cnc2ccccc21)n1cnc2ccccc21 40158864 QQFNYAMVFXOJOR-ZIAGYGMSSA-N 376.420 2.356 50 40 GEGB COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(Cl)c(F)c1)C(F)(F)F 2769549 LUJYDMVOZOROBZ-KCJUWKMLSA-N 378.105 2.491 50 40 GEGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c21 2251145 SBOBAHYTNFHGHH-IBGZPJMESA-N 394.475 2.335 50 40 GEGB Cn1c(C(=O)NNC(=O)CCC(=O)N2CCCCC2)cc2cc(Cl)ccc21 4682607 IYNJGAXFWJCJTG-UHFFFAOYSA-N 390.871 2.385 50 40 GEGB COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 408615848 SZPKWYOSZQXELM-HNNXBMFYSA-N 381.432 2.126 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1098466 JEEFBBULIUFINI-UDWIEESQSA-N 385.376 2.230 50 40 GEGB CN(CC(=O)NNC(=O)c1ccccc1Cl)Cc1ccc2c(c1)OCCO2 26853591 ORWODNSBUKZIGJ-UHFFFAOYSA-N 389.839 2.004 50 40 GEGB O=C(CCl)Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1 2518407 BVFQMLKWFKTFLS-UHFFFAOYSA-N 383.839 2.434 50 40 GEGB O=C(N/N=C/c1ccncc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408884508 UIJJLNZPCGCTQI-DORSJAEJSA-N 392.868 2.038 50 40 GEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccc(O)cc1 31830154 JFMOCYXCLGRJHN-XKZIYDEJSA-N 386.883 2.314 50 40 GEGB COc1cccc(CC(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)c1 8984399 XTPODOWMZHAJHJ-GFCCVEGCSA-N 384.461 2.495 50 40 GEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 4698926 HPAWXCDJVHTFGD-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB C=CC(=O)N[C@H](C(=O)OCC)[C@H](OC(=O)CCBr)c1ccccc1 4719000 YDOGTQXEDWPXAI-JKSUJKDBSA-N 398.253 2.290 50 40 GEGB CCOC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H](Br)CC)c1 8733218 HTPTWWQUQMMUCQ-ZDUSSCGKSA-N 385.258 2.482 50 40 GEGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccccc1O 13532596 AXZAORNPYTWRRN-NKVSQWTQSA-N 382.445 2.193 50 40 GEGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@@H]1COc2ccccc2C1 14086577 NZLOPZOKRUOYPB-JSGCOSHPSA-N 396.472 2.495 50 40 GEGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(F)cc1 408679990 FSWKQEIMGMOHSF-ORIIPUBOSA-N 397.196 2.123 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C)c1 17079475 ASDLHMFHTFFBIH-HUUCEWRRSA-N 389.452 2.061 50 40 GEGB COc1ccccc1/C=N/NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 408907489 PEHWOXVMPCSNFO-ITRAFESCSA-N 375.450 2.000 50 40 GEGB COc1cccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccccc2)c1 408779850 MDRSHMJDWGAWPR-UHFFFAOYSA-N 375.450 2.403 50 40 GEGB O=NN(CCCl)C(=O)NC1CCC(NC(=O)N(CCCl)N=O)CC1 43322426 NLVXTJQYQLAKKJ-UHFFFAOYSA-N 383.236 2.161 50 40 GEGB COCCCNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794195 DEUITVUJILCYDN-UHFFFAOYSA-N 383.367 2.069 50 40 GEGB O=C(NNC(=S)NCc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 6253326 UERLZEYEHGPRKT-UHFFFAOYSA-N 385.449 2.478 50 40 GEGB COc1cc(SC)ccc1C(=O)NNC(=O)Cc1nc2ccccc2n1C 5267592 HPCXAKDJXRGJCU-UHFFFAOYSA-N 384.461 2.308 50 40 GEGB CC(C)[C@@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408530531 MBSQQYOBRILUQZ-CQSZACIVSA-N 397.273 2.463 50 40 GEGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NC1CC1 890535 IIUIGTAZGNMYSY-SPQRHKFCSA-N 392.459 2.122 50 40 GEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNc1ccc(Br)cc1C 16282747 FXNGGCSEXCAPGX-JYRVWZFOSA-N 375.226 2.397 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(OC)c1OC 3085391 KUINAHWMJCNOEG-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 4898993 AKQNQMNOGCUBEC-XLNRJJMWSA-N 395.463 2.253 50 40 GEGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5390639 LJPGSCHJVBPOIT-LPYMAVHISA-N 397.435 2.302 50 40 GEGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(O)cc(O)c2)cc1OC 5634385 UOBUFMUVQCQIAD-FBHDLOMBSA-N 382.376 2.269 50 40 GEGB O=C(CSc1nnc(Cc2ccccc2)o1)NNC(=O)Cc1ccccc1 6240432 HCSCMEMXWWIPIH-UHFFFAOYSA-N 382.445 2.143 50 40 GEGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2C1 7962696 XVGXPABEURQFJZ-YPMHNXCESA-N 398.550 2.095 50 40 GEGB Cc1ccc(NCC(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)cc1C 33785636 HWGZJMQQHCSUQY-YSURURNPSA-N 377.448 2.306 50 40 GEGB C#CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334211 MBTQERKNMLMVPM-WQLSENKSSA-N 380.185 2.298 50 40 GEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1 100522622 WWXQSCJXSAEMFY-ZVHZXABRSA-N 396.447 2.466 50 40 GEGB CCn1c(NNC(=O)/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O 32904538 MBODOCWWTNGFTG-CSKARUKUSA-N 378.388 2.302 50 40 GEGB CN(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 6544642 UJTAQIBWKPBZRC-SRZZPIQSSA-N 399.394 2.476 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 59434374 WEERSGKIWFYNNE-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB Cc1ccc(C(C)C)cc1OCC(=O)NNC(=O)CN1CCCCCC1=O 14200272 DFFMPHRNMHYINE-UHFFFAOYSA-N 375.469 2.047 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1[N+](=O)[O-] 4691545 YYGPEAXRWZTYEP-UHFFFAOYSA-N 390.783 2.428 50 40 GEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(=O)OC)cc3)[C@H]2C1 19852137 OIRJQSQBJHUUCV-RBUKOAKNSA-N 387.443 2.218 50 40 GEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@H](O)c1ccccc1 3148174 CJJFAOXXZFQWEC-RIEVCORGSA-N 377.194 2.362 50 40 GEGB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 44248733 LPJSFSJUSFACAI-GOSISDBHSA-N 385.489 2.369 50 40 GEGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NCCc1c[nH]c2ccccc12 408952669 ORVRQIBUJOBVJW-BOPFTXTBSA-N 388.427 2.298 50 40 GEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1C 408615590 QZVZMLAFJBNRGR-HNNXBMFYSA-N 396.403 2.026 50 40 GEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccc(F)cc3)CC2=O)c1 32755509 BFOMJYAWFZEWBF-MRXNPFEDSA-N 383.423 2.131 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)cc2)c(Br)c1 5927148 MBKFNJLCOCKOFG-UHFFFAOYSA-N 379.210 2.303 50 40 GEGB C/C=C/C(=O)NC(=S)NNC(=O)C(Oc1ccccc1)Oc1ccccc1 3664169 CIZJUOWVMWQHOY-XNWCZRBMSA-N 385.445 2.069 50 40 GEGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 4721530 IIPQIGLECFYSTQ-XKGLVTQASA-N 378.388 2.240 50 40 GEGB Cc1ccc(C(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1 8475297 MJBJYWBCPDXASC-KTLMPCCSSA-N 393.233 2.292 50 40 GEGB COc1ccccc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccccc1 19950042 FUXXSGILJGPPDN-UHFFFAOYSA-N 375.450 2.403 50 40 GEGB COc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1O 96591911 SPKNSMJXYCNDAA-IDUWFGFVSA-N 397.172 2.164 50 40 GEGB Cc1cc(-c2ccnnc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1529012648 RKYRWQBKSRLNLX-UHFFFAOYSA-N 386.408 2.214 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)O)c3)ccc21 2735647 XPCVDEANGXHIKD-RIYZIHGNSA-N 376.372 2.121 50 40 GEGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 107910187 IUBMINRZWJRNSE-XMOVILSBSA-N 385.420 2.040 50 40 GEGB CCn1c(NNC(=O)Cc2ccc(OC)cc2OC)nc2ccccc2c1=O 11159344 JRWRKMGGLSXFBW-UHFFFAOYSA-N 382.420 2.119 50 40 GEGB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NNC(=O)c1ccccc1 3536620 IJWLIWZAHVJBCX-UHFFFAOYSA-N 389.411 2.342 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc2c(c1)OCO2 13001473 OMWBIQNFIILZDP-UHFFFAOYSA-N 390.399 2.165 50 40 GEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(N(C)C)c1 409250526 QTJZGXSHYBKPJE-PXLXIMEGSA-N 382.464 2.362 50 40 GEGB CCOc1c(Br)cc(/C=N/NC(=O)C2(C)OCCO2)cc1OC 408726665 OZKHFAQFJOUMRM-RQZCQDPDSA-N 387.230 2.070 50 40 GEGB CCCC(CCC)=NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 16636884 AYMJPAYZNXQWTC-UHFFFAOYSA-N 396.513 2.338 50 40 GEGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4508519 SWSUBTAURXBGOZ-GXDHUFHOSA-N 383.360 2.453 50 40 GEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CCCNC(=O)c3ccco3)cc2C1 12742216 WMWVAVVEDICHCV-GFCCVEGCSA-N 389.477 2.437 50 40 GEGB CC(=O)N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21 6719111 WGHJQYRSNVOXNU-FCZGTTMTSA-N 377.448 2.453 50 40 GEGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(C)c(Cl)c1 223467542 KRTMERAIGGBKAN-UHFFFAOYSA-N 397.884 2.151 50 40 GEGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccc2ccccc12 6244067 HXNRJVTUEXCMAQ-FSJBWODESA-N 375.384 2.335 50 40 GEGB COc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@H](c4ccco4)[C@@H]3C2=O)cc1 102376175 HCRWTKWANUUJFG-OWCLPIDISA-N 381.413 2.371 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 59516294 YODLICRKWMPHIF-KEBDBYFISA-N 391.811 2.455 50 40 GEGB Cn1cc(Br)cc1C(=O)NNC(=O)/C=C/c1ccc2c(c1)CCO2 28720005 SABSSMXAKHSHCN-HWKANZROSA-N 390.237 2.197 50 40 GEGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1 5164245 JBCVYOSTYNCPLN-INKLHFNDSA-N 381.432 2.203 50 40 GEGB CCN1C(=O)/C(=C\C=C2/SCCN2CI)OC1=S 17424490 HLOUTLRQXDZNLL-CIONDUKHSA-N 396.275 2.317 50 40 GEGB COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1OC 6944932 GLLZFFZVVALKON-YGNAEDSMSA-N 388.395 2.471 50 40 GEGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)CCNC(=O)c1ccccc1 55120997 WFYHXCWQGDKUBE-UCQKPKSFSA-N 391.431 2.157 50 40 GEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(OC)cc1 59490238 PAMHNKCMQRHPRO-UDWIEESQSA-N 393.440 2.141 50 40 GEGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 58882638 YPEHQQHOZUAUGM-UUYOSTAYSA-N 399.447 2.371 50 40 GEGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 7428705 ORQSQAGDIRFTAJ-UHFFFAOYSA-N 376.434 2.272 50 40 GEGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1O 722440 YLLCFLNBXCBXAU-UHFFFAOYSA-N 379.210 2.303 50 40 GEGB O=S(=O)(OCCCl)c1ccc(Cl)c(S(=O)(=O)OCCCl)c1 1724581 JHNYGXYZYKRKOP-UHFFFAOYSA-N 397.685 2.228 50 40 GEGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)cc1OC 5433100 FBFCEYANZKZVND-QGZVFWFLSA-N 392.419 2.127 50 40 GEGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 7428930 OEJVDLUQILKDGS-KRWDZBQOSA-N 390.461 2.070 50 40 GEGB C/C(=N\NC(=O)c1sc(N2CCOCC2)nc1C)c1ccc2c(c1)OCO2 8498696 HHYDUCJWJICDFS-RGVLZGJSSA-N 388.449 2.171 50 40 GEGB O=C(COc1cccc2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1 12942369 NRIBVFJDYIGPOB-LJQANCHMSA-N 378.384 2.206 50 40 GEGB COc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1 23109321 IXKVIKAUNCUPIE-UHFFFAOYSA-N 395.390 2.119 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 6328935 WGHIBIVHVANLGI-UHFFFAOYSA-N 393.465 2.429 50 40 GEGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1O 409007592 YBIAWGIJEZMWAH-HYARGMPZSA-N 381.432 2.403 50 40 GEGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58882322 QJRFZFPETAOBOT-HMASQMOLSA-N 375.812 2.188 50 40 GEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 47932873 RKHGZFYCJPHDQT-MRXNPFEDSA-N 375.787 2.362 50 40 GEGB COc1ccc(C(=O)NN[C@H]2C3=C(CCCC3)C(=O)N2C[C@@H]2CCCO2)cc1 4600172 HGVQVILWIYQBIQ-QFBILLFUSA-N 385.464 2.148 50 40 GEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2C1 15513794 ZQOINYCILRVTIU-SNVBAGLBSA-N 377.491 2.125 50 40 GEGB CCOC(=O)Cn1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 5444372 MLCXFEZYTWOEQW-SFHVURJKSA-N 377.404 2.454 50 40 GEGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3085571 DVOSHKOTUWYBKA-REZTVBANSA-N 394.727 2.391 50 40 GEGB CN(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 6544651 XMQBVXIGXORGLJ-VXLYETTFSA-N 383.832 2.250 50 40 GEGB CC(C)N1CCC2=C(C1)[C@]1(C(=O)Nc3ccccc31)C(C#N)(C#N)C(N)=C2C#N 705809 TZTFBVFWQYGYQU-JOCHJYFZSA-N 384.443 2.071 50 40 GEGB CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 107878716 ZUUWZTOCWKSJGN-FWLJRARNSA-N 378.384 2.354 50 40 GEGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1 20060366 KSRKKDDLALGNRB-YBFXNURJSA-N 395.868 2.265 50 40 GEGB Cc1cc(C)c(NCC(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)c(C)c1 10893004 IAFXPYWMPRVXFR-UHFFFAOYSA-N 392.463 2.125 50 40 GEGB COc1ccc(C)cc1S(=O)(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 9156788 QIHGCBZDOIOQML-UHFFFAOYSA-N 386.433 2.017 50 40 GEGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(OC2CCCC2)cc1 102204714 YXCBAYFFEZSVOO-USJZOSNVSA-N 384.432 2.292 50 40 GEGB O=C(NCc1ccccn1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914447 QQHJQQIAKAVLLB-UUYOSTAYSA-N 393.359 2.016 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)c1cc(-c2ccccc2)on1 14141428 APKAFUQYMYCICG-UHFFFAOYSA-N 379.344 2.243 50 40 GEGB Cc1ccc(C(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 408756826 UGHIIBKZPGPMCQ-SJJOQSKNSA-N 394.456 2.083 50 40 GEGB C[N+](C)(C)CC(=O)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccccc1O 5832276 WBSJTVLPYRKLAX-LJQANCHMSA-O 382.440 2.221 50 40 GEGB CC1(CC(=O)N/N=C/c2cc3cc([N+](=O)[O-])ccc3nc2Cl)OCCO1 408727533 FHLXXWFYWSWPSU-GIJQJNRQSA-N 378.772 2.400 50 40 GEGB O=C(CI)Nc1cc2[nH]c(O)nc2cc1Br 408537024 YVDBKFZQJCBLHF-UHFFFAOYSA-N 395.982 2.405 50 40 GEGB COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)ccc1O 409004085 AKNICNCOKGHTRF-HYARGMPZSA-N 381.432 2.403 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299391 WKQKSFSQRMXHAF-VGNHOVESSA-N 379.290 2.180 50 40 GEGB O=C(NNc1nc(-c2ccncc2)no1)c1ccc(OC[C@H]2CCCO2)cc1 58265432 PLOOGFICVFJEOO-MRXNPFEDSA-N 381.392 2.446 50 40 GEGB N#CC1=C(S)N[C@H](c2cccnc2)[C@@](C#N)(C(N)=S)[C@H]1c1cccnc1 20459118 OBBLUHIVXCKYME-DAYGRLMNSA-N 378.486 2.366 50 40 GEGB COc1ccc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1OC 33682569 RWLONCOLJKICLT-FBHDLOMBSA-N 375.812 2.237 50 40 GEGB O=C(CI)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408529396 JLSPNAOGIGUHRZ-UHFFFAOYSA-N 386.193 2.242 50 40 GEGB COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cn(CC(N)=O)c2ccccc12 48512813 TWLWRYVUXNZULZ-BMYBCIMUSA-N 393.447 2.086 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 831989 UUOMNXGHCAAASP-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB N#C/C(=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)O 12504718 QVKSNNDFNVQWID-WDZFZDKYSA-N 389.209 2.180 50 40 GEGB in-vitro O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 101303181 PGXUHOMQFORHLZ-OXLCNLPBSA-N 393.317 2.176 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1c(F)cccc1F 408615405 PXQPIJOHVOMJAR-SNVBAGLBSA-N 393.777 2.432 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408777469 AAXOJLOZLDFVIL-UDWIEESQSA-N 393.440 2.141 50 40 GEGB N#CC1=C(S)N[C@@H](c2cccnc2)[C@@](C#N)(C(N)=S)[C@@H]1c1cccnc1 33790015 OBBLUHIVXCKYME-VKJFTORMSA-N 378.486 2.366 50 40 GEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4499416 YNPUXPIQPRMPQT-GOSISDBHSA-N 396.403 2.246 50 40 GEGB O=C(N/N=C\c1ccc(I)o1)c1ccc2c(c1)OCO2 32116954 DCMQDDOUAKCSQU-UUASQNMZSA-N 384.129 2.377 50 40 GEGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N(CCOC)C(=O)C(C#N)=C1C 9306371 ZCSFYDDKKPDBRI-VBKFSLOCSA-N 383.404 2.014 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 59474748 MNWVJZVZRSIUDO-NGZBARDMSA-N 396.403 2.497 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1cccnc1 12863595 ZRYMBQQENBOHOV-UHFFFAOYSA-N 391.309 2.067 50 40 GEGB CCN(NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(C)cc1 8051654 SRDQNSOQHBPCNS-UHFFFAOYSA-N 377.466 2.348 50 40 GEGB Cn1/c(=N\NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)sc2ccccc21 135730415 MIODQZMJGYXMAH-CAPFRKAQSA-N 397.428 2.482 50 40 GEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(Cl)cc1 12984925 WOLQMECAPLKJKB-ZDUSSCGKSA-N 375.812 2.246 50 40 GEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3cccs3)o2)cc1 2656965 NZOQVEWKEXNRGN-YBFXNURJSA-N 389.458 2.348 50 40 GEGB CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(C)c(O)c2)cc1C 32934970 LEVCGDDGGNDZJX-UHFFFAOYSA-N 376.434 2.251 50 40 GEGB Cc1cc(C(=O)NNC(=O)Cc2ccccc2)n(C(=O)Cc2ccccc2)n1 6233276 JNBGLJNWBLZMHT-UHFFFAOYSA-N 376.416 2.078 50 40 GEGB Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c(C)c1 7939960 KNCVKYUMOAOPMK-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)ccc1O 59516297 LKRFDLCXBLIYHM-DJKKODMXSA-N 377.784 2.152 50 40 GEGB C=CCn1c(=S)[nH]c2cc(C(=O)NNc3nc(C)cc(C)n3)ccc2c1=O 11274138 CJJKHRNHGJIDQR-UHFFFAOYSA-N 382.449 2.409 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409000905 NSHHFPVGEBACMX-KEBDBYFISA-N 391.811 2.081 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)cc1 32119229 HROBPLOQSWEJJB-UHFFFAOYSA-N 386.477 2.094 50 40 GEGB NC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1 408962317 HFQOLPXQIGUNLJ-OCKHKDLRSA-N 391.225 2.469 50 40 GEGB COc1ccc(OC)c(/C=N\NC(=O)N/N=C/c2cc(OC)ccc2OC)c1 31723505 FHPVENDOKRWPGG-WELBJSHPSA-N 386.408 2.388 50 40 GEGB CC(=O)N[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1 55082730 BMMOXRSCTRSIPH-QGZVFWFLSA-N 377.510 2.473 50 40 GEGB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=N/NC(=O)c1cccc(Cl)c1 8018177 UTQDLFHRYUINCZ-OMPOGXFXSA-N 394.884 2.277 50 40 GEGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 409252277 CYRBYATZMXGJDU-FYJGNVAPSA-N 383.404 2.445 50 40 GEGB Cc1ccc(OCc2n[nH]c(SCC(=O)NNC(=O)c3ccccc3)n2)cc1 2663157 BKYQFHZEXAAXQT-UHFFFAOYSA-N 397.460 2.245 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 52411057 KWRKORCMXFHGFB-GFCCVEGCSA-N 375.787 2.293 50 40 GEGB Cc1cccc(C)c1OCC(=O)NNC(=O)CCCn1c(=O)oc2ccccc21 6560837 UVCXYXBPUOZQJQ-UHFFFAOYSA-N 397.431 2.218 50 40 GEGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 409025145 MNWJCPXYSLHXDZ-UDWIEESQSA-N 377.441 2.304 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(N)=O 408814982 ZYVBSUWFGJEVAP-NGWPFTMJSA-N 379.416 2.344 50 40 GEGB Cc1c(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 4086406 ODYOVJLBEDBZAU-LSHDLFTRSA-N 379.376 2.265 50 40 GEGB COc1ccc(O)c(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c1 1089150 GKSZZNOSSDLNQG-RGVLZGJSSA-N 395.375 2.318 50 40 GEGB COc1ccc(OCCC(=O)NNC(=O)CN2CCCc3ccccc32)cc1 15900939 IIYQKOLVXMDQRV-UHFFFAOYSA-N 383.448 2.064 50 40 GEGB O=C(O)c1ccccc1P12(OC(=O)c3ccccc31)OC(=O)c1ccccc12 104202649 KGCDZMDTGSWODN-UHFFFAOYSA-N 392.303 2.385 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)cc1 408907111 LZVGFFHXZXMSKV-SYVPYPDPSA-N 394.431 2.396 50 40 GEGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1 408801946 WXZNMPALZJINNZ-OQLLNIDSSA-N 395.415 2.422 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc(C)c1Cl 6825831 IOBFGALSNJVENI-KOZAUXTDSA-N 392.839 2.006 50 40 GEGB CCCc1c(C(=O)N/N=C(\C)c2ccc(Cl)s2)nnn1-c1nonc1N 9307993 AMZULHKXYUKEAT-REZTVBANSA-N 394.848 2.054 50 40 GEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)COc2cccc(F)c2)cc1 12747724 HZAUNRPOTAZSTR-CYBMUJFWSA-N 376.384 2.218 50 40 GEGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 12543698 FNARZWQJIPGOJQ-MRXNPFEDSA-N 386.496 2.085 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 59246937 KQXGBNOHELKRFZ-OEAKJJBVSA-N 376.460 2.472 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)ccc21 408893807 HSXUIRAGVFHRFG-UKTHLTGXSA-N 376.372 2.121 50 40 GEGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)(C)C)=C1C 4517142 OOOXAFKDZOXWPU-JOCHJYFZSA-N 391.427 2.102 50 40 GEGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@H]1c1ccc(F)cc1 6495416 UOWWHYRWMPUBAG-GJZGRUSLSA-N 389.452 2.193 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 20214904 HWUQZSQEUZNRLO-FHXOWUIVSA-N 395.506 2.370 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)CC2=O)cc1 38162508 XOXBMXGQYWBHPJ-UGVMZYNRSA-N 396.403 2.366 50 40 GEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Br 59435823 LRAQVTCEUDVJLT-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1C#N 1506305 IGFGBFIDLKUZNM-SSDVNMTOSA-N 381.436 2.003 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 101315244 CEDSNXFWJSXLAD-SJZWRUIUSA-N 397.280 2.319 50 40 GEGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc3ccccc3n2)cc1 2348786 NKTAAIZODJZQSN-UHFFFAOYSA-N 380.429 2.193 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 5703928 DEHHYMUTQMSUCI-CQSZACIVSA-N 385.395 2.039 50 40 GEGB C/C=C/C=C/C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6450545 DUKNYJHVSQDPMJ-MHCRVGIVSA-N 388.427 2.338 50 40 GEGB COC(=O)/C(CC(=O)c1cccc([N+](=O)[O-])c1)=N\NC(=O)Cc1ccccc1 6999278 JZHODGBDERGTIA-SILNSSARSA-N 383.360 2.056 50 40 GEGB CCCCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 12420068 RKFABTAMHDTJEP-HBNHWDEFSA-N 379.416 2.494 50 40 GEGB Cn1c(CC(=O)NNC(=S)Nc2ccc(F)cc2F)nc2ccccc21 16275984 ZFAFTSDUQQAAAD-UHFFFAOYSA-N 375.404 2.412 50 40 GEGB NC(=O)c1ccccc1OCC(=O)N/N=C\c1ccc(Br)cc1 33596019 UEMJMBGJLCEHFC-OCKHKDLRSA-N 376.210 2.077 50 40 GEGB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNc1ccc(F)c(Cl)c1 1557835036 QFQRGNSDGGHPLV-UHFFFAOYSA-N 375.809 2.388 50 40 GEGB CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@H]2c1cccnc1 691417 RUOFXIGYBJUHDD-GOSISDBHSA-N 379.464 2.065 50 40 GEGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(OC)c(Cl)c2)C1=O 9341983 SJLXWWWHAMCDJI-UVTDQMKNSA-N 375.812 2.500 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 19954436 CAAQFXZXRNYNMA-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccco2)c1 10038617 VNWVMASAMCMKJB-UHFFFAOYSA-N 393.355 2.335 50 40 GEGB CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 21898940 WHVJCAFYTSRYDP-UHFFFAOYSA-N 387.436 2.430 50 40 GEGB COc1cccc(CCC(=O)NNC(=O)c2cc(Br)c[nH]2)c1OC 8123598 QWYABBDWFAZNHF-UHFFFAOYSA-N 396.241 2.188 50 40 GEGB COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 224543417 NBDDNYQRWHNTOO-CYBMUJFWSA-N 382.369 2.347 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1 694966 LSMGHXZFJFBJFN-UHFFFAOYSA-N 376.276 2.274 50 40 GEGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccccc1F 3116029 SLZVMKVGXOGJMS-QGMBQPNBSA-N 392.299 2.180 50 40 GEGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@]12C(=O)Nc1ccccc12)OCO4 5388857 BWKPQGUBNXMAMC-JOCHJYFZSA-N 384.395 2.212 50 40 GEGB COC(=O)c1ccc(CNC(=O)COC(=O)/C(C#N)=C\c2ccccc2)cc1 6372188 KPIBMHZPZCSXDP-WQRHYEAKSA-N 378.384 2.240 50 40 GEGB CC(=O)N[C@H](C(=O)NNC(=O)CCCOc1ccc(Cl)cc1C)C(C)C 12755255 ZXNLOVYWHAZCPQ-KRWDZBQOSA-N 383.876 2.116 50 40 GEGB CCOc1ccccc1N1C[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1=O 15502241 JPAIHNFCTLSHHP-ZDUSSCGKSA-N 384.392 2.490 50 40 GEGB Cc1cccc(CC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1 23109372 DITUTJKGNNBHTN-UHFFFAOYSA-N 393.418 2.348 50 40 GEGB O=C(C[C@H]1CCS(=O)(=O)C1)N/N=C/C(Br)=C\c1ccccc1 95952895 GDAHHENAKRCWLY-KZWKTMMCSA-N 385.283 2.349 50 40 GEGB COc1ccc(SCC(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)cc1 107622433 IXEGVSGEAHYIMG-YVNNLAQVSA-N 396.472 2.378 50 40 GEGB N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 2309423 UYEMRMFELWJUKM-KRWDZBQOSA-N 383.429 2.063 50 40 GEGB Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 3487198 DECPVNTZHVGYIG-UHFFFAOYSA-N 391.221 2.376 50 40 GEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(C#N)cc1 5504682 NLVFAAHSGNRECY-PXLXIMEGSA-N 396.472 2.497 50 40 GEGB N#CCCn1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc21 7244752 UPXHYANEDSEBRL-YDZHTSKRSA-N 398.430 2.359 50 40 GEGB O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1cccc(Br)c1 7388085 MJXRSUWOLZEJGW-UHFFFAOYSA-N 387.230 2.140 50 40 GEGB CN(C)N(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 8855596 AOYBTSFUTPERSI-XGACYXMMSA-N 377.293 2.499 50 40 GEGB Cc1nnc(NNC(=O)c2csc(COc3ccc(Cl)cc3)n2)nc1O 12908211 KRWGKOSPPZGCIT-UHFFFAOYSA-N 392.828 2.331 50 40 GEGB CC/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(OC)c(OC)c1 20835707 JETZNMNFSZTPMX-CJLVFECKSA-N 394.431 2.495 50 40 GEGB CC(=O)N/N=C/c1cc(Br)cc(I)c1O 59426209 ARYIHYIDDOFFIY-UUILKARUSA-N 382.983 2.229 50 40 GEGB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1ccccc1 408685107 OQUQIPSVWHSJSB-QUXUGENCSA-N 393.233 2.372 50 40 GEGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cccnc1 3335549 XCRNRDFVDWOCPY-FOKLQQMPSA-N 376.372 2.468 50 40 GEGB COCc1nc2c(o1)N(C(=O)OC(C)(C)C)C(N)=C(C#N)C21CCOCC1 5632436 MCJQKNJDAFERSV-UHFFFAOYSA-N 376.413 2.318 50 40 GEGB CC(=O)N[C@H](CC(=O)NNC(=O)COc1c(C)cccc1C)c1ccccc1 6558452 BMVRVFJMPFJHBX-GOSISDBHSA-N 383.448 2.097 50 40 GEGB C/C(CNc1nc(N)nc(N)c1/N=N/c1ccc(Cl)cc1)=N\NC(N)=O 17422091 NCZPWXYPBYVVDZ-NLUIHQEESA-N 376.812 2.166 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1 19954241 VMGBVWMVFZILFQ-VXLYETTFSA-N 383.832 2.395 50 40 GEGB Cn1nc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)ccc1=O 23154929 LUOUCQJOXYAOCV-LBPRGKRZSA-N 388.493 2.068 50 40 GEGB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)NNC(=O)c1ccccc1 35290101 AADKVHUJOMZBMK-UHFFFAOYSA-N 396.407 2.199 50 40 GEGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(Cl)c3)C2=O)cc1 2248538 BFQBINPPGOUUEA-INIZCTEOSA-N 387.823 2.305 50 40 GEGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OC)c2ccccc21 20608615 LKRLGIBGASTGMV-QOCHGBHMSA-N 380.448 2.475 50 40 GEGB COc1ccc(NCC(=O)NNC(=O)c2cc(F)ccc2Br)cc1 24977925 ROPGENJHRGUAOI-UHFFFAOYSA-N 396.216 2.470 50 40 GEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O 59459114 FAHDMTBMIHVCAC-KEBDBYFISA-N 395.331 2.450 50 40 GEGB C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccccc1O 100858810 RHNAXMGKPFYCLQ-PTGBLXJZSA-N 380.492 2.359 50 40 GEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 408782580 KNNWOPQYUTVJDI-UDWIEESQSA-N 377.441 2.304 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(OC)c1 408907047 LGVUTKRCLBJZRF-REIAIGDLSA-N 385.420 2.208 50 40 GEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCOCC2)cc1C 409102901 BRHQCNHOMJYEEY-HMAPJEAMSA-N 383.448 2.369 50 40 GEGB COC(=O)c1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409257769 QCWJMRFUFKPEAO-SLCIXIPPSA-N 379.416 2.285 50 40 GEGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(C(=O)OC)c1 8733066 JXTQAYWMOCLTMC-ZDUSSCGKSA-N 385.258 2.482 50 40 GEGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccnc1 408970883 ABHJQBDVBDGKCA-XNQWGTPPSA-N 382.464 2.450 50 40 GEGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(F)cc2)c(OC(C)=O)c1 1434217 YJLORMUQAQOGRE-UFFVCSGVSA-N 388.351 2.205 50 40 GEGB Cc1ccc(C(=O)NNC2=NC(=O)C[C@H](C(=O)Nc3ccccc3)S2)cc1 2385312 QRPDPRXNZZICAS-OAHLLOKOSA-N 382.445 2.256 50 40 GEGB COc1ccc(CC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 4524009 VOEFXZHSEZDPDH-UHFFFAOYSA-N 383.448 2.421 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 5515242 MMNAERULGIYGSQ-XSFVSMFZSA-N 387.461 2.168 50 40 GEGB COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC 1633531 XPDCZPRYRUEWFS-CVEARBPZSA-N 376.796 2.245 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c(OC)c1OC 4575972 NKTBTZXVKIPJMP-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)N(CCCl)N=O 4896759 PNPXJHBSAKUNFW-NXEZZACHSA-N 383.236 2.161 50 40 GEGB N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 1423068 OOKWGEADCCVPDA-JOCHJYFZSA-N 383.411 2.493 50 40 GEGB COc1cc2ccccc2cc1C(=O)NC(=S)NNC(=O)c1ccncc1 6646168 RFFINNXGSAFOGJ-UHFFFAOYSA-N 380.429 2.193 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2cccc(Nc3ncccn3)c2)cc1OC 24550736 WKLRJXHOHFZLCH-UHFFFAOYSA-N 393.403 2.312 50 40 GEGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 100962459 FISOHMKDRHRADL-MHWRWJLKSA-N 393.355 2.439 50 40 GEGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccco3)c(C)c(C#N)c2=O)cc1 409061547 FHTAFSAOHOERQE-UUYOSTAYSA-N 375.388 2.332 50 40 GEGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 3097939 UXLOAHGKSPCSNY-GIJQJNRQSA-N 392.209 2.252 50 40 GEGB O=C(COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1)NC[C@@H]1CCCO1 58882753 UESQMFGNOBYLEE-CFKHXJFWSA-N 395.459 2.053 50 40 GEGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OC 4524170 UNFLJAIFHIUFHK-RQZCQDPDSA-N 387.230 2.070 50 40 GEGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)[C@@H](C#N)C(=O)N1 9332154 PYYWIGGYRPBYEC-CXAGYDPISA-N 385.445 2.470 50 40 GEGB Nc1nccnc1C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 12780927 RMCAOPYIEOKAFC-UHFFFAOYSA-N 397.822 2.366 50 40 GEGB CCc1nc(CN2CCN(C(=O)[C@]34CC[C@H](C[C@@H]3Br)C4)CC2)no1 95973914 NCQVJHGUSFGNFU-IGCXYCKISA-N 397.317 2.230 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 6509580 VYAXPZWXWJOVRQ-CIAFOILYSA-N 380.404 2.484 50 40 GEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 408906887 JWRHPJLUQXUDTD-RNEAKCBISA-N 395.506 2.452 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 5697887 LDGLKCOYVVSOJI-XBFCOCLRSA-N 380.828 2.230 50 40 GEGB CCn1nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 6449274 RLEOVNYDKBOIPT-UHFFFAOYSA-N 394.475 2.394 50 40 GEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)c1C 11655440 VBLSTWBLUISKFF-MRXNPFEDSA-N 393.447 2.172 50 40 GEGB O=C(COc1cccc2ccccc12)NNC(=O)[C@@H]1COc2ccccc2O1 12942363 NRIBVFJDYIGPOB-IBGZPJMESA-N 378.384 2.206 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1 19954144 RDHHTNQFZLDTCZ-FYJGNVAPSA-N 397.456 2.462 50 40 GEGB CCOC(=O)COc1ccccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 35386905 RVBVRPHWQZJVJK-NDENLUEZSA-N 385.376 2.230 50 40 GEGB C[C@@]1(NNC(=O)NCC2(c3cccc(F)c3)CCCCC2)CCS(=O)(=O)C1 95373565 LCPVADARLVYMTQ-GOSISDBHSA-N 397.516 2.409 50 40 GEGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)C(=O)Nc1ccccc1 100523029 NIANHEQLKHRTNS-OEAKJJBVSA-N 381.436 2.212 50 40 GEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)cc1 408794508 ISKKHHHVDMOVEW-XNTDXEJSSA-N 380.356 2.482 50 40 GEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)c1 7050409 KCCAJZBEEUWYIB-UHFFFAOYSA-N 388.424 2.252 50 40 GEGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248269 RMDMHYJZKOTBBI-SOFYXZRVSA-N 381.388 2.486 50 40 GEGB Cc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3O)C(O)=NC2=S)c1 2323276 BUPPEEMOKYBMIA-GXDHUFHOSA-N 396.428 2.107 50 40 GEGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1 6984773 UWRQTCWFMMLMMU-SUMWQHHRSA-N 387.411 2.008 50 40 GEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)CN2CCCCCCC2=O)c1C 48065876 JLKQRKKTHVVKHS-MRXNPFEDSA-N 375.469 2.011 50 40 GEGB CCOc1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1O 408721282 GIBOIUYUDGHHEL-LSHDLFTRSA-N 398.419 2.042 50 40 GEGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccc(Br)o2)[C@@H](C(=O)O)C1 2797512 DTIJWCVZTYRKBX-UWVGGRQHSA-N 385.214 2.250 50 40 GEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 4904601 BBQGTIUQZHNPGZ-XDHOZWIPSA-N 387.417 2.214 50 40 GEGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(F)cc2)c(C)c1 6607282 CSWMQVBWFJSTAJ-KEBDBYFISA-N 377.441 2.180 50 40 GEGB COc1cccc(C(=O)N/N=C2\SCC(=O)N2Cc2ccc3c(c2)OCO3)c1 18089506 SIKWXKJRUOXEDT-VZCXRCSSSA-N 399.428 2.200 50 40 GEGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)c1C 20627325 MACSXLKDKWXJAB-UHFFFAOYSA-N 387.417 2.106 50 40 GEGB CSc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 35131402 VCTSUBUEZMNFLF-PDGQHHTCSA-N 383.539 2.453 50 40 GEGB CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(Br)cc1 408778918 MVHSOIVCFBHVGZ-UHFFFAOYSA-N 388.287 2.261 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1 19953688 ILFTXEPQVDZNOB-AUQXIXNCSA-N 389.477 2.390 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 23109324 KFFRUMCZDHXZLZ-UHFFFAOYSA-N 395.390 2.119 50 40 GEGB CCOc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC 32704971 PMJUHLZRFQEGHG-IMDMHPKBSA-N 381.432 2.074 50 40 GEGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58873362 NTEPSNKFTUXJQN-LPYMAVHISA-N 396.447 2.069 50 40 GEGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2)c(C)c(C#N)c1=O 409063707 BGJHVTJMSAHXMQ-QRVIBDJDSA-N 387.399 2.185 50 40 GEGB CC(C)c1cc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)[nH]n1 2365973 IPCFPTIRKKYDIG-UHFFFAOYSA-N 376.214 2.382 50 40 GEGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 4718896 ACEZKYRNEPSQAI-NGYBGAFCSA-N 375.728 2.027 50 40 GEGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2C)cc1 12868021 RQAWKVDXDMCNGX-UHFFFAOYSA-N 378.388 2.293 50 40 GEGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccccc1O 2252658 HKXSDCGZWDQGRK-UHFFFAOYSA-N 396.428 2.305 50 40 GEGB aggregator COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(C)=O 3102404 FJIAPHPZCURQJG-VXLYETTFSA-N 387.348 2.058 50 40 GEGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4678822 PYOSXDXIHJEGEB-QNDYCBLQSA-N 381.432 2.011 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 12604845 NMCQGLOFGUWLKX-UHFFFAOYSA-N 395.412 2.326 50 40 GEGB Cc1ccc(C(=O)NNC2=NC(=O)C[C@@H](C(=O)Nc3ccccc3)S2)cc1 2385310 QRPDPRXNZZICAS-HNNXBMFYSA-N 382.445 2.256 50 40 GEGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1 2675701 PMOMCZJFSVVVPH-KEBDBYFISA-N 390.237 2.338 50 40 GEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2F)c1[N+](=O)[O-] 4543246 MCRKXRMRMKLYJX-DJKKODMXSA-N 375.312 2.432 50 40 GEGB O=C(COc1ccc2ccccc2c1)N/N=C1/C(=O)N(CO)c2ccccc21 17877691 YHEYTBDDYGPEEB-BSYVCWPDSA-N 375.384 2.036 50 40 GEGB O=C(NNC(=O)[C@H]1CCCO1)c1c(-n2cccc2)sc2c1CCSC2 32259700 KJNOYTTYPMODNZ-GFCCVEGCSA-N 377.491 2.268 50 40 GEGB Cc1cc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)no1 250962669 KZLOMWQWZBZOHR-HXFLIBJXSA-N 392.047 2.409 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)cc(Br)c1O 5915561 KDHUMJBVHULCIH-REZTVBANSA-N 381.182 2.338 50 40 GEGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379678 FQFQOMOQLBRKEY-UHFFFAOYSA-N 394.474 2.037 50 40 GEGB O=C(CSc1nnc(COc2ccccc2)o1)NNC(=O)Cc1ccccc1 7604752 GVAPXHVVFGIKNP-UHFFFAOYSA-N 398.444 2.131 50 40 GEGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 18173273 WQIFXOQQSFUFPU-MOHJPFBDSA-N 396.834 2.123 50 40 GEGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)c(OC)c1 408771824 JIBQOJZMCJIHDO-LDADJPATSA-N 385.486 2.008 50 40 GEGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2Cl)cc1 7386287 KDVUGGWSAFTHKQ-UHFFFAOYSA-N 382.825 2.140 50 40 GEGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 30552473 ZGQKZQTWYXNUDK-CYBMUJFWSA-N 387.823 2.163 50 40 GEGB Br[C@H]1C[C@H]2C[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 100012714 OSPRNWJVZBLALK-DTIDVZRVSA-N 398.091 2.430 50 40 GEGB CCOC(=O)c1cs/c(=N/N=C2\CC(=O)c3ccccc32)n1C(=O)CCl 101392033 UEJWUMUIJKOOQG-PVYFLZRGSA-N 391.836 2.497 50 40 GEGB COc1cccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 989045 UBLKAZBJUCENGO-WMZOPIPTSA-N 375.432 2.059 50 40 GEGB O=C(NNC(=O)c1ccccc1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 2285702 QWAPPRIJDZVMER-XMHGGMMESA-N 386.411 2.314 50 40 GEGB CCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 2432728 SHVKAIUQNRTGLR-KRWDZBQOSA-N 397.431 2.421 50 40 GEGB COc1cc(/C=N/NC(=O)CNc2cccc(N3CCCC3=O)c2)ccc1O 2802038 VTZZKVOTBFUFMI-WSDLNYQXSA-N 382.420 2.090 50 40 GEGB COc1ccccc1/C=N\NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 13562419 LIQMDLXKDQMTIS-NDENLUEZSA-N 395.444 2.492 50 40 GEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 101538687 GHYXEYMIPUZSKP-HYARGMPZSA-N 398.419 2.345 50 40 GEGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1 408827946 MZFUFHOISHAEQX-GDNBJRDFSA-N 387.461 2.498 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408999266 UKNKFPKTSDBHGV-KEBDBYFISA-N 391.811 2.081 50 40 GEGB O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccn1 20290041 XMULHYCHEHFSLF-NMWGTECJSA-N 377.448 2.396 50 40 GEGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495399 DMYLBRVBRNRIBL-AWEZNQCLSA-N 391.880 2.271 50 40 GEGB CC1(C)Cc2cccc(OCC(=O)NNC(=O)COc3ccc(F)cc3)c2O1 6558290 BKEGBRDKIAYOHI-UHFFFAOYSA-N 388.395 2.144 50 40 GEGB Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 11494203 CFFVWTNCWLMLHV-UHFFFAOYSA-N 392.415 2.312 50 40 GEGB Cc1cc(C(=O)NNS(=O)(=O)c2c(F)cccc2F)c2ccccc2n1 21316796 UDCVPTJKEPORJD-UHFFFAOYSA-N 377.372 2.445 50 40 GEGB CC(C)C(=O)N1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)CC1 57354588 AMIFKTCJLMAQRL-CQSZACIVSA-N 377.872 2.110 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1OCC 59515613 ZIQWIMXUTGPJLI-YDZHTSKRSA-N 384.436 2.036 50 40 GEGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)C1 2200027 JPYCYKNBLMKYCX-INIZCTEOSA-N 391.431 2.213 50 40 GEGB COc1ccccc1NCC(=O)NNC(=O)CCc1nc2ccccc2s1 12533541 VCVRRQZCEGWGRC-UHFFFAOYSA-N 384.461 2.497 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1F 52411003 POPRPQJMPOTIHH-NSHDSACASA-N 375.787 2.293 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(OC)ccc1OC 408603320 FRTYFSWOIVOQPV-OAHLLOKOSA-N 386.433 2.262 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408769718 ZZYOKLXMQMHYMV-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 5205595 YUUWDDWQXRHZAS-FYJGNVAPSA-N 375.469 2.343 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)c2ccc(SC)cc2OC)cc1 9885255 PVLGNMONNADVRU-UHFFFAOYSA-N 376.434 2.266 50 40 GEGB Cc1ccc(SCC(=O)NNC(=O)C[C@H](C)NC(=O)c2ccccc2)cc1 12930575 LKKHMPJRZABGIF-HNNXBMFYSA-N 385.489 2.443 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC 13922624 SZMGFOLNVAVARK-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB O=C(NN/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O)c1ccccc1 16995952 ILHKITDUSJLDAS-GXDHUFHOSA-N 384.392 2.232 50 40 GEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)NC1CCCCC1 59515588 FDIOLMARQHSFLF-QGMBQPNBSA-N 396.241 2.077 50 40 GEGB Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)COc1ccc(C#N)cc1 29332539 QGWVCEYBGAIUOL-UHFFFAOYSA-N 390.399 2.291 50 40 GEGB COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC 1633532 XPDCZPRYRUEWFS-HZPDHXFCSA-N 376.796 2.245 50 40 GEGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)Nc1ccc(F)cc12 4476281 RRQSLQRQSRVCID-FQEVSTJZSA-N 375.315 2.257 50 40 GEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2)S(C)(=O)=O)cc1 4543736 ANRKIAQRNOVOFP-NPQOUYBPSA-N 389.477 2.390 50 40 GEGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccccc1-n1cccc1 6507561 UHGSKFHCRIWYCN-UHFFFAOYSA-N 377.326 2.154 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(Cl)cc1 12984924 WOLQMECAPLKJKB-CYBMUJFWSA-N 375.812 2.246 50 40 GEGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19954026 QOKFNZZHBLCQCG-HMMYKYKNSA-N 389.477 2.392 50 40 GEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1 20060397 QIWSTZYQDIEVEL-XMHGGMMESA-N 375.450 2.002 50 40 GEGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)NCc1ccco1 28214956 BUIKUHLFELNMLT-FSJBWODESA-N 378.388 2.134 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)[C@H](O)c1ccccc1 3166502 MOQFWPNLVXBPRV-CNGOAVBNSA-N 394.181 2.247 50 40 GEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(O)cc2)C(C)C)cc1 5814675 ZQVZOBAFEURZOQ-BAOGCXAUSA-N 389.477 2.154 50 40 GEGB C/C(=N\NC(=O)c1cccnc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6528889 LUPNSIMAEQPACD-HYARGMPZSA-N 398.444 2.307 50 40 GEGB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1 7939962 STLYBUQEOLXSCT-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)c1 8811240 RQELWLOMTFRQAA-LPYMAVHISA-N 387.411 2.443 50 40 GEGB O=C(N/N=C/c1cccnc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408857226 JYWMOJODSVONFC-DDLUMYACSA-N 392.868 2.038 50 40 GEGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 409004468 CZKDZHVPMNGQDQ-QNDYCBLQSA-N 381.432 2.011 50 40 GEGB Nc1ccc(-c2ccc(NC(=O)N[C@H]3CS(=O)(=O)C[C@H]3Cl)cc2)cc1 575425484 ZCUKAJRMPVUETP-CVEARBPZSA-N 379.869 2.462 50 40 GEGB O=C(N/N=C/c1c(N2CCCCC2)nc2ccccn2c1=O)c1ccccc1O 1496675 DJFPNUIRCFBQIC-HYARGMPZSA-N 391.431 2.154 50 40 GEGB COc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 793801 PMAPOQYCJXXVRO-HGEIODPWSA-N 386.408 2.388 50 40 GEGB CCN(CC)[C@@H](C)C(=O)NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1 2274535 NJHICUVZSQSTLK-SFHVURJKSA-N 397.519 2.417 50 40 GEGB O=C(N/N=C/c1ccccc1O)c1ccc(C(=O)N/N=C/c2ccccc2O)o1 2779749 WBIHXDBWIBVOAR-XHQRYOPUSA-N 392.371 2.219 50 40 GEGB CN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2cc(Br)ccc21 5521397 ZPQAIVMWBAAAIT-SILNSSARSA-N 388.221 2.325 50 40 GEGB CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)C(C)C 12860719 FGZAJHVMKZZUBR-IUODEOHRSA-N 383.876 2.032 50 40 GEGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(O)=NC2=S)cc1 13799867 SSKHKTDWTNMHMN-RVDMUPIBSA-N 380.429 2.402 50 40 GEGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1c[nH]c2ccccc12 20171495 DTLGIDACFIIDQL-BUVRLJJBSA-N 375.476 2.436 50 40 GEGB COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c(OC)c1OC 1080076 ULGGBLDKUYRMLN-QGZVFWFLSA-N 398.463 2.289 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3F)ccc21 3581231 NNQRONSDKQWYLT-UHFFFAOYSA-N 376.413 2.127 50 40 GEGB CC(C)COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1 4332725 WCFHKGDFVPJVGO-UHFFFAOYSA-N 388.395 2.479 50 40 GEGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 9008280 QFJPLMLATWARCU-UDWIEESQSA-N 395.444 2.492 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)c2nn(C)cc2Br)c(OC)c1 12362414 BSBHLTFVRKKSMV-RQZCQDPDSA-N 381.230 2.354 50 40 GEGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 12936721 KLIZTWFPDOZTOP-SFHVURJKSA-N 395.459 2.134 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)cc1 13345660 IYEGKOABPBPVLY-UHFFFAOYSA-N 389.216 2.315 50 40 GEGB Cc1occc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 21869431 SPOWAHZWYHPPRN-UHFFFAOYSA-N 399.428 2.464 50 40 GEGB O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(COCC(F)(F)F)cc1 22467155 PLYAVYVRZPUEKF-UHFFFAOYSA-N 386.286 2.077 50 40 GEGB COc1cccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2cccc(OC)c2)c1 31670050 PYHROCOMCDIQPA-OQRYGUKSSA-N 396.447 2.475 50 40 GEGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccc(O)cc1 31783433 LDBSBHVPTLYFEO-NKVSQWTQSA-N 382.445 2.193 50 40 GEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2c(C)nn(CCCl)c2C)c1 72284130 UQBIMUOSLNCCAE-UHFFFAOYSA-N 378.860 2.196 50 40 GEGB CCCc1c(C(=O)N/N=C(\CC)c2ccc(C)cc2)nnn1-c1nonc1N 5500154 BUIMWPBFGSCLFB-DEDYPNTBSA-N 382.428 2.038 50 40 GEGB CCCCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 9331014 GXDHOPKWFZUSIU-VBKFSLOCSA-N 386.452 2.361 50 40 GEGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1OC 409334456 LRWLOWNCKHWOTD-MTJSOVHGSA-N 384.388 2.487 50 40 GEGB CCOC(=O)COc1cc(Br)c(/C=N/NC(C)=O)cc1OCC 4545336 SUEXZQKQXBHLGS-CAOOACKPSA-N 387.230 2.260 50 40 GEGB CN(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 6544388 QHDZEQFLVPUDFU-VXLYETTFSA-N 383.832 2.250 50 40 GEGB CCc1[nH]c(C(=O)NNc2nc3ccccc3c(=O)n2CC)c(C)c1C(=O)OC 11159087 WPGOLSVGAYKERD-UHFFFAOYSA-N 397.435 2.159 50 40 GEGB Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2)nn1-c1ccccc1Cl 17171034 RKMGKNRJMAVBBV-UHFFFAOYSA-N 382.807 2.269 50 40 GEGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3)c(C)c(C#N)c2=O)cc1 217050230 JUBHRGXTLZBVDE-QRVIBDJDSA-N 387.399 2.185 50 40 GEGB COc1cccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)c1 408767820 PELDPKZLKKWHPS-YBFXNURJSA-N 395.868 2.265 50 40 GEGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccccc1O 408782274 GOTDTRMMSBXQTN-HMMYKYKNSA-N 389.477 2.315 50 40 GEGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408824048 PDZVRSDZMCVNRS-HMASQMOLSA-N 375.812 2.188 50 40 GEGB COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)cc2C)cc1 409108767 VXGGSPNGKYRMHA-HMAPJEAMSA-N 383.448 2.369 50 40 GEGB CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 14044582 ROYIEQMIMVBGFS-ZDUSSCGKSA-N 394.431 2.277 50 40 GEGB O=C(CCC(=O)c1cccs1)NNC(=O)c1cncn1-c1ccc(F)cc1 6648283 XVOICQLCBXOGHA-UHFFFAOYSA-N 386.408 2.497 50 40 GEGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 6888981 BACBEBDORZZJJC-QGMBQPNBSA-N 393.193 2.382 50 40 GEGB Cc1cc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(C)o1 8346489 MLZCKZTVYJOLCI-UHFFFAOYSA-N 384.841 2.175 50 40 GEGB COc1ccc(/C=N\NC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC 31628822 PMAPOQYCJXXVRO-ACXSEBCSSA-N 386.408 2.388 50 40 GEGB COC(=O)c1ccc([C@@H]2[C@@H]3C(=C[C@@H]4CC[C@@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 100700872 KBLRNVGKQOQYOE-KCUHQSDYSA-N 399.454 2.359 50 40 GEGB CO[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 4906951 CLIIQYNUZNCYIB-KNGGAZFVSA-N 398.419 2.269 50 40 GEGB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NNC(=O)c1cccc(C)c1 25210564 GGIBBNCGCXFYGK-CYBMUJFWSA-N 384.436 2.224 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1 71279199 TZSAZEQCGYEGLD-UHFFFAOYSA-N 393.428 2.044 50 40 GEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 100522630 SPKUZPRHBSRTGR-FYJGNVAPSA-N 384.392 2.416 50 40 GEGB CCN(CC)c1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 223161779 FVHLHNOAEDMPJS-HMAPJEAMSA-N 396.447 2.408 50 40 GEGB COC(=O)CCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 4656966 HMHGUCBJHVYNMG-UHFFFAOYSA-N 377.224 2.253 50 40 GEGB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NNC(=O)c3n[nH]c4c3CCCC4)c12 27124753 PDWBNHHVEWXSJH-UHFFFAOYSA-N 395.467 2.077 50 40 GEGB COC(=O)COc1cccc(/C=N\NC(=O)COc2ccccc2Cl)c1 32112032 QFEYVLQVXONYDP-JMIUGGIZSA-N 376.796 2.421 50 40 GEGB CN1CCC(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 39948601 LKSDFLYKBOBXME-UHFFFAOYSA-N 392.506 2.360 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3)CC2)cc1 409006897 SBEXWLISYVIDHN-HYARGMPZSA-N 381.432 2.403 50 40 GEGB CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21 990238 HNTFXEBAPWCKKN-JOCHJYFZSA-N 399.362 2.058 50 40 GEGB COc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc(OC)c1OC 2628803 XSPMPGSHKDMQQB-UHFFFAOYSA-N 381.388 2.335 50 40 GEGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(-c2ccccc2)n[nH]1 4865199 SWCPDYNIYCPBBC-DJKKODMXSA-N 379.332 2.478 50 40 GEGB COCc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2)oc2ccccc12 5199213 JWYZNFMYCQNCTP-UHFFFAOYSA-N 382.372 2.197 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 5827490 PWQVPYYXSLHHBF-VBKFSLOCSA-N 389.839 2.061 50 40 GEGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC)c(OC)c2)cc1 20764638 QNTFNJRSEQSBOX-CIAFOILYSA-N 386.404 2.410 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(Br)s1 971490 NWCLGSUXTMRQFA-NSHDSACASA-N 381.207 2.174 50 40 GEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1C#N 1433989 KQVRFXPNFMAZFE-KEBDBYFISA-N 384.348 2.013 50 40 GEGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 2805735 NVTFQHWNSDBDCW-GIJQJNRQSA-N 383.813 2.119 50 40 GEGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N(CCCOC)C(=O)C(C#N)=C1C 9303781 GEJAABOXRZEVER-LGMDPLHJSA-N 397.431 2.404 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccoc1 12900692 PMGHTRVQZYORHD-UHFFFAOYSA-N 380.282 2.265 50 40 GEGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O 59922155 MVBHNLZJADPVSJ-NUGSKGIGSA-N 395.337 2.342 50 40 GEGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21 2242093 FDTXVURBTJUMRG-HNENSFHCSA-N 388.427 2.264 50 40 GEGB COc1cccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 5625561 UBLKAZBJUCENGO-SJLPKXTDSA-N 375.432 2.059 50 40 GEGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 6607299 HFPBILMLSZLACS-RGVLZGJSSA-N 389.477 2.049 50 40 GEGB Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 6845516 QEFHHJALRCTNIF-UHFFFAOYSA-N 377.853 2.363 50 40 GEGB Cc1cccc(CC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)c1 16839291 OGJXMCHYHICNJC-UHFFFAOYSA-N 375.428 2.209 50 40 GEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 20207331 XJDAMJIGJDGDCF-XSFVSMFZSA-N 387.461 2.168 50 40 GEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[C@]13CC[C@@](C)([C@@H](O)C1)C3(C)C)C[C@H]2O 100867592 KTHKFBXSXFSTAX-SEKKFUMKSA-N 392.540 2.288 50 40 GEGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1O 408775827 SJIVPRTUFWMJJK-XDHOZWIPSA-N 395.868 2.352 50 40 GEGB COc1cc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)ccc1O 1250700 FYLFTMDKLBRQMA-AWQFTUOYSA-N 380.360 2.284 50 40 GEGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1cccc([N+](=O)[O-])c1 3232464 AOEMWZPQLMPSKD-LTGZKZEYSA-N 381.436 2.257 50 40 GEGB CCCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)CC1 72228524 JIPFCABTHGQOMQ-CQSZACIVSA-N 377.872 2.254 50 40 GEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1 12687071 ZAZUFLQKLGIOHX-UHFFFAOYSA-N 386.271 2.028 50 40 GEGB COc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1OC 12992997 SLLDUXXDCJOPKI-UHFFFAOYSA-N 390.417 2.382 50 40 GEGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)cc1 408765565 MHDIGWAUGCCYGO-LFIBNONCSA-N 393.399 2.273 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 6579811 XKGUUWZDRWBWFE-YDZHTSKRSA-N 387.411 2.008 50 40 GEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C)cc1 4656973 GFYNHHDMZOXWLM-UHFFFAOYSA-N 399.447 2.339 50 40 GEGB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccccn1 7909675 NZBOTADMFOBSCF-CONPEVPGSA-N 398.507 2.200 50 40 GEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccc(O)cc1 36032832 KTWYWLROSAXBPX-ODLFYWEKSA-N 381.417 2.189 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1C 10159103 VHVCIUOAANNLOS-UHFFFAOYSA-N 380.404 2.035 50 40 GEGB COc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S 17146458 RMSJXAQYUUYZBP-ACCUITESSA-N 396.428 2.102 50 40 GEGB CCOC(=O)/C(C#N)=C(N)/C(=N\Nc1cccc(C(F)(F)F)c1)C(=O)OCC 31819795 CVDDQGLJBWQSBL-UWXFXBEJSA-N 398.341 2.336 50 40 GEGB COCCCNS(=O)(=O)c1sc(Cl)cc1C(=O)CBr 65734948 HQCMFGKNJJPGIA-UHFFFAOYSA-N 390.708 2.294 50 40 GEGB in-vitro COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(=O)O 408908058 DIHWGQOOICAOFN-AWQFTUOYSA-N 392.795 2.341 50 40 GEGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 59472744 UMTDSBMYDHRCPF-PXLXIMEGSA-N 394.456 2.427 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(OC)c3)C2=O)cc1 100142066 MYFHPNXAPMKRES-SFHVURJKSA-N 397.431 2.051 50 40 GEGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(C)cc2Cl)c2ccccc21 100808530 DWCIOJLDKAXDPL-HEHNFIMWSA-N 385.807 2.302 50 40 GEGB O=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2cccs2)CC1 3189718 HNZIQKABLMVKHM-LFIBNONCSA-N 383.520 2.361 50 40 GEGB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O 18043397 URUJHULCAJBKBJ-UHFFFAOYSA-N 384.392 2.342 50 40 GEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC(=O)O 408767797 OLIYEWBLVOMNMY-WCIBSUBMSA-N 397.225 2.353 50 40 GEGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21 2442844 LAFAWGBWPHVAKY-ICFOKQHNSA-N 394.456 2.326 50 40 GEGB C[C@]12C(=O)N(c3ccccc3C(=O)NN)C(=O)N1CCc1c2[nH]c2ccccc12 4063250 WHGSSSYYHWLFJA-NRFANRHFSA-N 389.415 2.012 50 40 GEGB biogenic Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5578036 XMTLZMQPAXCEKF-YUTCNCBUSA-N 382.844 2.454 50 40 GEGB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCCl 10104416 UDKRPECFZJIVDG-UHFFFAOYSA-N 399.882 2.329 50 40 GEGB Cc1nn(C)c(C)c1-c1cc(C(=O)NN)n2nc(-c3ccc(F)cc3)cc2n1 13642429 SAAAKQMKOOOECK-UHFFFAOYSA-N 379.399 2.156 50 40 GEGB O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1ccc(F)c(F)c1 23109443 CHWJSRAFLPRLOM-UHFFFAOYSA-N 383.354 2.250 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc(C)c1Cl 102201634 ZPMYSLVNAALTSX-APYUEPQZSA-N 394.855 2.230 50 40 GEGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1 2389690 HEHZBMRPZYVYMJ-ATJXCDBQSA-N 391.475 2.287 50 40 GEGB O=C(COc1cccc(F)c1)NNC(=O)COc1cccc(C(F)(F)F)c1 2660852 BVFDBCLZSOPCKQ-UHFFFAOYSA-N 386.301 2.450 50 40 GEGB COc1ccc(/C=N/NC(=O)CC(=O)NC(C)(C)Cc2ccc(O)cc2)cc1 3672125 CEEUPLFQORRVEV-HYARGMPZSA-N 383.448 2.379 50 40 GEGB CO[C@H](C(=O)NNC(=O)COc1ccc(Br)cc1)c1ccccc1 5915182 AUFDNUSEPIXFAN-INIZCTEOSA-N 393.237 2.363 50 40 GEGB CN(C)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 7379796 YSEAOAVIIOWGMX-UHFFFAOYSA-N 375.812 2.024 50 40 GEGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OC)cc3OC)CC2=O)cc1 409169550 QTZWPIFMJUPXHE-QZDMBBGESA-N 397.431 2.216 50 40 GEGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(N)=O 1410782 PWCGEVQAUBCCSY-LZCJLJQNSA-N 392.978 2.152 50 40 GEGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1 7782252 VBKRFWCAHFCGNW-RGVLZGJSSA-N 390.237 2.224 50 40 GEGB Cc1cccc(C(=O)N[C@H](C(=O)NNC(=O)CNc2ccccc2)C(C)C)c1 12534798 GEHOPLKECLLIIO-IBGZPJMESA-N 382.464 2.009 50 40 GEGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc(Cl)c1 33881680 ZKESPZGUDAKVNZ-MOSHPQCFSA-N 393.896 2.294 50 40 GEGB CCc1sc(C(=O)NNC(=O)c2ccc(OC)c(OCCO)c2)cc1C 40119057 HDXBYZYQJHIKJF-UHFFFAOYSA-N 378.450 2.073 50 40 GEGB CCOC(=O)/C=C(/C)NCCSSCCN/C(C)=C\C(=O)OCC 104206284 SEHMBTBAIUOTHI-XSYHWHKQSA-N 376.544 2.481 50 40 GEGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 409112309 FSQQKEVQTFRSCN-XSFVSMFZSA-N 387.461 2.411 50 40 GEGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)cc1OC 409318917 YOBUIOYOMHEZNR-MTJSOVHGSA-N 384.388 2.487 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)N3C(=O)[C@H](C)SC3=C2C#N)cc(OC)c1OC 2420741 STNOTWZSJFZBCD-BJOHPYRUSA-N 398.444 2.203 50 40 GEGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2cccs2)no1 2733121 NJCRIVQKKNOBIN-OMCISZLKSA-N 387.333 2.199 50 40 GEGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 13896632 YXKRGORRHGNIJL-PXLXIMEGSA-N 394.456 2.427 50 40 GEGB CN(C)N(C(=O)c1ccc(C2SCCS2)cc1)[C@@H]1CCS(=O)(=O)C1 14085490 BLGUEAZVVNUFBV-CQSZACIVSA-N 386.564 2.271 50 40 GEGB CCn1nc(C(=O)NNC(=O)CSc2ccc(C)cc2)c2ccccc2c1=O 6928500 IQLITDHOTVLUGQ-UHFFFAOYSA-N 396.472 2.278 50 40 GEGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(OCC)c(OC)c2)cc1 7387490 NBGXVCYMBOHFHW-UHFFFAOYSA-N 394.449 2.116 50 40 GEGB O=C(NNC(=S)Nc1ccc2c(c1)OC(F)(F)O2)c1cc(O)ccc1O 1616040587 PSFMVVAPGGWLAX-UHFFFAOYSA-N 383.332 2.051 50 40 GEGB Cc1cc(C(=O)CCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)s1 6652643 SNQZMSRVAYEJBX-KRWDZBQOSA-N 388.445 2.315 50 40 GEGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)Cc2ccccc2)CC1 15018842 UWZKIMHMMVOMMY-RCCKNPSSSA-N 381.436 2.039 50 40 GEGB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)c(C)c1 16994595 VRMVSHOHANAVAR-XNTDXEJSSA-N 393.403 2.248 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)O 408967328 PXVOVXWKUFPADW-LSHDLFTRSA-N 385.351 2.323 50 40 GEGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 408598799 JUQDALOXULYGPS-XDHOZWIPSA-N 399.363 2.104 50 40 GEGB CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)OCCO1 408993406 DPHAVQAEOFULMA-CPNJWEJPSA-N 376.413 2.188 50 40 GEGB Cc1cc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)no1 250962666 KZLOMWQWZBZOHR-BGZDPUMWSA-N 392.047 2.409 50 40 GEGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NC1CCCCC1 23114848 JTVBGXDKAXHWPP-OBGWFSINSA-N 396.491 2.389 50 40 GEGB CCOc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)cc1 34237562 MDQMBLBWVCWLRA-VBKFSLOCSA-N 394.387 2.327 50 40 GEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2ccc(OC)cc2)cc1 100522653 WHFDWKDBRKMOSE-HZHRSRAPSA-N 383.448 2.445 50 40 GEGB CCOc1ccc(C(=O)NN)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224830093 DLBUGPPNLVDUAF-UHFFFAOYSA-N 397.884 2.163 50 40 GEGB N#CC(C#N)=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1636494 XWFGWXQZUMVIJX-UHFFFAOYSA-N 390.475 2.161 50 40 GEGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CCCC2 2420370 QJTVFHGCRIUKEM-VXLYETTFSA-N 389.433 2.485 50 40 GEGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccccc1 8993646 HEPKAXNMUIYLEI-JXAWBTAJSA-N 378.432 2.204 50 40 GEGB Cc1ccc(C(=O)NNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(C)c1 14802582 WSBUZDJBGCILCC-UHFFFAOYSA-N 392.459 2.481 50 40 GEGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1cnn(Cc2ccccc2)c1 24123929 FZNHRLGTSKXFOA-UHFFFAOYSA-N 388.225 2.097 50 40 GEGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 2223401 SKYJHQYWRNCRBL-MRXNPFEDSA-N 387.823 2.305 50 40 GEGB O=C(CCC(=O)N1CCc2ccccc2C1)NNC(=O)CCc1ccccc1 4700462 KMSYLPOVBVIWDK-UHFFFAOYSA-N 379.460 2.132 50 40 GEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(O)cc2)C(C)C)cc1 5814667 ZQVZOBAFEURZOQ-TYJAPOHBSA-N 389.477 2.154 50 40 GEGB COc1ccc(NCC(=O)NNC(=O)Cc2ccc(Br)cc2)cc1 6549708 YJKDSXLTYDBBRR-UHFFFAOYSA-N 392.253 2.260 50 40 GEGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(C)c(Cl)c2)c2ccccc21 100823388 UEUNERSKTVJLKD-HEHNFIMWSA-N 385.807 2.302 50 40 GEGB CCOc1ccccc1OCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 5467291 XXMCGPDIMQPHOI-DJKKODMXSA-N 387.348 2.251 50 40 GEGB O=C(COc1ccc(F)cc1)NNC(=O)CSc1nc2ccccc2o1 6559208 SNEJZHALARFPKI-UHFFFAOYSA-N 375.381 2.285 50 40 GEGB O=C(COC(=O)CCC(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 7395999 BATWQEJGFBVFAT-UHFFFAOYSA-N 388.807 2.307 50 40 GEGB CN(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 8042757 ODOCJAFEAUAAJR-VXLYETTFSA-N 383.832 2.250 50 40 GEGB CCCOc1c(I)cc(/C=N/NC(N)=O)cc1OCC 13747728 GYHSNUTXAAAYJJ-LZYBPNLTSA-N 391.209 2.481 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(C)=O 806437 ROUKRBINZSGSEL-KRWDZBQOSA-N 384.388 2.444 50 40 GEGB Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)Oc2[nH]nc(C)c21 943757 XWVJDGPFIDMSNC-MRXNPFEDSA-N 386.209 2.114 50 40 GEGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 8169273 HGUMAXRJBJRVLQ-DJKKODMXSA-N 377.784 2.152 50 40 GEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCNC(=O)c1ccco1 12788264 WPNPYTUVEUPYPZ-CQSZACIVSA-N 395.415 2.168 50 40 GEGB CCc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 33689124 VVOMDTZIVHXZLV-QNGOZBTKSA-N 387.505 2.203 50 40 GEGB CN(CC(=O)N/N=C\c1ccc(O)cc1)S(=O)(=O)c1ccc2ccccc2c1 39986723 NNXGGNBXICASNA-BKUYFWCQSA-N 397.456 2.316 50 40 GEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1 408610590 OKSISQYMDJLYOW-FSJBWODESA-N 387.411 2.390 50 40 GEGB O=C(O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409005734 KMWZFBLSSUYDRQ-HYARGMPZSA-N 379.416 2.387 50 40 GEGB Cc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccco1)OCCO3 928332 PQAOSOOJAITZMT-UHFFFAOYSA-N 399.428 2.461 50 40 GEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4499417 YNPUXPIQPRMPQT-SFHVURJKSA-N 396.403 2.246 50 40 GEGB O=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8767841 UCVXVDRIHNWKKR-JXMROGBWSA-N 394.836 2.346 50 40 GEGB CCOc1cc2c(cc1/C=N/NC(=O)COc1cccc(N(C)C)c1)OCO2 409100659 WAFQEKCSHALHPO-SRZZPIQSSA-N 385.420 2.409 50 40 GEGB O=C(N/N=C\c1cc(Cl)ccc1O)C(=O)N/N=C/c1cc(Cl)ccc1O 104378263 INAJEDJILHVFMM-NORIJPHCSA-N 395.202 2.005 50 40 GEGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1C[C@H]1CCCO1 251330495 PBDLWOCYCCQQJA-ILAIQSSSSA-N 395.091 2.087 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408905862 AEWKOWOWNIEVAQ-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CCOc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC 32704973 PMJUHLZRFQEGHG-ZDNHAZOLSA-N 381.432 2.074 50 40 GEGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2F)s1 48108436 XFOFMZLGPVHRTG-LLVKDONJSA-N 396.465 2.140 50 40 GEGB O=C(COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1)NC[C@H]1CCCO1 58882758 UESQMFGNOBYLEE-DEYGKZMTSA-N 395.459 2.053 50 40 GEGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc4ccccc34)C2=O)cc1 100097024 SGAIOXDUPXTXHR-IBGZPJMESA-N 389.411 2.415 50 40 GEGB O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 102787683 HMVMZPDTROLCED-LBPRGKRZSA-N 398.810 2.281 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(C)(=O)=O 408906836 IVZFVCYXLSJJPF-DEDYPNTBSA-N 393.440 2.141 50 40 GEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409219750 UORIUVRUJNQCRI-REZTVBANSA-N 388.292 2.004 50 40 GEGB NNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1093333 YLJYPIIIHOBFIN-UHFFFAOYSA-N 388.276 2.174 50 40 GEGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1cc(Br)cs1 4721568 BCUCECYVDWNAFC-ASFVKJNISA-N 392.278 2.491 50 40 GEGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)Nc3ccccc3F)ccc12 6550053 FAQQQYJBCAGJCY-UHFFFAOYSA-N 385.351 2.472 50 40 GEGB COCCn1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C 8336663 NXSOAEYIVMGDEZ-VXLYETTFSA-N 375.498 2.401 50 40 GEGB CN(CC(=O)N/N=C\c1ccccc1O)S(=O)(=O)c1ccc2ccccc2c1 16187491 YRZOCXNUDVSHJP-BKUYFWCQSA-N 397.456 2.316 50 40 GEGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2ccccc2)c1[N+](=O)[O-] 33343687 CFIDEFPTXTUMFG-GRSHGNNSSA-N 387.348 2.058 50 40 GEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c1 408778996 ONZLWBCZBCZAAV-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)ccc1O 1092137 APPYXHZVBBKIIA-RGVLZGJSSA-N 395.375 2.318 50 40 GEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 408772245 NDPQWVOYAPRTDL-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NN=C(c1ccccc1)c1ccccc1 11405435 UWLYIRMQIOGVAW-UHFFFAOYSA-N 398.422 2.259 50 40 GEGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc2c(c1)OCC(=O)N2 32848598 NHDLVIRAOLGVHN-UHFFFAOYSA-N 391.383 2.011 50 40 GEGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1OC 4675814 XNOPQTKFNDPJPB-UHFFFAOYSA-N 386.429 2.480 50 40 GEGB CC(C)C[C@H](C(=O)NNC(=O)c1cccs1)N1C(=O)c2ccccc2C1=O 8936968 XBDUPBWXYYNRBY-CQSZACIVSA-N 385.445 2.220 50 40 GEGB CC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)C(C)C 12860732 FGZAJHVMKZZUBR-SWLSCSKDSA-N 383.876 2.032 50 40 GEGB CCOC(=O)N1CCN(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 36589705 JAZYEJZLWKMNCJ-QINSGFPZSA-N 383.857 2.253 50 40 GEGB Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1cccnc1)C(C#N)=C(N)O2 1471842 XATPFMRYQGIVTJ-GOSISDBHSA-N 388.431 2.057 50 40 GEGB O=C(COc1ccc2nccnc2c1)NNC(=O)c1ccc(C(F)(F)F)cc1 4696103 YVRSEDVTUCJFQP-UHFFFAOYSA-N 390.321 2.489 50 40 GEGB Cn1/c(=N\NC(=O)c2ccc(CS(C)(=O)=O)cc2)sc2ccccc21 104082081 WNFQDEUDSHWJBD-HTXNQAPBSA-N 375.475 2.030 50 40 GEGB COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1[N+](=O)[O-] 408861953 GWHGIQFXHUBMHY-CAOOACKPSA-N 375.410 2.253 50 40 GEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 5744885 IHJRRACSPFLUFR-VXLYETTFSA-N 386.364 2.009 50 40 GEGB O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1cccc(Cl)c1 12998242 IRWGSMHMQLZGSS-UHFFFAOYSA-N 382.807 2.071 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 101314046 OCVCQIYQFZGVDP-SJZWRUIUSA-N 397.280 2.319 50 40 GEGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408611328 QPXAYZQLELERAG-OGBFJMLUSA-N 399.422 2.150 50 40 GEGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)OC 409237582 ABOIIPYUWWGJCN-UUYOSTAYSA-N 388.395 2.469 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 958262 NFWJBYGBJQPHKR-ODCIPOBUSA-N 398.444 2.012 50 40 GEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)nn1C 2794789 VUPPFLQGPDYDNQ-VIFPVBQESA-N 396.314 2.361 50 40 GEGB COc1ccc2oc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(C)c2c1 3435787 BYSGFSCMCURNMI-QGZVFWFLSA-N 382.372 2.351 50 40 GEGB N#CC1(C#N)CC(C=O)=C(N)[C@@]1(C#N)CC(=O)c1ccc(Br)cc1 4981265 ZQTLTAPBQSPODG-KRWDZBQOSA-N 383.205 2.381 50 40 GEGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cc(Cl)ccc1O 10600844 NRIOUXWYUDPVME-UHFFFAOYSA-N 389.795 2.195 50 40 GEGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(OC)c1 23358573 COGNDVWYTRIHEE-HYARGMPZSA-N 383.448 2.300 50 40 GEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2)cc1 39986593 QXTYVROFLHZNQH-ODLFYWEKSA-N 379.869 2.419 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1 408732322 UMLHYEHZPXWESI-XDHOZWIPSA-N 388.497 2.426 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(OC)c1 5513233 IJPOFHLIKZTNCQ-SRZZPIQSSA-N 375.812 2.124 50 40 GEGB CC(=O)NNC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 5554928 KQZHZUSZIXPBPX-WQLSENKSSA-N 383.882 2.099 50 40 GEGB O=C(CN1CCCc2ccccc21)NNC(=O)c1cnn(-c2ccccc2)c1 8139267 VCKLOXJPYAQCMU-UHFFFAOYSA-N 375.432 2.086 50 40 GEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(C)nc3onc(C)c23)cc1 54393753 ZYPIUFSTVNZXDR-ZDUSSCGKSA-N 398.419 2.467 50 40 GEGB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408683246 HSLZXXBJUPZGSU-AJCKKNKHSA-N 399.172 2.243 50 40 GEGB COc1ccccc1C(=O)NNC(=O)c1ccccc1I 722485 OVSJCFRDUBKONJ-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1OC 3067348 XJHNQSGQDHBHMW-HZHRSRAPSA-N 381.432 2.069 50 40 GEGB biogenic COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 408766693 FBUKNSIORFMCRF-WSDLNYQXSA-N 399.447 2.128 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(OC)c1 408907048 LGVUTKRCLBJZRF-WMRWHDLOSA-N 385.420 2.208 50 40 GEGB Cc1nc2ccc(NC(=S)N[C@H]3CS(=O)(=O)C[C@H]3Cl)cc2s1 575422138 MLNWXBDLYZAJRW-KOLCDFICSA-N 375.928 2.296 50 40 GEGB C[C@@H](Br)C(=O)OC[C@H](CCl)OC(=O)[C@@H](C)Br 1689288 XKWSDRMROLAMCQ-QYNIQEEDSA-N 380.460 2.247 50 40 GEGB COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O1 4189170 IRRFESUOZZVVCD-ZDUSSCGKSA-N 397.200 2.469 50 40 GEGB N#Cc1cc(Br)ccc1OCC(=O)N/N=C1/C(=O)Nc2ccccc21 5528387 OCGKVGMAQAAUFV-UHFFFAOYSA-N 399.204 2.172 50 40 GEGB C/C(=N/NC(=O)CNc1ccccc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25763403 VJTYKXLHPAPAFT-BKUYFWCQSA-N 393.407 2.436 50 40 GEGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(Cl)c3)C2=O)cc1 100097007 BFQBINPPGOUUEA-MRXNPFEDSA-N 387.823 2.305 50 40 GEGB CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 409389375 PYWJSODDFZUYMX-KNTRCKAVSA-N 381.432 2.322 50 40 GEGB CCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 2631052 DYMNILPVZMQZGI-UHFFFAOYSA-N 384.823 2.453 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 7882322 INOJEYMYUSKZCZ-LBPRGKRZSA-N 375.787 2.293 50 40 GEGB O=C(NNC(=O)c1ccco1)c1ccc(NS(=O)(=O)c2cccs2)cc1 12521467 CVVYKIZFNYLRHL-UHFFFAOYSA-N 391.430 2.217 50 40 GEGB CN(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 6544485 QNASAXMPZAGNPW-VXLYETTFSA-N 383.832 2.250 50 40 GEGB COc1cc(/C=N\NC(=O)CC#N)c(Br)c(Br)c1O 30814008 KRFIIASBDRUHOZ-WCSRMQSCSA-N 391.019 2.290 50 40 GEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 32934801 TVTXAYNBWDUWPJ-LJQANCHMSA-N 396.491 2.429 50 40 GEGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 58882847 GAMAXLZLMZBAHC-VFOSSOBBSA-N 381.432 2.125 50 40 GEGB CN(C)c1cccc(OCC(=O)NNC(=S)NCCCc2ccccc2)c1 408586190 MJMCFLHGQKMWLZ-UHFFFAOYSA-N 386.521 2.260 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1OCC 5464376 KWSFBRBUAYPQIS-HZHRSRAPSA-N 381.432 2.417 50 40 GEGB CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 12810977 GOSHQZBLNBYXFJ-JARZOMNASA-N 398.415 2.095 50 40 GEGB CCn1c(NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 40049238 BXCHRMJCKVSBJJ-ZHACJKMWSA-N 379.376 2.481 50 40 GEGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](CC)C2 40160843 CZDFVPHOCAWELF-RWSFTLGLSA-N 380.514 2.107 50 40 GEGB CCc1nc(CN2CCN(C(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)CC2)no1 95973915 NCQVJHGUSFGNFU-GDZNZVCISA-N 397.317 2.230 50 40 GEGB COc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 1019771 OBOYJEBHEOGXRX-IEBWSBKVSA-N 375.432 2.059 50 40 GEGB COc1cc([C@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 1296013 XIFVIPBOUXUQRM-XLIONFOSSA-N 389.459 2.495 50 40 GEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)[C@H](O)c1ccccc1 5488960 OJMSGQDKJSQMOC-CNGOAVBNSA-N 394.181 2.247 50 40 GEGB CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1cccnc1)C(C#N)=C(N)O3 15083456 STDSSQSYSCDWFI-NSHDSACASA-N 376.401 2.116 50 40 GEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccco3)CC2)c1 59953183 WRNYFDUHLQMEFX-FYJGNVAPSA-N 385.420 2.299 50 40 GEGB Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccs2)ccc1Cl 2135970 GQAHDJSGLJVWPS-UHFFFAOYSA-N 383.882 2.424 50 40 GEGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3s2)cc1 3368820 NIEHCFCZROLXLR-UHFFFAOYSA-N 376.463 2.304 50 40 GEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(OC(F)(F)F)cc1 3370676 INENUFFAOABNPB-CQSZACIVSA-N 382.294 2.186 50 40 GEGB Cc1ccc(Cn2c(=O)c3c(nc4n(CCCl)c(C)c(C)n34)n(C)c2=O)cc1 10104439 LAKODMNFCSZPSR-UHFFFAOYSA-N 399.882 2.362 50 40 GEGB CCOc1cnc(C(=O)N/N=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2C)o1 2750587 SULGVKSCSPJCRX-UFWORHAWSA-N 384.352 2.240 50 40 GEGB CCCOc1ccc(C(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 6427528 GIRWQNZCFOLWNY-UHFFFAOYSA-N 386.452 2.099 50 40 GEGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6428415 QUIKNJLVQXQIHI-OEAKJJBVSA-N 396.447 2.071 50 40 GEGB O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(N2CCOCC2)cc1 8124645 UNHPGIRWCRUMFL-XQNSMLJCSA-N 378.476 2.426 50 40 GEGB COc1cc2c(cc1OC)[C@@H]1C/C(=N\NC(N)=O)C3=C(CCCC3=O)N1CC2 12864191 LQMVJMQZLXREQF-NSMHLIOHSA-N 384.436 2.038 50 40 GEGB biogenic CCn1c(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc2ccccc2c1=O 14367784 NDPYOCZAMUPHJT-SJCJKPOMSA-N 380.404 2.088 50 40 GEGB CCCCNC(=O)NNC(=O)c1cc(/C=C\c2cccc([N+](=O)[O-])c2)ncn1 17197318 ZMNZOGJJPMVXLR-FPLPWBNLSA-N 384.396 2.299 50 40 GEGB O=C(NCc1ccccc1OC(F)(F)F)NNC(=O)c1ccc2c(c1)OCO2 32870569 OWCBQHYJFXUOCW-UHFFFAOYSA-N 397.309 2.458 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 58915942 OFPIAODCEXXQTO-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 408721218 MQVDKZXAOUAXHX-LNOXHEFASA-N 385.420 2.040 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OC)s1 408731741 PNEXAHBDSDAQLZ-WOJGMQOQSA-N 375.454 2.368 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)cc1 409060311 POFYCJGCZLCMSB-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(I)c1 6345067 JSEUSMICNXXODB-UHFFFAOYSA-N 391.168 2.377 50 40 GEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1 7383543 GSWSZZFTYXENDN-AWEZNQCLSA-N 395.440 2.488 50 40 GEGB COc1cc(SC)ccc1C(=O)OCC(=O)NNC(=O)c1cccs1 6999970 RHOFIZZIEABIEW-UHFFFAOYSA-N 380.447 2.097 50 40 GEGB COc1cccc(NCC(=O)NNC(=O)c2ccc(Br)cc2F)c1 8710395 WRXVHJZKHJZURT-UHFFFAOYSA-N 396.216 2.470 50 40 GEGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C 252493623 NESQUOBJFPIGHA-RMOCHZDMSA-N 380.733 2.195 50 40 GEGB O=C(N/N=C/c1cn(CC(=O)N2CCCC2)c2ccccc12)c1ccncc1 409173196 HLYQRPUYFMFIPW-YDZHTSKRSA-N 375.432 2.423 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O 1579334 VEKSMSXVPDRSAR-DJKKODMXSA-N 377.784 2.152 50 40 GEGB COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7881903 IAMJPBUDFWMFHI-CYBMUJFWSA-N 387.823 2.163 50 40 GEGB O=C(COc1ccc(F)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1 15877706 GTXCCLGFIAMJMB-UHFFFAOYSA-N 386.301 2.450 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 20029032 NCUHKXSZCJDROI-YBFXNURJSA-N 392.253 2.491 50 40 GEGB O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 32118801 NZBBGWLLNJXGAW-UHFFFAOYSA-N 384.826 2.259 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(CO)c2ccccc21 100466611 VFDLXPHDPVIIGB-LTGZKZEYSA-N 394.214 2.189 50 40 GEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(O)c3)CC2)c1 409006942 SUZVPTVFEVDYLN-HYARGMPZSA-N 381.432 2.403 50 40 GEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3ccccc3F)cc2C1 3396557 BODQYPFVCWHZLZ-LLVKDONJSA-N 389.452 2.203 50 40 GEGB COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1ccc2c(c1)OCO2 6825607 UVSNPSVHZMEKCL-UHFFFAOYSA-N 393.446 2.203 50 40 GEGB Cc1cc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)no1 226929038 KZLOMWQWZBZOHR-KZVJFYERSA-N 392.047 2.409 50 40 GEGB O=C(N/N=C/c1cccc(I)c1)C(=O)NC1CCCCC1 408732990 CJEUQMPMGCKYCH-LICLKQGHSA-N 399.232 2.190 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(F)cc1 408768151 CINGWXZOWCDUEX-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1ccc(CCNC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1OC 5369468 KDPUUMMFBPRZDZ-JLPGSUDCSA-N 397.475 2.487 50 40 GEGB Cn1c(Cc2cccs2)nnc1SCC(=O)NNC(=O)c1ccccc1 5579324 QSVHYMPMMUGLAF-UHFFFAOYSA-N 387.490 2.021 50 40 GEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1OC 20065637 USKHWAZOEXAWOO-SFHVURJKSA-N 399.472 2.339 50 40 GEGB CCc1nc(CN2CCN(C(=O)[C@@]34CC[C@H](C[C@@H]3Br)C4)CC2)no1 101779355 NCQVJHGUSFGNFU-IIYDPXPESA-N 397.317 2.230 50 40 GEGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1OC 409322348 JGCSMMYOQWNDGR-MTJSOVHGSA-N 384.388 2.487 50 40 GEGB Cc1c(-c2ccc(/C=N/NC(=O)Cn3cc([N+](=O)[O-])cn3)o2)cccc1[N+](=O)[O-] 2405689 ZSGCWWWXBBCUHI-QGMBQPNBSA-N 398.335 2.418 50 40 GEGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1F 2621775 RXOFCAUCTYMXPA-UHFFFAOYSA-N 384.194 2.324 50 40 GEGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 5368596 YEPAQEZBFFCLIC-XMOVILSBSA-N 385.420 2.040 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)CC2=O)cc1 38162509 XOXBMXGQYWBHPJ-FPQGOQEYSA-N 396.403 2.366 50 40 GEGB Cc1ccc(C(=O)NN(C(=O)C(C)C)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 100131659 YHXKVYILVAFMOB-GOSISDBHSA-N 393.443 2.457 50 40 GEGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc(NC(=O)c2ccccc2)cc1 408863046 OOQVFIBRHLUHFL-XQNSMLJCSA-N 380.448 2.111 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(C)(=O)=O 408906339 GKFDXQUBPHBWHA-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COc1ccc(F)c([C@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5613236 IZAPOVZCJVRCTJ-MJGOQNOKSA-N 391.406 2.106 50 40 GEGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1OC 409021101 XXJRYAUDUNNMMP-WSDLNYQXSA-N 396.403 2.085 50 40 GEGB Cc1sc2ncn(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1C 1784055 HOIJZJHCQIYYIC-FBCYGCLPSA-N 385.405 2.133 50 40 GEGB CCc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 5477256 DSXUFUTVQHOGTB-OEAKJJBVSA-N 383.448 2.075 50 40 GEGB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccccc1 12942573 GJCIDQOBDGVFHN-UHFFFAOYSA-N 396.472 2.188 50 40 GEGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1cccnc1O 12979508 MUTQSKPDCAYHLY-UHFFFAOYSA-N 377.400 2.218 50 40 GEGB CC1=NOC(=O)[C@]12C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c1cccc(Br)c1 20840337 ZDUOLTXCQZABQO-SUMWQHHRSA-N 396.204 2.235 50 40 GEGB CC1(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)OCCCO1 408719312 LACRRZNMOXIYKL-CAOOACKPSA-N 385.214 2.171 50 40 GEGB COC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 408837945 PSPPNYLTKNDCCW-KEBDBYFISA-N 376.796 2.421 50 40 GEGB COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC#N 409379301 WQAOQRFGEFQWOD-JAIQZWGSSA-N 384.348 2.035 50 40 GEGB COc1cc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 1994699 GPTCPPIIVOSFQC-VCHYOVAHSA-N 388.336 2.213 50 40 GEGB COc1ccc(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1OC 4116520 OEGOSRVVPLVPIC-UHFFFAOYSA-N 396.491 2.366 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12849121 POICALIBJJSDCP-PXAZEXFGSA-N 390.823 2.403 50 40 GEGB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408688020 VMYJKDHJLXXFLH-OJVARPOJSA-N 393.237 2.155 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccc(F)cc1 408970169 BXPRPOBUEFGOCD-DHRITJCHSA-N 393.422 2.395 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1OC 948568 AYLLNZNSPUSYJP-YSRRJJCPSA-N 380.404 2.125 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc2c3c(cccc13)CC2 5527622 RFRDHSMYDWOYBM-CIAFOILYSA-N 397.456 2.448 50 40 GEGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 6272118 HENVWAHFEUXQLI-LSDHHAIUSA-N 389.452 2.061 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 101315246 CEDSNXFWJSXLAD-HKLAFJFVSA-N 397.280 2.319 50 40 GEGB COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408615599 RCPVISGVWCUYFM-ZDUSSCGKSA-N 387.823 2.163 50 40 GEGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4526051 MNCMHLIQPDLRSO-UHFFFAOYSA-N 376.756 2.281 50 40 GEGB CN(C)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 7437911 RQVVBQGNYNGDQS-UHFFFAOYSA-N 375.812 2.024 50 40 GEGB CCCCCCN1C(=O)/C(=C\NNC(=O)c2ccccc2Cl)C(=O)N=C1O 9088356 IFZZOPFVFPEUGY-QBFSEMIESA-N 392.843 2.321 50 40 GEGB CCOc1c(Br)cc(C(=O)NNC(=O)c2cc(C)no2)cc1OC 14245789 PJUUKUNPQXQQGX-UHFFFAOYSA-N 398.213 2.228 50 40 GEGB COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Cl)c1OCC(=O)O 408527384 NNKCOXGQWHHEMB-AWQFTUOYSA-N 392.795 2.341 50 40 GEGB N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 1423069 OOKWGEADCCVPDA-QFIPXVFZSA-N 383.411 2.493 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 5703931 DEHHYMUTQMSUCI-AWEZNQCLSA-N 385.395 2.039 50 40 GEGB O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(Br)o1 6971548 NQJBBELXCDYILC-UHFFFAOYSA-N 384.211 2.402 50 40 GEGB COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 5663541 CFUGHBUMEYSBNF-SJORKVTESA-N 387.823 2.489 50 40 GEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCCCC2)c1 7026643 QCRFLSKTHAUDRV-UHFFFAOYSA-N 381.498 2.058 50 40 GEGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1C[C@@H]1CCCO1 102627065 PBDLWOCYCCQQJA-UNQZSWDGSA-N 395.091 2.087 50 40 GEGB C[C@H](C(=O)N/N=C/c1ccn(CC(F)(F)F)n1)n1ccc(C(F)(F)F)n1 252496278 PFCYUSWAQJDNCM-YVERCTOFSA-N 382.268 2.372 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408603652 GSWPUDIJRXNHPO-YDZHTSKRSA-N 387.411 2.008 50 40 GEGB C#CCOc1ccc(Br)cc1/C=C1\S/C(=N\NC(C)=O)NC1=O 14162175 YJVATZWKTRGYPK-JYRVWZFOSA-N 394.250 2.072 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(N2CCOCC2)cc1 63890955 TYOXSPWQBYOQLU-UHFFFAOYSA-N 389.839 2.260 50 40 GEGB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1c(F)c(F)cc(F)c1F 102401371 SSEKFUVTRYEFIO-DTORHVGOSA-N 387.333 2.251 50 40 GEGB O=C(NNC(=O)c1ccccc1O)c1ccc(I)cc1 1013828 LBNIBHQHAZKZME-UHFFFAOYSA-N 382.157 2.072 50 40 GEGB Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)oc2ccccc12 12800552 PKZYMCHAJZZNPO-UHFFFAOYSA-N 386.433 2.109 50 40 GEGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1 45958116 MQNZMOOXKDWQBZ-SNVBAGLBSA-N 387.661 2.404 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)cc1C 409054458 AETQLRMABBOFQD-MSXFZWOLSA-N 386.415 2.188 50 40 GEGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409366547 VYJBRPASZVHHJK-XKZIYDEJSA-N 398.415 2.093 50 40 GEGB CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)c1 8566580 VHRIRHFOWWSQAX-UHFFFAOYSA-N 387.461 2.433 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 9885378 KAYOVMXTCCKFHN-GOSISDBHSA-N 395.459 2.203 50 40 GEGB Nc1ccc(C(=O)NNC(=O)CNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 11652235 BMVXZEBXIWXEAZ-UHFFFAOYSA-N 397.313 2.069 50 40 GEGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(O)=NC2=S)cc1 33926308 NSIYWIHVKJCYDR-UVTDQMKNSA-N 396.428 2.107 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 58913982 AIPABKRCGPRMFR-UUYOSTAYSA-N 390.871 2.350 50 40 GEGB CC1=C(C(=O)OCCCBr)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 4083933 JOBIZEPBSRBTAF-AWEZNQCLSA-N 397.225 2.371 50 40 GEGB O=C(CI)N[C@H](Cc1ccc2ccccc2c1)C(=O)O 8382154 CGTIVLUYQQMXDB-CYBMUJFWSA-N 383.185 2.387 50 40 GEGB in-vitro CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 18142824 OPKXEIHTRBOKFU-HEHNFIMWSA-N 385.807 2.384 50 40 GEGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1nn(C)cc1[N+](=O)[O-] 2317998 YNZIGSOKAWOTEO-QGMBQPNBSA-N 387.787 2.240 50 40 GEGB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NNC(=O)c1cccs1 7779982 NSBHEIOKBUAZKR-UHFFFAOYSA-N 385.401 2.330 50 40 GEGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 17160601 ZKKRDBSLUQMPIZ-UHFFFAOYSA-N 376.332 2.071 50 40 GEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2O)C(C)C)cc1 408760262 VOPYGCXNAUXJPS-TYJAPOHBSA-N 389.477 2.154 50 40 GEGB N#CCC(=O)Nc1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1 6510538 OMHQMKNEOVXXCW-UHFFFAOYSA-N 386.408 2.231 50 40 GEGB O=C(CSc1cccc2cccnc12)NNS(=O)(=O)c1cccc(F)c1 9384430 VUYZGKRPCSWYSD-UHFFFAOYSA-N 391.449 2.476 50 40 GEGB CCCCCn1c(SCCCBr)nc2c1c(=O)[nH]c(=O)n2C 12373959 HVEKGJHBEWPLDS-UHFFFAOYSA-N 389.319 2.491 50 40 GEGB Cc1ccc(SCC(=O)NNC(=O)C[C@@H](C)NC(=O)c2ccccc2)cc1 12930581 LKKHMPJRZABGIF-OAHLLOKOSA-N 385.489 2.443 50 40 GEGB CCc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 32779784 KNGDORJFPHHVIX-UHFFFAOYSA-N 379.376 2.418 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 36144859 UUHVNNWLCNMJDJ-GRSHGNNSSA-N 389.364 2.019 50 40 GEGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1 9235637 QPJHFRYPUCJFAG-NBVRZTHBSA-N 391.427 2.470 50 40 GEGB O=C(N/N=C1/C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc(F)cc1 22920836 JWJRAISBKPQENH-GFMRDNFCSA-N 378.451 2.111 50 40 GEGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNC(=O)c1cccc([N+](=O)[O-])c1 101459021 FVGWAWDSTZOKIL-GZTJUZNOSA-N 379.376 2.444 50 40 GEGB CCOC(=O)N1C[C@H](Br)[C@@H](Br)CN1C(=O)OCC 4972847 AYXQOHJSFDTFJE-YUMQZZPRSA-N 388.056 2.359 50 40 GEGB COc1ccc(C=NNC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1OC 12082259 AYLLNZNSPUSYJP-ZDUSSCGKSA-N 380.404 2.125 50 40 GEGB COc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 28773006 CVDRPLQETOGPHX-LBPRGKRZSA-N 387.823 2.163 50 40 GEGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)c(OC)c1 408879306 DWLKGGFYHKQRLQ-LFIBNONCSA-N 397.431 2.357 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)OC 408965048 FSTWPPZYBHREAW-FOKLQQMPSA-N 399.378 2.412 50 40 GEGB CCn1cc(Br)c(/C(C)=N\NC(=O)c2ccnn2C(F)F)n1 6490151 RFZUDAOLJUVYNV-IDUWFGFVSA-N 375.177 2.411 50 40 GEGB COc1cccc(CC(=O)NNC(=O)COc2ccc(Br)cc2)c1 8327493 NGWSOZGLBXLEIW-UHFFFAOYSA-N 393.237 2.227 50 40 GEGB CC(C)(C)c1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 8346552 NUNQWXVBSNBXRL-UHFFFAOYSA-N 378.436 2.099 50 40 GEGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1O 96834026 QYFQELNUOQPYGV-IUXPMGMMSA-N 397.172 2.164 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1 6843599 YHTUHCFTDNFYHH-CIAFOILYSA-N 386.404 2.410 50 40 GEGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)c1 20210136 BNMJDINJNULADK-DEDYPNTBSA-N 393.440 2.141 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)CCN2C(=O)[C@H]3CC[C@](C)(C2=O)C3(C)C)cc1 100854400 KFXWCDTXHOGDKU-FSYQRQADSA-N 398.507 2.404 50 40 GEGB COc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1 831995 HPVWJLDTWUCKLZ-UHFFFAOYSA-N 379.210 2.298 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC 1898775 PAISOZOKUFSTNP-RGVLZGJSSA-N 382.424 2.302 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)COc2cccc(F)c2)cc1OCC 2651428 FJAVBGDMKFJLLI-UHFFFAOYSA-N 376.384 2.463 50 40 GEGB COC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 3402093 RXHNHEUJSYXKSD-WOJGMQOQSA-N 378.406 2.461 50 40 GEGB Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C2 10400432 RLKKDINCVCDHIO-FZKQIMNGSA-N 381.457 2.498 50 40 GEGB CC(C)(C)c1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2cccnc2)cc1 5669368 RNEPYOYPYVRHPN-UHFFFAOYSA-O 382.469 2.170 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 20210410 QBEHOQDCQDRQIF-GZTJUZNOSA-N 381.479 2.063 50 40 GEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33500372 TVJSFIOJUPKNIK-ZDLGFXPLSA-N 388.336 2.213 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccccc1 37866263 ICMOKENNPRPTOP-ZMOGYAJESA-N 375.432 2.256 50 40 GEGB CN1/C(=C(\C#N)C(=O)CSc2nnnn2Cc2ccco2)Nc2ccccc21 102675653 NTSDJGWAAAZFPS-GHRIWEEISA-N 393.432 2.273 50 40 GEGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(C)(=O)=O 408779327 VDBGZZFKIHLPBW-XSFVSMFZSA-N 389.477 2.261 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OS(C)(=O)=O 2149968 DIJAJQCITTYKSC-VXLYETTFSA-N 397.840 2.236 50 40 GEGB COc1ccc(F)c([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4631488 IZAPOVZCJVRCTJ-PKOBYXMFSA-N 391.406 2.106 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 14134533 NPHVHKPVDWGPNE-RGVLZGJSSA-N 381.344 2.028 50 40 GEGB Cc1ccc[n+]([C@@H]2[C@H](c3ccccc3[N+](=O)[O-])C(C#N)=C(S)N[C@@]2(C)O)c1 95481006 GTDKYJDJOOCBLX-LMMKCTJWSA-O 383.453 2.492 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=S)NC(=O)/C=C/c1ccco1 4950562 TWVBAYJJPMWRLM-FNORWQNLSA-N 379.825 2.291 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 59459763 QNDLZHXLEOFMMI-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C)c1)c1ccc(OC)cc1 59490247 QMEIEASJUOOXCR-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C 408589034 KKMCGJPHOZMJBO-LPYMAVHISA-N 399.447 2.484 50 40 GEGB O=C(NNC(=O)C1CC1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109383 VKKRZAMBLFDEJJ-UHFFFAOYSA-N 380.231 2.374 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc(C)c1Cl 102202411 IOBFGALSNJVENI-APYUEPQZSA-N 392.839 2.006 50 40 GEGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 252496900 PULIKGAAQBDJNR-WPZNHYQYSA-N 375.423 2.369 50 40 GEGB N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)O 12504720 BDLNALUQJNZQQE-XFFZJAGNSA-N 389.209 2.180 50 40 GEGB CC(C)(C)NC(=O)CC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCCC1 40069596 BIZLGFZMQUXEHW-UHFFFAOYSA-N 377.460 2.381 50 40 GEGB COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(OC2CCCC2)c(F)c1 95996556 NFIZEFQTEGQFHB-GFCCVEGCSA-N 383.420 2.351 50 40 GEGB COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Cl)c1OCC(=O)O 409383302 UBQXKLDBZQKHQG-ZVBGSRNCSA-N 391.811 2.374 50 40 GEGB Cc1nc2ccc(NC(=S)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)cc2s1 575422135 MLNWXBDLYZAJRW-GXSJLCMTSA-N 375.928 2.296 50 40 GEGB COC(=O)[C@@H](Br)[C@H](CCCN1C(=O)c2ccccc2C1=O)OC 1708934 MNZQZIFGDCWBCL-STQMWFEESA-N 384.226 2.014 50 40 GEGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 2332471 QVZRVVUWAWIJLR-MRXNPFEDSA-N 397.431 2.421 50 40 GEGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@@H]1COc2ccccc2C1 8734026 NZLOPZOKRUOYPB-OCCSQVGLSA-N 396.472 2.495 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 19953651 UKXKIJHNLREXFZ-HMHKGCENSA-N 393.440 2.139 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 13058970 UKXXHIMAEGVHLI-UHFFFAOYSA-N 382.825 2.125 50 40 GEGB CCCc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)nnn1-c1nonc1N 5478426 WQQKFZDQSCRVCO-KEBDBYFISA-N 382.428 2.072 50 40 GEGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1 7409188 QPILCHCFZRBBAY-UHFFFAOYSA-N 383.420 2.434 50 40 GEGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2C1 7962698 XVGXPABEURQFJZ-AAEUAGOBSA-N 398.550 2.095 50 40 GEGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccs1 21326498 ROTUNZNCVPHSFY-FZMZJTMJSA-N 393.440 2.069 50 40 GEGB CC/C(CC(=O)C(F)(F)F)=N\NC(=O)/C(C#N)=N/Nc1ccccc1[N+](=O)[O-] 100912618 ZSVPRHIOMDQSRP-BKBXBBPISA-N 398.301 2.290 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 12604788 KPTNQWPGRWUVQS-UHFFFAOYSA-N 377.422 2.187 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1OC 14244423 OOTFLOMSYCNDFN-SGTLLEGYSA-N 386.404 2.083 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1 20214761 HQFPVQDWZZVSRB-RNEAKCBISA-N 395.506 2.452 50 40 GEGB CCN1c2ccccc2C2=C([C@@H](c3cccnc3)C(C#N)=C(N)O2)S1(=O)=O 20558401 VCOVZDUAYRKMOS-INIZCTEOSA-N 380.429 2.428 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 2661055 RSVKUUWKVDDYQQ-GFCCVEGCSA-N 378.812 2.342 50 40 GEGB N#CC1=C(N)Sc2nc(O)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 5491207 NJOOONDLDMKASJ-VIFPVBQESA-N 377.223 2.169 50 40 GEGB N#CC1=C(N)Sc2nc(O)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 5491220 NJOOONDLDMKASJ-SECBINFHSA-N 377.223 2.169 50 40 GEGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=S)NCc1ccccc1 7989212 BPHVLCSJYMXLKD-UHFFFAOYSA-N 384.461 2.070 50 40 GEGB Cc1ccc(C)c(SCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 12753454 ZXKGYRIRNOIWLL-UHFFFAOYSA-N 396.472 2.104 50 40 GEGB CN(C)N(C(=O)c1ccc(C2SCCS2)cc1)[C@H]1CCS(=O)(=O)C1 14085492 BLGUEAZVVNUFBV-AWEZNQCLSA-N 386.564 2.271 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 19955319 ODMUQYWKGGTQDZ-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccccc1Cl 20493197 IVUNYEVFSCGZQH-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COC(=O)c1ccc([C@@H]2[C@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 245377366 KBLRNVGKQOQYOE-GEALJGNFSA-N 399.454 2.359 50 40 GEGB COc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)cc1 1067260 XNZHRILXXCVZEY-NRFANRHFSA-N 385.383 2.410 50 40 GEGB CN1C(=O)C(=Cc2ccc3c(c2)CCN3CCCCl)C(=O)N(C)C1=S 2403327 YNXDLYCEXGOTLP-UHFFFAOYSA-N 377.897 2.277 50 40 GEGB O=C(/C=C\c1ccc(Br)cc1)NC(=S)NNC(=O)c1ccco1 6192158 LQHGOJVTPOAODN-YVMONPNESA-N 394.250 2.391 50 40 GEGB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCO2 14800510 QEHUBWBJZNUJNA-UHFFFAOYSA-N 396.378 2.432 50 40 GEGB CCOc1ccccc1OCCCC(=O)NNC(=O)COc1ccccc1C#N 14891241 MDUAHCMBXSBXLG-UHFFFAOYSA-N 397.431 2.342 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211760 NJUSMCLXHZYNHY-YBFXNURJSA-N 395.481 2.464 50 40 GEGB C/C(=N\NC(=O)CN1CCOCC1)c1cccc(NC(=O)c2ccccc2)c1 408720345 ZJMMJEGHHBPGEK-XQNSMLJCSA-N 380.448 2.111 50 40 GEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 675139 RWTGFTFJRKLRHH-LSDHHAIUSA-N 375.425 2.077 50 40 GEGB COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC 5550242 UVDDRVGAYVQLGT-JKSUJKDBSA-N 375.812 2.122 50 40 GEGB CCOC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 13811460 FYTFXCWEYSHTIJ-RLFXIDKPSA-N 396.447 2.087 50 40 GEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1 13897719 AENIVAVTMXJRDP-MAUKXSAKSA-N 379.370 2.237 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3F)C2=O)cc1 100986470 XXYLVVXEIJPHSZ-QGZVFWFLSA-N 385.395 2.181 50 40 GEGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccco3)s2)cc1 825484 YMBJLRSXDFJTNC-VCHYOVAHSA-N 385.405 2.085 50 40 GEGB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=O)c1ccccc1 7985026 PVDVYFAOSTVEOH-MRXNPFEDSA-N 375.375 2.180 50 40 GEGB Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)n1 14514512 FCFZPMIZYWVSRR-UHFFFAOYSA-N 397.888 2.190 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 408785075 XKESPRUCSFWCNZ-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(N)=O 408913476 MQBHTNYFNDOBAX-FOKLQQMPSA-N 399.447 2.095 50 40 GEGB CCCCOc1c(I)cc(/C=N/NC(N)=O)cc1OC 2102042 UFSUAOILIPCJHY-LZYBPNLTSA-N 391.209 2.481 50 40 GEGB COc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 5489647 OMSLUSPVMAPCMN-VQIMIIECSA-N 375.432 2.059 50 40 GEGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 15904494 CNQYMPZSJJHJKZ-KRWDZBQOSA-N 377.400 2.082 50 40 GEGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccn2)c(Br)c1 40142847 BBXXIAQONHRLCY-NSHDSACASA-N 378.226 2.381 50 40 GEGB Cc1cc(C)nc(SCC(=O)NNC(=S)NCCCc2ccccc2)n1 408585884 KLIFPCKBWBHPIA-UHFFFAOYSA-N 389.550 2.314 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 19953824 SFBWLPSXBBDQSG-OOWUWCJESA-N 389.477 2.308 50 40 GEGB CCN1CC=C2[C@H](C1)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 34914265 SYSMEPKWADLCTQ-PKOBYXMFSA-N 387.443 2.218 50 40 GEGB CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102043102 ZUUWZTOCWKSJGN-ZUNBFSOLSA-N 378.384 2.354 50 40 GEGB COC(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1OC 408858093 JLPHWSZKRLAKSC-RGVLZGJSSA-N 388.376 2.378 50 40 GEGB N#CC1=C(S)N[C@H](c2cccnc2)[C@@](C#N)(C(N)=S)[C@@H]1c1cccnc1 2314823 OBBLUHIVXCKYME-RKVPGOIHSA-N 378.486 2.366 50 40 GEGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1 5674105 KIYSOOSGCKJAFD-MYKHOSTDSA-N 388.424 2.359 50 40 GEGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C 9725744 RXSKIZMIFSQARB-UHFFFAOYSA-N 394.430 2.213 50 40 GEGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccc1O 12853417 MFHSNOWJJBPEDF-JTQLQIEISA-N 379.210 2.383 50 40 GEGB CCOc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 13137111 HZUWHJCPOGUMMY-FMIVXFBMSA-N 385.376 2.233 50 40 GEGB COc1c(O)ccc(/C=N\NC(=O)COc2ccccc2Cl)c1[N+](=O)[O-] 13940506 COQBPTAVPGTTAY-LSCVHKIXSA-N 379.756 2.492 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(F)c3)C2=O)cc1 100161596 GQAVQVXGTVMFQO-QGZVFWFLSA-N 385.395 2.181 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(Br)cc2)c1 2662443 NSYJPBAWAGKGMO-UHFFFAOYSA-N 393.237 2.470 50 40 GEGB CCCOc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2ccc(C)cc2)C1=O 3375215 VBLOGQTWEUZTGS-MRXNPFEDSA-N 381.432 2.350 50 40 GEGB Cc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2Cl)C(=O)N=C1O 9012582 GRZLKRXRUFYYHV-RAXLEYEMSA-N 398.806 2.254 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1Cl 59433925 UJDXBTQOYFWDCX-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)O 408750120 XNOJQTZBQBJHMU-VXLYETTFSA-N 387.348 2.221 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409142784 DJLLEWKHUAIUIL-SRZZPIQSSA-N 384.388 2.050 50 40 GEGB C=CCOC(=O)C1=C(C)N(CC=C)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517078 QXGRBOJNQQBMKH-NRFANRHFSA-N 377.400 2.042 50 40 GEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 4610853 SGVWFMUKBWWFCH-SSDVNMTOSA-N 390.827 2.379 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c(OC)c1 8473040 WNVIZHVHPWHOCJ-VXLYETTFSA-N 389.364 2.393 50 40 GEGB C[C@@H](C(=O)NNC(=O)[C@H](C)n1cnc2ccccc21)n1cnc2ccccc21 40158865 QQFNYAMVFXOJOR-KBPBESRZSA-N 376.420 2.356 50 40 GEGB CSCCc1ccc(NC(=O)C(=O)NNc2nc(-c3ccncc3)no2)cc1 96013263 HQUVCIPWSLEEDL-UHFFFAOYSA-N 398.448 2.119 50 40 GEGB O=S(=O)(c1ccc(/N=N\N2CCOCC2)cc1)N(CCCl)CCCl 104153397 ASYGFSFCGUPYQQ-ZCXUNETKSA-N 395.312 2.486 50 40 GEGB O=C(Cn1nnc2ccccc21)NNC(=S)Nc1cccc(C(F)(F)F)c1 642499 CYTVYBYXJAJHTG-UHFFFAOYSA-N 394.382 2.468 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccccc2)cc1C 2135288 PLUUDOBVINNRMG-UHFFFAOYSA-N 375.450 2.032 50 40 GEGB Cc1nc(CC(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cs1 7380170 NTRFOWZQKHIDGJ-UHFFFAOYSA-N 380.278 2.311 50 40 GEGB C[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1 8298501 LUZCIXHYHVKNFA-XRNSAIHHSA-N 376.478 2.381 50 40 GEGB Cc1csc(SCc2ccc(C(=O)NNc3nnc(C)c(=O)[nH]3)cc2)n1 11334890 LDTBIWJZXLOHJV-UHFFFAOYSA-N 388.478 2.287 50 40 GEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 19955381 LVCVGYGOKKHFIB-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)c1C 32531844 XJLREOIVXGGYPD-UHFFFAOYSA-N 399.428 2.173 50 40 GEGB O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 40140416 YJVKCAYSQYKLQA-HZPDHXFCSA-N 389.795 2.345 50 40 GEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 408729808 DHEYXPIVVFWPEF-VCHYOVAHSA-N 391.453 2.161 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(N)=O 408814979 ZYVBSUWFGJEVAP-FBJMNJBLSA-N 379.416 2.344 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N 408906805 KPQRQEZJHMVTJZ-FSTGKYBXSA-N 394.431 2.396 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)o3)[C@H]2C1 803630 WPVQPXRSHYKSNH-RDJZCZTQSA-N 377.404 2.470 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc(C)c1Cl 5959915 ZPMYSLVNAALTSX-KOZAUXTDSA-N 394.855 2.230 50 40 GEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1Br 12917655 XHDLCQPZJMJYHG-AWEZNQCLSA-N 395.184 2.189 50 40 GEGB Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)[nH]n2)cc1 14301581 DZIPQHGRZMINMF-UHFFFAOYSA-N 392.341 2.062 50 40 GEGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccccc1 19797806 DYIYWSYOJXGJFH-HYARGMPZSA-N 383.448 2.057 50 40 GEGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 27026438 RUJVNUZHZFTWFN-KMPOOHAWSA-N 392.477 2.084 50 40 GEGB O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1I 788190 CGRJAYGNEDACHD-UWVGGRQHSA-N 384.217 2.488 50 40 GEGB CCCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccnc1 1361277 OYXGTNLTYCNUFO-UHFFFAOYSA-N 396.476 2.303 50 40 GEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1Br 6438847 UZAVMGAJMBSCOA-RYUDHWBXSA-N 383.242 2.410 50 40 GEGB Cc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S 17162366 XTYAAXVBWJANMC-JLHYYAGUSA-N 396.428 2.107 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1O[C@H](C)CN(C)C 18200762 QXFHPRCMWJDKKH-ZMZPIMSZSA-N 383.452 2.274 50 40 GEGB COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)c(OC)c1OC 223150068 NENGKMBTRPVIDR-JMIUGGIZSA-N 391.811 2.455 50 40 GEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408612465 VNWLLYNUXGBRQL-FSJBWODESA-N 387.411 2.390 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408706788 DSWCWUAQMIRMIL-OEAKJJBVSA-N 398.463 2.350 50 40 GEGB CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(NC(=O)CCCCCl)cc1 585138453 RPVAITIYWLQJMX-UHFFFAOYSA-N 389.905 2.390 50 40 GEGB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)n1 1586116 COKRDMPUMMQVNT-UHFFFAOYSA-N 383.861 2.255 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)ccc1O 5512576 YANFZOAQSLUTOC-ODCIPOBUSA-N 396.230 2.474 50 40 GEGB COc1ccc(C(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1OC 34106331 NGSFEYRFSDLRBK-ZHZULCJRSA-N 392.408 2.154 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 59433920 SZFSCVNCSFACGG-KEBDBYFISA-N 391.811 2.455 50 40 GEGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 100487648 QTYZTIBVLBGDLF-MHWRWJLKSA-N 392.367 2.229 50 40 GEGB Cc1nc2ccc(NC(=S)N[C@H]3CS(=O)(=O)C[C@@H]3Cl)cc2s1 575422140 MLNWXBDLYZAJRW-ONGXEEELSA-N 375.928 2.296 50 40 GEGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 4953621 IDZCBGDGYIBIDN-NTEUORMPSA-N 380.360 2.313 50 40 GEGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(C)C)c2)cc1 6551215 RWUVCUOWRNZTCA-UHFFFAOYSA-N 375.450 2.213 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1OC 14244421 OOTFLOMSYCNDFN-XIKOKIGWSA-N 386.404 2.083 50 40 GEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 28213958 LWTOEOLAOGCJDI-WSDLNYQXSA-N 383.448 2.428 50 40 GEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)c(Br)c1 1091270 WWOLZMDWYIJWHI-FBCYGCLPSA-N 392.209 2.446 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1750035 KORCBVQVDNRANK-KRWDZBQOSA-N 379.416 2.077 50 40 GEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)[C@@H](C#N)c1ccccc1 6951675 IOHPYSDZQJWPSZ-CKMDTHJYSA-N 378.432 2.289 50 40 GEGB C[C@H](Sc1nnc2n1CCCCC2)C(=O)NNC(=O)c1ccc(F)cc1 8390142 VOBOJSFKERXRSX-NSHDSACASA-N 377.445 2.085 50 40 GEGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1Nc1ccccc1 24127213 HFRNOPVNNSKWIL-CQSZACIVSA-N 387.461 2.016 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)cc1C 58912198 QQOQUVQTZDKCGM-BLTFUYFMSA-N 396.491 2.456 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(N)=O 658631 YICWNUFDWDPBSU-SFHVURJKSA-N 397.431 2.010 50 40 GEGB CCN1CC=C2[C@H](C1)[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 971504 SYSMEPKWADLCTQ-HKUYNNGSSA-N 387.443 2.218 50 40 GEGB CC(=O)Nc1ccc(/C=N\NC(=O)N/N=C\c2ccc(NC(C)=O)cc2)cc1 31628815 QIDYEEXJPZBKSQ-ACXSEBCSSA-N 380.408 2.271 50 40 GEGB COc1ccccc1NCC(=O)NNC(=O)c1ccc(-n2nccc2C)cc1 32883655 FXVMIFVEPPKIHQ-UHFFFAOYSA-N 379.420 2.062 50 40 GEGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 102957638 ZUXSYGHEIPKRQZ-JXMROGBWSA-N 383.264 2.383 50 40 GEGB O=C(NNC(=O)c1cnc2ccccn2c1=O)c1cc2c(s1)CCCCCC2 12737316 QQFAQEDKUPFJAH-UHFFFAOYSA-N 396.472 2.490 50 40 GEGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 19952786 PHLTVHMJXLFJKG-DEDYPNTBSA-N 384.417 2.020 50 40 GEGB N#CC1=C(N)NC(S)=C(C#N)[C@H]1c1ccccc1I 27026686 GKKVFLJJHPKXDF-NSHDSACASA-N 380.214 2.337 50 40 GEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 409263246 LVMARGZIYWJQLW-IKMPRTQCSA-N 396.447 2.069 50 40 GEGB CCOc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccc(Cl)cc3)C2=O)c1 2221351 TXUAAXNSSAFDHA-INIZCTEOSA-N 387.823 2.305 50 40 GEGB Cc1cc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)o1 3343606 SYKDSNATBLAOHF-UHFFFAOYSA-N 387.411 2.349 50 40 GEGB COC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)cc1 58872886 UHNFWPVOQQJQEZ-UFFVCSGVSA-N 380.404 2.267 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1OC 59516040 WAEOLBVBVCEOPJ-LFVJCYFKSA-N 395.459 2.459 50 40 GEGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc2c(c1)OCO2 13142016 HIDQMKGDTKKXEF-UHFFFAOYSA-N 388.177 2.264 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC 15384227 WKVHERDRVSNVQL-LBPRGKRZSA-N 376.384 2.462 50 40 GEGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 409015423 RYBPDJNSXZLPST-KGENOOAVSA-N 397.435 2.261 50 40 GEGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 409045167 FNAHXGXSKOZWJZ-DJKKODMXSA-N 387.348 2.121 50 40 GEGB Cn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccccc1 1033633 FJOBUKITUHJRIP-KEBDBYFISA-N 395.444 2.453 50 40 GEGB Cc1cccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 4575004 RUCGVOBBKXVHPN-FYJGNVAPSA-N 398.419 2.269 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cncn1-c1ccccc1 7131893 KDRDTLCBQHCBBP-UHFFFAOYSA-N 396.472 2.374 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1 19954948 HESQJZBMVABWIZ-HMMYKYKNSA-N 389.477 2.392 50 40 GEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CN2CCCCCCC2=O)c1C 48065875 JLKQRKKTHVVKHS-INIZCTEOSA-N 375.469 2.011 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(OC)c3)CC2=O)cc1 408614832 IQUFZPBBNTUIAH-INIZCTEOSA-N 381.432 2.072 50 40 GEGB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CI)C3)[nH]1 2056226601 VUYINNRXEIHQAX-NSHDSACASA-N 389.237 2.164 50 40 GEGB CC(=O)N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21 6719112 WGHJQYRSNVOXNU-FCFMXISVSA-N 377.448 2.453 50 40 GEGB biogenic COc1cc2c(cc1OC)[C@H]1C/C(=N\NC(N)=O)C3=C(CCCC3=O)N1CC2 12864198 LQMVJMQZLXREQF-IKMPRTQCSA-N 384.436 2.038 50 40 GEGB biogenic COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 30552471 ZGQKZQTWYXNUDK-ZDUSSCGKSA-N 387.823 2.163 50 40 GEGB Cc1cnn(CCC(=O)NNC(=S)Nc2cnn(Cc3ccccc3C)c2)c1 2798238 UOJRZANCYQIWIO-UHFFFAOYSA-N 397.508 2.153 50 40 GEGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 7708747 SFXMLWQDMMEGJV-UHFFFAOYSA-N 387.461 2.054 50 40 GEGB O=C(CCCCC(=O)NNC(=O)C1CCCCC1)NNC(=O)C1CCCCC1 8399780 LBHNAKZNQFUJPE-UHFFFAOYSA-N 394.516 2.002 50 40 GEGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc([N+](=O)[O-])c1 9518713 YSCOYOLKWAEZGK-UHFFFAOYSA-N 375.348 2.481 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OCC)c2)CC(=O)N1 970662 ISYKQYVFFVLHBQ-GFCCVEGCSA-N 376.434 2.426 50 40 GEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC=C)c1ccccc12 1768073 FWWUSTOTGADVTL-NRFANRHFSA-N 377.400 2.184 50 40 GEGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 3140213 CFFFEKIDJPYPFR-UBKPWBPPSA-N 376.716 2.237 50 40 GEGB CCOc1cccc2cc(C(N)=O)/c(=N\NC(=O)c3cccc([N+](=O)[O-])c3)oc12 34890928 AUOTUNRXQALUPM-ZBJSNUHESA-N 396.359 2.084 50 40 GEGB CCNC(=S)NNC(=O)CSc1nnc(SCc2ccccc2)s1 2318683 ISTDPSKGYXAYJJ-UHFFFAOYSA-N 399.592 2.438 50 40 GEGB NC(=O)N[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1 14081258 KIOKKNIYWDKIIU-OBCXLNGBSA-N 390.509 2.211 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 15144824 FABWHFDQONKORF-DJKKODMXSA-N 376.210 2.077 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102201996 MWFOLYCIDAGJGK-LUVWLHFXSA-N 388.464 2.257 50 40 GEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2O)c([N+](=O)[O-])c1 105414553 NIZSGQTXENUQEE-RGVLZGJSSA-N 386.364 2.444 50 40 GEGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Cl)c1O 409178200 JLXVSIJJGRYMBV-IFRROFPPSA-N 377.784 2.345 50 40 GEGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl 716357 AEYPMWZYEXSZSY-STQMWFEESA-N 379.825 2.137 50 40 GEGB COc1cc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC 1994696 RRYYOTDOVFCCMK-VCHYOVAHSA-N 388.336 2.213 50 40 GEGB CCC[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccccc1 12800411 VRCZWJSGIOQJLS-HNNXBMFYSA-N 388.493 2.325 50 40 GEGB CCCCCCn1nc(C(=O)NNC(=O)c2cccnc2)c2ccccc2c1=O 13121559 OICFFQGYTSXNRW-UHFFFAOYSA-N 393.447 2.447 50 40 GEGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839240 AZJIHILGLGWLJD-UHFFFAOYSA-N 379.391 2.039 50 40 GEGB CCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28289421 SYFCLSMYILCDQB-UHFFFAOYSA-N 381.801 2.225 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1c(F)cccc1F 408615404 PXQPIJOHVOMJAR-JTQLQIEISA-N 393.777 2.432 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2ccc(I)cc2)cc1 831991 HITHNSZJVYNGHR-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB O=C(/C=C/c1ccc(Br)cc1)NC(=S)NNC(=O)c1ccco1 2214878 LQHGOJVTPOAODN-VMPITWQZSA-N 394.250 2.391 50 40 GEGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CCCC2 2426223 DWTGUVBGTXOINI-GIJQJNRQSA-N 375.406 2.095 50 40 GEGB N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3204558 FWSPXUONBBLADD-PXLXIMEGSA-N 396.472 2.497 50 40 GEGB COc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(O)=NC2=S)c1 4856647 GMTIDIYITPTZLZ-RVDMUPIBSA-N 396.428 2.102 50 40 GEGB COc1ccc(C(=O)NNS(=O)(=O)c2cc(Br)ccc2C)cc1 7420341 FMDNMDDDTAYRET-UHFFFAOYSA-N 399.266 2.389 50 40 GEGB CCn1c(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)nc2ccccc2c1=O 14367782 NDPYOCZAMUPHJT-PXAZEXFGSA-N 380.404 2.088 50 40 GEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)s1 408731765 PPZTXPJRHPTNDQ-XDHOZWIPSA-N 388.497 2.426 50 40 GEGB O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1I 788195 CGRJAYGNEDACHD-NXEZZACHSA-N 384.217 2.488 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1 5205701 TZTVOFNGTFJBNP-QGOAFFKASA-N 395.506 2.453 50 40 GEGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1ccc(Br)s1 7652744 NKGQAHYMAZIHIH-UHFFFAOYSA-N 397.250 2.286 50 40 GEGB COc1cccc(NCC(=O)NNC(=O)c2cc(Br)ccc2F)c1 12521855 CBTITPAIAIYZKQ-UHFFFAOYSA-N 396.216 2.470 50 40 GEGB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O 102304164 STLMWWWFSXUZDF-AWEZNQCLSA-N 387.823 2.224 50 40 GEGB CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 6891792 SHRKSNHNLAGIAB-CIAFOILYSA-N 383.404 2.351 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1cc(-c2ccccc2)n[nH]1 16151082 OWBKDPFMAJXAKN-UHFFFAOYSA-N 396.350 2.117 50 40 GEGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21 101560588 AGGHHSJZEXMJTA-FLFQWRMESA-N 392.459 2.294 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc(F)c1 408616714 ZZBAITUPWVPIIU-GFCCVEGCSA-N 375.787 2.293 50 40 GEGB O=C(CNc1ccccc1)NNC(=O)COc1cccc(Br)c1 8729382 XNXGVPSZLWDZRK-UHFFFAOYSA-N 378.226 2.087 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1 226861188 STLSLYIVAYVECV-UHFFFAOYSA-N 397.412 2.470 50 40 GEGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 9365306 AZZHSCGNFCQYPF-MEDUHNTESA-N 376.796 2.095 50 40 GEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1 16693892 YTKPURQCEKAYOM-AQTBWJFISA-N 378.432 2.447 50 40 GEGB O=C(CCN1CCSC1=O)NNC(=O)c1ccc(COc2ccccc2)o1 40007691 XLPMZWKYSWLYQH-UHFFFAOYSA-N 389.433 2.179 50 40 GEGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 59247989 VTXFMUHKIPNCAW-QGMBQPNBSA-N 377.740 2.476 50 40 GEGB NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1 409261864 DTDIWRZWRPUILE-OCKHKDLRSA-N 376.210 2.077 50 40 GEGB O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1ccc(Cl)cc1Cl 2320747 LMHHWWXENLFBHK-UFWORHAWSA-N 391.218 2.498 50 40 GEGB O=C(CCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccccc1 4676506 AEXWHHMITXREHF-UHFFFAOYSA-N 383.492 2.447 50 40 GEGB C[C@H](Br)C(=O)OC[C@@H](CCl)OC(=O)[C@@H](C)Br 4727145 XKWSDRMROLAMCQ-RRKCRQDMSA-N 380.460 2.247 50 40 GEGB O=C(N/N=C1\c2ccccc2-n2c1nc1ccccc1c2=O)c1ccc(O)cc1O 5483700 QOGYXHTTWVWLKF-LYBHJNIJSA-N 398.378 2.293 50 40 GEGB CCCn1nc(C(=O)NNC(=O)c2ccc(OCC)cc2)c2ccccc2c1=O 12923979 BIKCIEXSHITNSI-UHFFFAOYSA-N 394.431 2.280 50 40 GEGB O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccco1 21196894 HOIDOMJVGJJMTG-UHFFFAOYSA-N 391.430 2.217 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)cc1C 58912194 QQOQUVQTZDKCGM-VWXZLZIGSA-N 396.491 2.456 50 40 GEGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409109357 CBWZVWWASUEZBS-CPNJWEJPSA-N 375.450 2.245 50 40 GEGB Br[C@H]1C[C@H]2C[C@H](C[C@@H](Br)C23OCCO3)C12OCCO2 4277140 OSPRNWJVZBLALK-DBIOUOCHSA-N 398.091 2.430 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 8811017 HFMNCMJZYYRLPE-VXLYETTFSA-N 389.364 2.393 50 40 GEGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c1 2350235 RMXIRIHCQZTQMH-GIJQJNRQSA-N 380.422 2.487 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(O)c3)[C@@H]2C1 4452916 YHOIIWHLEKDMFC-QZTJIDSGSA-N 389.415 2.274 50 40 GEGB O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)NCc1ccco1 28214928 FEALTAZWRMDDAR-FOKLQQMPSA-N 378.388 2.134 50 40 GEGB COc1cc(C(=O)NN)cc(I)c1OCc1ccccc1 226365058 PKBNWHHKEGJRDB-UHFFFAOYSA-N 398.200 2.482 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1Br 6646910 CAJMHYNTBJZMPP-QWRGUYRKSA-N 399.241 2.110 50 40 GEGB CCCCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 12420070 RKFABTAMHDTJEP-HSDQKXRGSA-N 379.416 2.494 50 40 GEGB O=C(N/N=C\c1cc(Cl)ccc1O)C(=O)N/N=C\c1cc(Cl)ccc1O 104378259 INAJEDJILHVFMM-DWVBSFERSA-N 395.202 2.005 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(OC)c1 408608235 VNRCZQAHICLJIC-OAHLLOKOSA-N 386.433 2.262 50 40 GEGB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NNC(=O)C1CCCCC1 12986598 SQYPDFGBYKEODQ-UHFFFAOYSA-N 396.373 2.087 50 40 GEGB Cc1cc(C)nc(SCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)n1 14359775 IEADOEQDFQLZSQ-QJOMJCCJSA-N 383.477 2.461 50 40 GEGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(CC2CC2)C1 47435587 OHTDXHQKBYCFKR-SNVBAGLBSA-N 386.330 2.315 50 40 GEGB O=C(N/N=C/c1ccc(I)cc1)[C@H](O)c1ccccc1 59502292 KLLARMCUPONECO-NGWPFTMJSA-N 380.185 2.475 50 40 GEGB N#C/C(=C\c1ccccc1)C(=O)NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104184930 DPLQXMYYGOBWBN-YIULSMNQSA-N 388.427 2.111 50 40 GEGB NNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408635632 GFBYFNQLPHBLKQ-UHFFFAOYSA-N 390.248 2.163 50 40 GEGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1[N+](=O)[O-] 5273108 BRVKVGIORGCLHB-UHFFFAOYSA-N 394.181 2.197 50 40 GEGB Cc1ccc(C(=O)NCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 40017280 FHQQDZVFKTVMDB-UHFFFAOYSA-N 391.427 2.104 50 40 GEGB C[C@]1(NNC(=O)NCC2(c3cccc(F)c3)CCCCC2)CCS(=O)(=O)C1 95373564 LCPVADARLVYMTQ-SFHVURJKSA-N 397.516 2.409 50 40 GEGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 5373406 YEPAQEZBFFCLIC-LNOXHEFASA-N 385.420 2.040 50 40 GEGB Nc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 8718317 LHWBODPQIYOLDO-UHFFFAOYSA-N 379.170 2.014 50 40 GEGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc([N+](=O)[O-])c1O 30833240 IHFDVSBYJZVVCE-LSCVHKIXSA-N 379.756 2.492 50 40 GEGB COc1cc(OC)cc(C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 5030288 QGDRNCHWOHJTLS-SJORKVTESA-N 399.472 2.143 50 40 GEGB CCc1ccc(OCC(=O)NNC(=O)c2cccnc2)c(Br)c1 10039067 IPLRHGQBOUUPMR-UHFFFAOYSA-N 378.226 2.247 50 40 GEGB CCCOc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1OC 12943985 QXCKLTZFHWHSPO-UHFFFAOYSA-N 376.384 2.463 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(Cl)cc1 19954237 NOSUEEZTWXSARW-VXLYETTFSA-N 383.832 2.395 50 40 GEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 408729519 CALAMRACGRISKF-VCHYOVAHSA-N 391.453 2.161 50 40 GEGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(I)cc1 10118456 UNOVJBYYRSLKTG-LZYBPNLTSA-N 382.157 2.466 50 40 GEGB CCN(CC)c1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c(O)c1 30734304 LNPSZOXTRFCZMQ-NGFRJJTBSA-N 394.475 2.218 50 40 GEGB Cc1cc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)cc([N+](=O)[O-])c1C 59246940 KYGDVYIWTKRCTB-RGVLZGJSSA-N 386.408 2.254 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC 5539071 ULVIJVHHABQNOR-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 16203378 VISYTCFJBWGSMF-SNVBAGLBSA-N 376.344 2.004 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 19954849 BLOUOFGARBEIHI-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB COc1ccccc1-n1nc(C(=O)N/N=C/c2cccs2)c(C)c(C#N)c1=O 409055762 PTPKWOOATQHWTG-SRZZPIQSSA-N 393.428 2.247 50 40 GEGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c(C)o1 2618303 LEZMTWOZRWSMMB-UHFFFAOYSA-N 395.209 2.277 50 40 GEGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1OC 5514324 VSUWVKXCCRFZSC-WSDLNYQXSA-N 389.839 2.166 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc([N+](=O)[O-])c1O 8810999 JGXOCNSJKUTXER-VXLYETTFSA-N 389.364 2.480 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(OC)c1OC 7948533 FXWDUDUHPIAOEG-UHFFFAOYSA-N 396.403 2.177 50 40 GEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccccc1O 19850014 UTJIBQDLOLITQF-XKZIYDEJSA-N 386.883 2.314 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Br)s1 971491 NWCLGSUXTMRQFA-LLVKDONJSA-N 381.207 2.174 50 40 GEGB COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC 1633534 XPDCZPRYRUEWFS-JKSUJKDBSA-N 376.796 2.245 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNS(=O)(=O)c1ccccc1 2135286 OSOYCMCPEKCRFV-UHFFFAOYSA-N 381.841 2.068 50 40 GEGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1O 4723620 SYJZEDQVNCOICQ-KPKJPENVSA-N 381.226 2.319 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 6507296 JZXOUHDLOYWCEY-LPYMAVHISA-N 394.431 2.495 50 40 GEGB CN(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl 6544991 DRLMZCHYPDAJKC-CAOOACKPSA-N 390.248 2.357 50 40 GEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)[C@H](C#N)c1ccccc1 6951679 IOHPYSDZQJWPSZ-SYVPYPDPSA-N 378.432 2.289 50 40 GEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 8114353 XLLDNOHGOOXQLD-UDWIEESQSA-N 383.360 2.388 50 40 GEGB COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)n(C)c(=O)n2C 61720655 WGADTDANFNVMFZ-XYOKQWHBSA-N 396.428 2.271 50 40 GEGB COc1ccccc1/C=N/NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 408907490 PEHWOXVMPCSNFO-NFECSFHCSA-N 375.450 2.000 50 40 GEGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2C)c2ccccc21 5322982 SFEBKZCODCALFS-HNENSFHCSA-N 388.427 2.183 50 40 GEGB N#Cc1ccc(OCC(=O)NNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 8725343 QXJKCHALHAMIDW-UHFFFAOYSA-N 395.806 2.442 50 40 GEGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 59498822 GDUAMQQGOWSTEX-RQZCQDPDSA-N 390.425 2.124 50 40 GEGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 4502696 OINFLOUANXLUNV-UDWIEESQSA-N 378.425 2.010 50 40 GEGB Cc1ccc(C(=O)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 21876079 TUYMBWUZWLAYGN-UHFFFAOYSA-N 383.492 2.397 50 40 GEGB O=C(N/N=C\C=C/c1ccccc1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104064838 WMJCKEYQBWMJLW-NXGCWKMQSA-N 398.335 2.146 50 40 GEGB COc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc(OC)c1OC 674929 QPVYVSCREKUDKC-UHFFFAOYSA-N 388.420 2.169 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1 2310476 MRGOIXJTSQMIPQ-HZPDHXFCSA-N 388.445 2.029 50 40 GEGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3083483 QTIPODNVRCSZKH-KEBDBYFISA-N 382.332 2.328 50 40 GEGB O=C(CCCC[C@@H]1CCSS1)NCCn1c(O)nc2ncccc2c1=O 575610079 ZNAYOWWEJCYFMP-GFCCVEGCSA-N 394.522 2.327 50 40 GEGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3176013 CECKFVOLMJQPFQ-XFXZXTDPSA-N 393.371 2.481 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1cccs1 3376859 TZZDPQRSDKYWRI-FNORWQNLSA-N 394.836 2.428 50 40 GEGB CCOC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 5576704 FYTFXCWEYSHTIJ-LCYSWIRJSA-N 396.447 2.087 50 40 GEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1 7383545 GSWSZZFTYXENDN-CQSZACIVSA-N 395.440 2.488 50 40 GEGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 3085712 KUFKMCAOHLHRIW-UDWIEESQSA-N 379.376 2.487 50 40 GEGB CCCCc1nc2c(o1)NC(N)=C(C#N)[C@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 8783366 JJUYMMIMJJCFLA-SFHVURJKSA-N 380.364 2.283 50 40 GEGB CSc1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1-c1ccccc1 12547935 RMRLVZPBYXURKG-UHFFFAOYSA-N 396.428 2.398 50 40 GEGB COc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c(O)c([N+](=O)[O-])c1 409365083 PVVSHAWSRKVHBN-GRSHGNNSSA-N 389.364 2.019 50 40 GEGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCOC)cc1OCC 4544493 IHEOZMCIATWBSV-WJDWOHSUSA-N 390.436 2.087 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1OC 5100926 ZBHNLXLWUARKES-DACUGSJHSA-N 385.395 2.346 50 40 GEGB O=C(N/N=C/c1cc(I)ccc1O)c1ccccc1O 3664310 AVPPVJAAASWULK-LZYBPNLTSA-N 382.157 2.466 50 40 GEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C)cc1)c1ccc(OC)cc1 59490248 ZOVZTOBHDDJZNT-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)c1 408972886 WPSAOCUUNZUJNM-VWXZLZIGSA-N 396.491 2.456 50 40 GEGB COc1ccc(OC)c([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4452870 RCEHSXJOTGDHRA-HKUYNNGSSA-N 375.432 2.059 50 40 GEGB CCCc1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N 5477972 ITDAQEXDYIMVPD-SRZZPIQSSA-N 390.407 2.102 50 40 GEGB O=C1CCSc2ccc(C(=O)NNC(=S)NCc3ccccc3)cc2N1 22698487 BNOJQBDBKVAXSZ-UHFFFAOYSA-N 386.502 2.430 50 40 GEGB COc1ccc(NC(=O)NNC(=O)Nc2cccc(N3CCNC3=O)c2)cc1 72304741 WYKJDXHFZSSVDC-UHFFFAOYSA-N 384.396 2.083 50 40 GEGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccc(Br)o2)C1 2797510 DTIJWCVZTYRKBX-VHSXEESVSA-N 385.214 2.250 50 40 GEGB O=C(N/N=C/c1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 3285575 URJWRQFDPHMYMA-DEDYPNTBSA-N 375.425 2.374 50 40 GEGB Cc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 8042771 HVHPGZIGZBQZCF-YBFXNURJSA-N 379.869 2.419 50 40 GEGB CC(C)n1nc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2c1=O 13137137 UKXYOAZPVNVTSO-UFFVCSGVSA-N 378.388 2.470 50 40 GEGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(=O)[nH]c1 13930255 GOKZEKHULGEJLL-UHFFFAOYSA-N 384.219 2.302 50 40 GEGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2F)s1 48108433 XFOFMZLGPVHRTG-NSHDSACASA-N 396.465 2.140 50 40 GEGB CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1O 408919265 VOXZXHPWFLNXFU-IUXPMGMMSA-N 390.308 2.077 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c(O)c1 409393502 XWJKXHMSHXEBHV-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@H](Br)[N+](=O)[O-] 1905532 PWNPQGKYCNNKRX-MWLCHTKSSA-N 394.605 2.384 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 6544453 NOZJAFQKWZPAGV-XSFVSMFZSA-N 387.461 2.022 50 40 GEGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3O)C(O)=NC2=S)cc1 13799079 NSIYWIHVKJCYDR-GXDHUFHOSA-N 396.428 2.107 50 40 GEGB COc1cc(/C=N\NC(=O)CCc2c(C)n[nH]c2C)cc(OC)c1OC(C)=O 31841391 HYCGQOKJJLGYME-JMIUGGIZSA-N 388.424 2.052 50 40 GEGB O=C(O)Cn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 33600037 QVKHGUNTXLDILA-JMIUGGIZSA-N 380.360 2.327 50 40 GEGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)cc1 408536330 QXKFIDLAGNUSJN-SBUZPKSBSA-N 398.806 2.263 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408615360 PIWIPEDNFJTTRD-ZDUSSCGKSA-N 387.386 2.341 50 40 GEGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 409112530 DOSHHSKGIFLZOH-LDADJPATSA-N 390.421 2.145 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(Br)cc1O 1103888 MHRXDPILJSTEMI-JXDHDYMSSA-N 381.226 2.365 50 40 GEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC=C)c1ccccc12 1768075 FWWUSTOTGADVTL-OAQYLSRUSA-N 377.400 2.184 50 40 GEGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3115568 QZCZVVSSEVCQMV-YDZHTSKRSA-N 391.383 2.379 50 40 GEGB CCOc1cc(/C=N\Nc2nncn2N)ccc1N(CCCl)CCCl 4822457 STQJNJOSZGDKJY-GRSHGNNSSA-N 386.287 2.121 50 40 GEGB CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)ccc21 6634394 OQSOEOLJPDUTDU-UHFFFAOYSA-N 392.375 2.359 50 40 GEGB COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408923035 DUDAPTXHXNYCFL-ITRAFESCSA-N 375.450 2.000 50 40 GEGB NC(=O)Cn1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21 107957634 USAYKIGACZMKHO-AFPJDJCSSA-N 384.823 2.309 50 40 GEGB CN(C)[S@](C)(=O)=NC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1 585138364 JXIAVOVJHCZSFN-HSZRJFAPSA-N 395.934 2.162 50 40 GEGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 5774742 ZYKXEZPNNRNZOI-GIJQJNRQSA-N 386.260 2.422 50 40 GEGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCOCC2)cc1 19893240 SFFTURXGXGHUIC-HYARGMPZSA-N 381.432 2.054 50 40 GEGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109292 IEEDOVCVXSQBKB-UHFFFAOYSA-N 397.381 2.179 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2=O)cc1 59474746 GSIZITLKJQLIKM-URMYYVDKSA-N 395.415 2.317 50 40 GEGB COc1cc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)o2)cc(OC)c1OC 104708413 QWXODUNRSHDDPR-LUAWRHEFSA-N 390.421 2.180 50 40 GEGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408967409 QLWASYKJCPUXNE-LSHDLFTRSA-N 385.351 2.022 50 40 GEGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(F)cc2)CC1 4570271 LWVSXIDNTIJGIW-FYJGNVAPSA-N 385.399 2.250 50 40 GEGB C=CCN1C(=O)CS/C1=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 5601012 QEIRGPFASQRMME-ZBJSNUHESA-N 381.457 2.071 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317433 IOOPUFUCQOWKSF-LYQCPJKTSA-N 379.290 2.180 50 40 GEGB C[C@H](Sc1nnnn1C1CCCC1)C(=O)NNC(=O)c1cccc(Cl)c1 8130574 OPQZOQSVWDFMAG-JTQLQIEISA-N 394.888 2.383 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20493180 SOFMXVTUCHRSQF-YBFXNURJSA-N 395.868 2.265 50 40 GEGB CC(C)CNC(=O)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 23136066 BGSPNZPQPRLQHF-UHFFFAOYSA-N 376.844 2.150 50 40 GEGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)cc1 59498826 XWHRGTYWMGWHDH-VCHYOVAHSA-N 375.454 2.224 50 40 GEGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408611627 RFRYBRBQPGTIFD-UFFVCSGVSA-N 375.812 2.124 50 40 GEGB CCn1nc(C(=O)NNC(=O)/C=C/c2cccc(C)c2)c2ccccc2c1=O 6928542 KQWPICZERPOHBF-VAWYXSNFSA-N 376.416 2.199 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 20213936 IYTDFKZOABFLMX-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CCOC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(CCl)=C2C(=O)OC)cc1 1070161 IXPOSLUBHJCFJO-CQSZACIVSA-N 376.796 2.337 50 40 GEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccccc1O 408773749 IYCOTXNEFYOASJ-XMHGGMMESA-N 375.450 2.007 50 40 GEGB CCc1ccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)cc1 409054594 ABGSJOFEUNNIAI-ZMOGYAJESA-N 386.415 2.134 50 40 GEGB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1 36542269 OSDPNILRUDVVOR-WJDWOHSUSA-N 393.403 2.447 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59483184 WLEXDJGSDMBSGV-WSDLNYQXSA-N 389.839 2.132 50 40 GEGB CN1CCCN(C(=S)SSC(=S)N2CCCN(C)CC2)CC1 2013172 NXJOFTRBTBDSHB-UHFFFAOYSA-N 378.658 2.213 50 40 GEGB in-vitro O=C(N[C@H](O)CSS(=O)(=O)O)OCC1c2ccccc2-c2ccccc21 2560720 WCMLKCFZJRWCHE-MRXNPFEDSA-N 395.458 2.380 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H](O)c1ccccc1 3166496 MOQFWPNLVXBPRV-WZCGUGGKSA-N 394.181 2.247 50 40 GEGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 6528221 ZRTDCKMSVLPWAF-UHFFFAOYSA-N 384.826 2.259 50 40 GEGB COc1ccccc1N[C@H](C)C(=O)N/N=C/c1cn(CC(N)=O)c2ccccc12 48512816 TWLWRYVUXNZULZ-YTRQYYDFSA-N 393.447 2.086 50 40 GEGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 58882851 GAMAXLZLMZBAHC-AYBNGVQBSA-N 381.432 2.125 50 40 GEGB CC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1 59246470 HFAFXSOAQRTMED-XKZIYDEJSA-N 382.464 2.079 50 40 GEGB CCOc1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1 59427777 UQHCGAIHHMITCQ-SSDVNMTOSA-N 382.420 2.336 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 408909664 HQPVOTROLVNBBC-OVBDPADQSA-N 397.431 2.281 50 40 GEGB Nc1nonc1C(=O)N/N=C/c1cc(Br)c(Br)s1 3669241 MOJWCWTYARLMDM-SWGQDTFXSA-N 395.036 2.002 50 40 GEGB N#C/C(=C\c1cn(CC(=O)NC2CC2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 6644401 ZOWUMBRTWWMGJW-KAPURRDVSA-N 392.459 2.122 50 40 GEGB CN(C)N(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 8855595 AOYBTSFUTPERSI-RDFMZFSFSA-N 377.293 2.499 50 40 GEGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 28215488 VZZVFHHPSICFLU-RGVLZGJSSA-N 384.392 2.262 50 40 GEGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(C)cc1 34828574 BHEQITKJLARLOQ-NDENLUEZSA-N 389.477 2.083 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1[N+](=O)[O-] 59246457 ZDHNJZGNTVUJIX-MTJSOVHGSA-N 399.451 2.093 50 40 GEGB O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)c1ccccc1O 408852298 SAJBPGQJJUAIRG-ZDLGFXPLSA-N 394.225 2.348 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(O)c3)[C@@H]2C1 803698 YHOIIWHLEKDMFC-MSOLQXFVSA-N 389.415 2.274 50 40 GEGB O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1cncn1-c1ccc(F)cc1 7050406 JORLAESKZYQATB-ZHACJKMWSA-N 386.408 2.247 50 40 GEGB O=C(NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1 7273234 DZOPIGSAHQMMLU-UHFFFAOYSA-N 384.413 2.328 50 40 GEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1 12734525 OARXNLXADJABTR-AWEZNQCLSA-N 382.395 2.169 50 40 GEGB O=C(CCl)NCCCN(C(=O)C(Cl)Cl)c1ccc([N+](=O)[O-])cc1 4981438 HJBYYNWKAGNXMO-UHFFFAOYSA-N 382.631 2.477 50 40 GEGB Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1 6860409 PSAUDPPAJRFPBH-UHFFFAOYSA-N 377.853 2.363 50 40 GEGB O=C(COC(=O)/C=C/c1ccc(Br)o1)NNC(=O)c1cccs1 8156974 WDUSCRIWNUXLRS-GQCTYLIASA-N 399.222 2.121 50 40 GEGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 33718501 UPJMMNPWKYBMQS-RQZCQDPDSA-N 390.425 2.124 50 40 GEGB O=C(NN/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O)c1ccccc1 38181016 ILHKITDUSJLDAS-UVTDQMKNSA-N 384.392 2.232 50 40 GEGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 47080859 UJDVMVWBVNBEGH-GFCCVEGCSA-N 387.823 2.163 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)Cc1ccccc1 6584649 CGRVDLKJJREEOS-KEBDBYFISA-N 397.859 2.391 50 40 GEGB O=C(NNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccn1 40115819 NEOACVSJIORZPA-ZDUSSCGKSA-N 381.461 2.369 50 40 GEGB O=C(Cc1ccccc1)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O 101412276 KJOWFEBFHCFHOJ-GOSISDBHSA-N 376.243 2.422 50 40 GEGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)cc1 3408897 LABOSLVSFDXWFO-UHFFFAOYSA-N 394.431 2.338 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)c2cccc(O)c2)c(Br)c1 5927157 SJIPSURRXLNJGF-UHFFFAOYSA-N 379.210 2.303 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)no1 12855285 VKGTZBJJEBEACG-UHFFFAOYSA-N 390.396 2.015 50 40 GEGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 12998427 ILUFGXMITRQHCB-BDJLRTHQSA-N 376.796 2.095 50 40 GEGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N(C)C 59334960 WWVNSJRHUIVHKC-GHXNOFRVSA-N 381.226 2.386 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1Cl 59433924 CVSDKIXSBXPSTI-DJKKODMXSA-N 375.768 2.136 50 40 GEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 408977065 CQVZJNKMPOIDKX-FYJGNVAPSA-N 398.444 2.016 50 40 GEGB Cc1ccc(C(=O)NN[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 35682779 XDVXXMWUVPDGPK-QGZVFWFLSA-N 382.464 2.272 50 40 GEGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccccc1 2319857 LSWBWIDWHIMNDX-VXLYETTFSA-N 383.433 2.136 50 40 GEGB COc1ccccc1/C=N\NC(=O)CCCC(=O)N/N=C/c1ccccc1OC 4962634 VEFYYEFAZJNGLW-OQRYGUKSSA-N 396.447 2.475 50 40 GEGB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=N/NC(=O)c1cccc(Cl)c1 8018169 UTQDLFHRYUINCZ-VTNJTDAWSA-N 394.884 2.277 50 40 GEGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1 16292688 FVGWAWDSTZOKIL-BOPFTXTBSA-N 379.376 2.444 50 40 GEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102201994 MWFOLYCIDAGJGK-UHIXZJCNSA-N 388.464 2.257 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)cc2OC)cc1 409246515 CEEGZUBVZFLYFB-JCMHNJIXSA-N 383.448 2.233 50 40 GEGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1 5067038 ZFLQZBHEULRFKB-UHFFFAOYSA-N 396.428 2.305 50 40 GEGB COc1ccc(Cl)cc1N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O 22234049 YNAPXKGJQKOQKY-GFCCVEGCSA-N 389.843 2.252 50 40 GEGB O=C(N/N=C/c1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408858901 QTZSOVDNFNVRAD-CLXYIWAZSA-N 381.841 2.236 50 40 GEGB Cn1cccc1/C=N\NC(=O)COc1ccccc1I 409102692 SYZMYOOQGRIXFW-SXGWCWSVSA-N 383.189 2.159 50 40 GEGB O=C(NNC(=O)c1cccc2c1OCCO2)c1ccc(Br)cc1 1103296 QGDWFDUGFZVPPX-UHFFFAOYSA-N 377.194 2.295 50 40 GEGB O=C(CNC(=O)C1CCCCC1)NNC(=O)CSc1ccc(Cl)cc1 10224543 BPOIJNPICVLQHX-UHFFFAOYSA-N 383.901 2.276 50 40 GEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccc(F)cc3)CC2=O)c1 32755507 BFOMJYAWFZEWBF-INIZCTEOSA-N 383.423 2.131 50 40 GEGB COc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC 1479723 ZSXIOVPSWSGULM-UHFFFAOYSA-N 394.811 2.206 50 40 GEGB O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=S)Nc1ccccc1 22872465 YWTBNJHBDARYIL-UHFFFAOYSA-N 397.548 2.212 50 40 GEGB N#CC1=C(S)N[C@H](c2cccnc2)[C@](C#N)(C(N)=S)[C@@H]1c1cccnc1 106586342 OBBLUHIVXCKYME-IIDMSEBBSA-N 378.486 2.366 50 40 GEGB CC(C)[C@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408530525 MBSQQYOBRILUQZ-AWEZNQCLSA-N 397.273 2.463 50 40 GEGB COc1cccc(/C=N\NC(=O)N/N=C\c2cccc(OC)c2OC)c1OC 31628953 CDRXZHLYGXTGPO-ACXSEBCSSA-N 386.408 2.388 50 40 GEGB CCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2ccccc21 5791879 PYFXEUBDUGTEQD-DYTRJAOYSA-N 382.376 2.169 50 40 GEGB COc1cc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1 7960603 CJXUDXRBNGTJJI-XEHSLEBBSA-N 388.395 2.471 50 40 GEGB COC(=O)C1=C(C=O)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 22064928 NOJOPYUNEHPTPL-MRXNPFEDSA-N 388.376 2.133 50 40 GEGB in-vitro O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCCC2 40052370 PISZYDQPUBRIKK-ZDUSSCGKSA-N 375.494 2.179 50 40 GEGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2121982 FHMGSDQKLOXFNB-FSJBWODESA-N 397.431 2.013 50 40 GEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 59515641 NIUBHJKGTTZXIJ-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB CC(=O)c1cc(C(=O)NNC(=O)c2ccc(F)cc2Br)n(C)c1 64835627 KXKCNXBRZMUHJU-UHFFFAOYSA-N 382.189 2.204 50 40 GEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 943644 KKNGQRILOZDZGY-IZZDOVSWSA-N 382.376 2.418 50 40 GEGB Cn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1cccc([N+](=O)[O-])c1 2102345 YXYNXWYQIUHVFJ-VXLYETTFSA-N 397.420 2.028 50 40 GEGB COc1ccc(CC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 3396482 SXYMJTXMGGSXOF-UHFFFAOYSA-N 382.338 2.483 50 40 GEGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@H]1c1ccc(F)cc1 6495429 UOWWHYRWMPUBAG-CABCVRRESA-N 389.452 2.193 50 40 GEGB CC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)C(C)C 12860738 FGZAJHVMKZZUBR-WFASDCNBSA-N 383.876 2.032 50 40 GEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12 59459153 AOKMTMMAWBAZJY-KEBDBYFISA-N 395.331 2.450 50 40 GEGB CC(=O)NNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 881347 UQMGOTAIYXCCPK-UHFFFAOYSA-N 379.445 2.465 50 40 GEGB COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c(OC)c1OC 1080075 ULGGBLDKUYRMLN-KRWDZBQOSA-N 398.463 2.289 50 40 GEGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C)c2ccccc21 2235971 ROBZFQBJNSKXNL-QFIPXVFZSA-N 391.427 2.244 50 40 GEGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CCCC2)c2ccccc21 2313727 WLPPUGVAFRWMDS-FOWTUZBSSA-N 394.475 2.370 50 40 GEGB CCCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1OC 2799689 OGRDFABODBTOOZ-YHYXMXQVSA-N 386.189 2.481 50 40 GEGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCC(=O)O 4544344 XULCPWPRGYKOOT-CIAFOILYSA-N 386.404 2.250 50 40 GEGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccccc1Cl 4744615 RUJMHTWQXRHCOD-UHFFFAOYSA-N 387.852 2.068 50 40 GEGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 7520361 YMRLRENUTCWKKM-UHFFFAOYSA-N 381.454 2.340 50 40 GEGB COc1cccc(Oc2c(C)n[nH]c2-c2ccc(OCC(=O)NN)cc2O)c1 8742523 WYNSZCHDEKZCLB-UHFFFAOYSA-N 384.392 2.260 50 40 GEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1 20060399 HBYBLHPDTNXKMX-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408610877 OUXXGUFLCFLUIA-FSJBWODESA-N 387.411 2.390 50 40 GEGB O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccs1)c1ccco1 9883004 HIBSZHYQGPMGDD-CQSZACIVSA-N 383.429 2.143 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 15991416 HRYUYYBKAZDDNE-ZDUSSCGKSA-N 385.395 2.039 50 40 GEGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515825 IQJVSJLANLMYIW-ZMPUUUETSA-N 381.432 2.011 50 40 GEGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1C[C@H]1CCCO1 100839381 PBDLWOCYCCQQJA-SAVGLBRCSA-N 395.091 2.087 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1O 409264173 PNLGQIICVUJIAP-UFFVCSGVSA-N 375.812 2.129 50 40 GEGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc([N+](=O)[O-])cn1 1305790 HNHLDSJJRNCXEC-AWQFTUOYSA-N 395.375 2.318 50 40 GEGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 2241334 SKFDSGOOQPVMJH-GOSISDBHSA-N 397.431 2.039 50 40 GEGB CC(=O)Nc1cccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)n1 14183241 MVDHEOXEYYVSTH-UHFFFAOYSA-N 378.841 2.247 50 40 GEGB Cc1cccc(C(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 7735454 PSCAJLGEDJJYLR-UHFFFAOYSA-N 390.399 2.110 50 40 GEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 19953503 JTEWDVQVUBHUFG-NPRIEWAGSA-N 389.477 2.308 50 40 GEGB COc1ccc(CC(=O)N/N=C/[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1OC 102860979 WSCLGUVSDFTRBT-NEIHUHTASA-N 394.431 2.387 50 40 GEGB CCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 2651567 QPNMPLFEJUJQKU-UHFFFAOYSA-N 386.404 2.137 50 40 GEGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(C)c(Cl)c2)c2ccccc21 6199568 UEUNERSKTVJLKD-FXBPSFAMSA-N 385.807 2.302 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 8042747 HMWURECKCAIODV-YBFXNURJSA-N 395.868 2.119 50 40 GEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 59433292 UVRZCTCOJKJDLT-VCHYOVAHSA-N 388.336 2.213 50 40 GEGB CCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2F)c(O)c2ccccc21 100679917 BSLNXIXJRCZDBX-UHFFFAOYSA-N 383.379 2.331 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cccc(Cl)c1 408785299 YFMIRRLMXDLFDM-VXLYETTFSA-N 383.832 2.395 50 40 GEGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 409025522 WMFQETRZJOPWRO-DEDYPNTBSA-N 389.477 2.174 50 40 GEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc(O)c(O)c(O)c1 4155573 ZCDXTRBSPIOHOB-YAXRCOADSA-N 395.165 2.059 50 40 GEGB O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Br 4698928 GKNFIGWXHMVNNM-QGMBQPNBSA-N 390.193 2.267 50 40 GEGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCC(=O)N(C)C 6297424 GVCXSQASVPONPK-YDZHTSKRSA-N 398.463 2.115 50 40 GEGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 8778201 WQSHNAGAGMVZNF-UHFFFAOYSA-N 388.401 2.151 50 40 GEGB C=CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccnc1 15084415 PHYCMCNSTWSNNF-NSHDSACASA-N 378.417 2.196 50 40 GEGB COc1cccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 19816355 UBLKAZBJUCENGO-FUHWJXTLSA-N 375.432 2.059 50 40 GEGB CCn1c(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c(O)c2ccccc21 100551293 QKTHOVBZCNKWRK-UHFFFAOYSA-N 385.807 2.455 50 40 GEGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)N1CCCC1 409368804 NTOGNGIVJLROQI-KPKJPENVSA-N 379.210 2.442 50 40 GEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(I)o1 5750458 COUUOXBDPKDTRY-OVCLIPMQSA-N 399.144 2.485 50 40 GEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1Br 6438846 UZAVMGAJMBSCOA-VXGBXAGGSA-N 383.242 2.410 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 13922133 GYMHXTMZUKAXGC-KEBDBYFISA-N 391.811 2.455 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1c[nH]c2ccccc12 30600057 VKSHMFITUWRTKH-CYBMUJFWSA-N 380.404 2.074 50 40 GEGB Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 408728718 RYFAAGIMVVRUJA-REZTVBANSA-N 379.170 2.409 50 40 GEGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)c1 408774822 NIQXHSOQUDAWOL-HMMYKYKNSA-N 389.477 2.310 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 409177970 DBDQZNDCLJVLKI-YBFXNURJSA-N 398.331 2.288 50 40 GEGB C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1 3127131 HAQYUCIETNSGPA-VSMYLPJWSA-N 390.237 2.482 50 40 GEGB COC(=O)c1c(NC(=S)NNC(=O)c2ccccn2)sc2c1CCCC2 6735073 BFTIPFLCTSUVRB-UHFFFAOYSA-N 390.490 2.440 50 40 GEGB CCOC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 15895555 MTVMIMRTTWZTBT-UHFFFAOYSA-N 395.415 2.095 50 40 GEGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccccc1 25782939 ZNDQSPFBKHOODJ-CIAFOILYSA-N 388.391 2.054 50 40 GEGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 409347282 NPBKNVAMVQJNBT-CNSRZQHFSA-N 379.416 2.388 50 40 GEGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cncc(Br)c1 1234835 UBYIGRNUICDXQO-YAXRCOADSA-N 393.153 2.245 50 40 GEGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1OCC 4358270 MMUFNMOQNRRSEX-OEAKJJBVSA-N 384.436 2.036 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(O)c3)[C@H]2C1 4452917 YHOIIWHLEKDMFC-ZWKOTPCHSA-N 389.415 2.274 50 40 GEGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(OCC(N)=O)cc1 5942295 BWJXBPZUGMQKNJ-QGZVFWFLSA-N 387.399 2.159 50 40 GEGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 8303366 RNHLQGMOEGWESJ-WFASDCNBSA-N 394.541 2.353 50 40 GEGB COc1ccccc1NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 15935724 GBUFHHMGEKMSJW-UHFFFAOYSA-N 384.392 2.271 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 59433901 BTHRWNSWVCIEMS-DJKKODMXSA-N 375.768 2.136 50 40 GEGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)c1 408534528 MGOIYFIJIUARRU-SBUZPKSBSA-N 398.806 2.263 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 4679230 DZQIDIWIXYFISH-FSJBWODESA-N 377.400 2.233 50 40 GEGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(OC[C@H]2CCCO2)cc1 36892657 OFZLVTADFYCCTE-MRXNPFEDSA-N 384.388 2.048 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 59516257 DZYITDWVJFXUKP-KEBDBYFISA-N 389.795 2.224 50 40 GEGB Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101303569 CAUNOJBFFFMJKF-AAGTZJIKSA-N 393.317 2.489 50 40 GEGB CCc1nc(CN2CCN(C(=O)[C@]34CC[C@@H](C[C@@H]3Br)C4)CC2)no1 101779360 NCQVJHGUSFGNFU-DCGLDWPTSA-N 397.317 2.230 50 40 GEGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OC(C)C 408865178 BNWWKJNDOQDSBL-ONNFQVAWSA-N 386.189 2.479 50 40 GEGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)cc2OC)c1 409221643 UDQPSBBLFZFCSK-JCMHNJIXSA-N 383.448 2.233 50 40 GEGB COc1ccc(C(=O)NN[C@H]2C3=C(CCCC3)C(=O)N2C[C@H]2CCCO2)cc1 4600174 HGVQVILWIYQBIQ-VQIMIIECSA-N 385.464 2.148 50 40 GEGB COCCn1nc(C(=O)NN=C(c2ccccc2)c2ccccc2)ccc1=O 49573943 KWNJXPLVCZFAPK-UHFFFAOYSA-N 376.416 2.072 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317430 IOOPUFUCQOWKSF-VGNHOVESSA-N 379.290 2.180 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708309 OZUXJHRTPZCZHR-SSDVNMTOSA-N 392.818 2.435 50 40 GEGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3)s2)cc1 825472 RDGWGUQPIHZQNF-UDWIEESQSA-N 395.444 2.492 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(OC)cc3)CC2=O)cc1 16508668 JQMPLOBLBJABCJ-MRXNPFEDSA-N 381.432 2.072 50 40 GEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 36239658 UUHVNNWLCNMJDJ-VXLYETTFSA-N 389.364 2.019 50 40 GEGB CCOc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OCC 62715260 YYEHVWRRIJRKGN-AATRIKPKSA-N 388.287 2.124 50 40 GEGB O=C(NNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1)c1ccccc1Cl 4066916 VBLXOMRDSQLJDE-UHFFFAOYSA-N 383.795 2.390 50 40 GEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OC)ccc2[nH]c1=O 4131457 IQSXSNGMRLEMSP-GOSISDBHSA-N 393.399 2.348 50 40 GEGB COc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc(Br)c1O 11335590 YIIRMTQZHLYHGK-RUDMXATFSA-N 391.229 2.061 50 40 GEGB CC1=NOC(=O)[C@@]12C(N)=C(C#N)C(C#N)(C#N)[C@H]2c1cccc(Br)c1 20840345 ZDUOLTXCQZABQO-DYVFJYSZSA-N 396.204 2.235 50 40 GEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccnc3)CC2)c1 59953197 VZRNPKCJUNYFPA-OEAKJJBVSA-N 396.447 2.101 50 40 GEGB CC1(C)CC(=O)C(=CNNC(=O)c2cc(Br)ccc2O)C(=O)C1 3102219 WZURJVUAYNSHHS-UHFFFAOYSA-N 381.226 2.231 50 40 GEGB COc1ccccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1C 3426022 IWKHBLQNUCCQLF-UHFFFAOYSA-N 378.812 2.262 50 40 GEGB N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 3470289 MOFKIIOGXFCAJM-KGENOOAVSA-N 382.445 2.107 50 40 GEGB CCN(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(C)cc1 8051713 TZMOEFGQAPRCRF-UHFFFAOYSA-N 386.477 2.358 50 40 GEGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCC2 12908528 AAOSDWBLZKQFHS-UHFFFAOYSA-N 381.435 2.077 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 59459762 WXYJPLVIBDSZOO-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB COC(=O)c1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409257764 QCWJMRFUFKPEAO-MTEVNVADSA-N 379.416 2.285 50 40 GEGB Cc1cc(C(=O)NNC(=O)CNC(=O)Cc2cccc3ccccc23)c(C)o1 5062743 UQVDLXQFSYEDMN-UHFFFAOYSA-N 379.416 2.170 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5697885 XMTLZMQPAXCEKF-BNOWGMLFSA-N 382.844 2.454 50 40 GEGB C=CCc1cccc(/C=N/NC(=O)[C@H](c2ccncc2)N2CCOCC2)c1O 20057167 KAJCMEBDKYXEQE-CKMDTHJYSA-N 380.448 2.039 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299396 WKQKSFSQRMXHAF-LYQCPJKTSA-N 379.290 2.180 50 40 GEGB COCC1=C(C(=O)OC)[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1 4142790 OSXGSMFIVPKRAS-CYBMUJFWSA-N 379.210 2.330 50 40 GEGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1C 13078792 YULJAHFLYBWRKH-UHFFFAOYSA-N 394.474 2.175 50 40 GEGB Cc1cc(C)nc(NNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)n1 40145242 AQNNPIXYRCUDHN-UHFFFAOYSA-N 386.437 2.389 50 40 GEGB CCC(=O)N(NC(=O)c1ccc(C)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1=O 100131212 NQPBPKNXMIEKAT-QGZVFWFLSA-N 397.406 2.350 50 40 GEGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1 408768567 YJZFYAYIDHDERN-WSDLNYQXSA-N 394.387 2.200 50 40 GEGB Cc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408787363 YPQHJMSPLWVZGO-HTAGGTJDSA-N 395.459 2.433 50 40 GEGB COc1ccc(F)c([C@@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5613237 IZAPOVZCJVRCTJ-IEBWSBKVSA-N 391.406 2.106 50 40 GEGB Cc1ccsc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 8042760 HFCRWJIYUHKWBA-RQZCQDPDSA-N 385.898 2.481 50 40 GEGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1 45958118 MQNZMOOXKDWQBZ-JTQLQIEISA-N 387.661 2.404 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1Cl 59433922 KFVGZZKAPIXHTQ-DJKKODMXSA-N 377.784 2.152 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 59474747 MNWVJZVZRSIUDO-VRCTWVPOSA-N 396.403 2.497 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O 408748333 CABMSQGEYUBNII-VXLYETTFSA-N 387.348 2.221 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 408761244 DGSVRGDVUIPBOT-AUEPDCJTSA-N 379.338 2.262 50 40 GEGB N#CC(C#N)=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 2207370 AIMLBXGHAUXQCA-UHFFFAOYSA-N 382.427 2.452 50 40 GEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1 101824082 BZZBHOUYVDDPFR-LLVKDONJSA-N 394.250 2.077 50 40 GEGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cccc([N+](=O)[O-])c4)[C@@H]13)[C@H]2Br 408681558 FOIYSFUZBVDSLX-HKLHZYFVSA-N 381.182 2.104 50 40 GEGB N#Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 6448892 HPSNIJTYTWDULD-UHFFFAOYSA-N 377.322 2.346 50 40 GEGB O=C(COc1ccccc1)N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1 409192190 VJXSXYHWFVWPHG-DJKKODMXSA-N 398.404 2.393 50 40 GEGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1 6583662 ZLRKHDIKENDMKU-SRZZPIQSSA-N 375.812 2.124 50 40 GEGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 6890160 KYEJYVLIHOFPPN-GIJQJNRQSA-N 386.260 2.422 50 40 GEGB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2ccccc2)cc1 14119527 GPCWCBAINCFZKD-UHFFFAOYSA-N 397.460 2.468 50 40 GEGB Cc1ccc2c(c1)N(C(=O)OC(=O)N1C(=O)C(=O)c3ccc(C)cc31)C(=O)C2=O 100107695 AXIRVNCCXRHJTE-UHFFFAOYSA-N 392.323 2.319 50 40 GEGB C=CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 408993188 CPOTYXVTAFQXQS-NDENLUEZSA-N 381.860 2.086 50 40 GEGB COc1cc([C@@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 1296020 XIFVIPBOUXUQRM-FXAWDEMLSA-N 389.459 2.495 50 40 GEGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O[C@@H](C)C(=O)O 4698905 LVWYACZPSPXROV-VSMYLPJWSA-N 387.348 2.219 50 40 GEGB COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 5663506 CFUGHBUMEYSBNF-IAGOWNOFSA-N 387.823 2.489 50 40 GEGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(C(=O)OC)c1 8733067 JXTQAYWMOCLTMC-CYBMUJFWSA-N 385.258 2.482 50 40 GEGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)[C@@H]1COc2ccccc2O1 13584164 NWNXQISVSQTREZ-DUQUIBLKSA-N 378.388 2.176 50 40 GEGB C=C1CC(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)C1 408733201 GECCXUUTEAZFCB-FRKPEAEDSA-N 386.189 2.422 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)ccc1Cl 24910130 YQJQUCMMHHHCBU-UHFFFAOYSA-N 399.838 2.128 50 40 GEGB CCN1/C(=C(\C#N)c2nc(C#N)c(C#N)nc2N2CCOCC2)Nc2ccccc21 12635615 NFLMKWUCIZFUHY-XSFVSMFZSA-N 398.430 2.201 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 58911701 GXXWFHKECMWWGD-YDZHTSKRSA-N 384.480 2.314 50 40 GEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(OC)c1O 13847746 YRDJONIGLMZNMU-DJKKODMXSA-N 389.364 2.155 50 40 GEGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 4505809 UUUREYUPUXUUNE-PLRJNAJWSA-N 392.459 2.211 50 40 GEGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(N)=S)cc1OC 34869708 SUUXGVQWAOJNIM-YCRREMRBSA-N 385.239 2.203 50 40 GEGB COCC1=C(C(=O)OC)[C@@H](c2ccccc2Br)C(C#N)=C(N)O1 4474171 ATQGRPRLKJZKDA-ZDUSSCGKSA-N 379.210 2.330 50 40 GEGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(F)cc2)cc1OC 5514338 LIAMRYHEUVXHRD-YDZHTSKRSA-N 387.411 2.042 50 40 GEGB O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 6882736 JDTPVBLTUMHBLX-NBVRZTHBSA-N 377.353 2.045 50 40 GEGB CN(CC(=O)C(C#N)=C1Nc2ccccc2N1)Cc1nc2ccccc2c(=O)[nH]1 35399980 JZHPZTBHAJLREN-UHFFFAOYSA-N 386.415 2.197 50 40 GEGB O=C(N/N=C/c1cccc(I)c1)[C@@H](O)c1ccccc1 59502288 GUJKQCPFOMDOKA-FBJMNJBLSA-N 380.185 2.475 50 40 GEGB COc1cc(C=NNC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408737168 ABBXDVMEDUSJRX-UHFFFAOYSA-N 375.297 2.306 50 40 GEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccncc3)CC2)cc1OC 409005653 JAQNXBFLLJAOJN-OEAKJJBVSA-N 396.447 2.101 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c(O)c1 409391291 IYYBTCTULZJLLL-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccc(B(O)O)cc3)n2)cn1 585295271 SHLIWGLEGVZZFW-OAQYLSRUSA-N 399.263 2.109 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(Br)c3)ccc21 979564 UOCZDMGNLYSGJH-VXLYETTFSA-N 387.237 2.403 50 40 GEGB Br[C@H]1C[C@@H]2[C@H](C[C@@H](Br)C23OCCO3)C12OCCO2 4473232 KTSSPGNMSGIYQK-YNFQOJQRSA-N 384.064 2.039 50 40 GEGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1 8810988 RQCZKZCSJVVIAA-UDWIEESQSA-N 383.360 2.388 50 40 GEGB CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(F)cc2)nc1 12542444 QGDDUMOWEQURFA-UHFFFAOYSA-N 381.433 2.400 50 40 GEGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1C 58912240 QISYRGGOUQWDAV-OGBFJMLUSA-N 396.491 2.456 50 40 GEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 408906885 JWRHPJLUQXUDTD-HTMJNSLASA-N 395.506 2.452 50 40 GEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1cc(C)sc1C 9332089 KIJPYTUZGSMVDT-GIJQJNRQSA-N 388.457 2.188 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)cc1 408833440 KGEQYKDSQQPFIH-DOUQRPAJSA-N 382.464 2.148 50 40 GEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4688405 SWHFTCLROCMULE-MFKUBSTISA-N 388.427 2.427 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1cncn1-c1ccccc1 7131836 CIKMWVDTHHRQMD-UHFFFAOYSA-N 394.815 2.288 50 40 GEGB O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc[nH]c1=O 12605974 NZFICOVSTFNNOJ-UHFFFAOYSA-N 385.383 2.060 50 40 GEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 59515421 OIXFTKYIZSJHHM-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccncc1 710229 JNOVDEPIHIUMFA-UHFFFAOYSA-N 388.177 2.025 50 40 GEGB CCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 2357736 INNHSMUURGHUMY-SFHVURJKSA-N 397.431 2.421 50 40 GEGB CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(Br)s1 8024832 QKWMWVLOJGWDRD-UHFFFAOYSA-N 392.275 2.186 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1 13637965 BZSNVEVMHIOZQC-UHFFFAOYSA-N 376.825 2.353 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 15885452 MGIIWWOZWDJGPJ-UHFFFAOYSA-N 384.310 2.434 50 40 GEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccncc3)CC2)c1 59953201 TWVCNBFFAIJJND-OEAKJJBVSA-N 396.447 2.101 50 40 GEGB Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C\c2c[nH]c3ccccc23)cc1 90541395 RDBKXAYOPXXCDJ-BKUYFWCQSA-N 384.461 2.295 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2ccc(F)cc2)s1 12983708 IIJLYYBINXPTHS-LBPRGKRZSA-N 387.436 2.326 50 40 GEGB Cc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(O)=NC2=S)c1 34236311 AWCVBTDTBUSDCN-PTNGSMBKSA-N 380.429 2.402 50 40 GEGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408610126 MJFZZBQUWQZJII-QVHMZZSFSA-N 399.422 2.150 50 40 GEGB CCN(CC)c1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2)cc1 6509336 SMEHXUNPJWBTGB-UHFFFAOYSA-N 382.464 2.114 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 2134310 BCUJRKKGAPYPQU-UHFFFAOYSA-N 384.392 2.392 50 40 GEGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1cc2c(s1)CCCC2 6602761 CEYYHXBPEOKATP-UHFFFAOYSA-N 392.502 2.252 50 40 GEGB CN1C(=C(C#N)C(=O)Cn2cnc3sccc3c2=O)N(C)c2ccccc21 12539948 DSSFZDVESCUSCE-UHFFFAOYSA-N 377.429 2.348 50 40 GEGB C[C@@H](C(=O)NNC(=O)[C@@H](C)n1cnc2ccccc21)n1cnc2ccccc21 40158863 QQFNYAMVFXOJOR-OKILXGFUSA-N 376.420 2.356 50 40 GEGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 409370219 NCUJMUPJCPWSRG-UHFFFAOYSA-N 393.355 2.305 50 40 GEGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)[C@H](C#N)C(=O)N1 9089175 PYYWIGGYRPBYEC-GUYCJALGSA-N 385.445 2.470 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 20493179 JLIGNFXGUAJLHA-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2)c1 35045981 WXOCOZHDOGJYFA-RIDKEVFESA-N 378.432 2.350 50 40 GEGB biogenic O=C(NCc1ccccc1)NC1(C(=O)NNC(=O)c2cccs2)CCCC1 42861065 OKAOPNUDQLDDEY-UHFFFAOYSA-N 386.477 2.321 50 40 GEGB CCOC(=O)COc1c(Br)cc(/C=N/NC(C)=O)cc1OCC 409015827 BQUYVJVOJQGYMU-CAOOACKPSA-N 387.230 2.260 50 40 GEGB Cc1c(C(=O)N/N=C/c2cccs2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409057672 VYQLEJOYPHXKPA-UFFVCSGVSA-N 381.392 2.377 50 40 GEGB NC(=O)CCn1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21 409354567 HYSKCBATIMDYGA-BHGWPJFGSA-N 381.411 2.218 50 40 GEGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1C 12815672 KWXXOIYISCILJX-UHFFFAOYSA-N 395.462 2.385 50 40 GEGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 409004460 CZKDZHVPMNGQDQ-QMFLXTPQSA-N 381.432 2.011 50 40 GEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cc(OC)ccc2OC)CC(=O)N1 4147585 SPTHJTRCLGFRPB-GFCCVEGCSA-N 376.434 2.339 50 40 GEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(CN2CCCCC2)cc1 14187500 NBUTWHHVFPXIOB-FQEVSTJZSA-N 395.459 2.274 50 40 GEGB CCOc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 20100892 YXXYALRPSGAEBY-VXLYETTFSA-N 389.364 2.237 50 40 GEGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 409117300 XIMHYNFKWUCSLJ-LDADJPATSA-N 390.421 2.145 50 40 GEGB COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccccc2)cc1 408771709 BKFZLWGHGHPRAN-UHFFFAOYSA-N 375.450 2.403 50 40 GEGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccccc1O 4815568 GDAYGUBBWCQJRP-LZYBPNLTSA-N 382.157 2.466 50 40 GEGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495441 DMYLBRVBRNRIBL-CQSZACIVSA-N 391.880 2.271 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1cccn1-c1ccc(Br)cc1 59678743 GTDCNTHDNWMDAN-XDHOZWIPSA-N 391.269 2.022 50 40 GEGB Cc1nn(C)c(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)c1Br 252506021 VWMVQDRTNLBQAG-YAXRCOADSA-N 393.167 2.014 50 40 GEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408773309 JZBJOYMDULHUNZ-VXLYETTFSA-N 395.868 2.270 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccccc1 408987098 VPIXJXNSQSBCFK-ZVHZXABRSA-N 375.432 2.256 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCC(N)=O 681265 XWJVSFDOBURYEB-SSDVNMTOSA-N 381.388 2.460 50 40 GEGB C/C=C/c1ccc(OCC(=O)NNC(=O)COc2ccc(F)cc2)c(OC)c1 6558075 FEWFKQWUZXKQIT-ONEGZZNKSA-N 388.395 2.473 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(F)cc1 8219188 IZPKDHWYCGQRNM-SSDVNMTOSA-N 385.395 2.142 50 40 GEGB CCOc1ccc(C(=O)N[C@H](C(=O)NNc2nc(C)cc(C)n2)C(C)C)cc1 14511729 WCJMPKHXFUQMPY-KRWDZBQOSA-N 385.468 2.390 50 40 GEGB COc1ccc(/C=N\NC(=O)CCN2CCN(c3ccccc3)CC2)cc1OC 33335662 OEGOSRVVPLVPIC-QJOMJCCJSA-N 396.491 2.366 50 40 GEGB O=C(N/N=C/c1cccc(Br)c1)c1c(O)c2c([nH]c1=O)CCCC2 5626218 IRWLITMSFSBETO-DJKKODMXSA-N 390.237 2.486 50 40 GEGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Cl)cc1 9089450 QJRGSBAKRDFJPT-OLZOCXBDSA-N 379.825 2.137 50 40 GEGB CCCCCCC(=O)NN/C=C1/C(=O)NC(=O)N(C2CCCCCC2)C1=O 9108693 FSEIHSPPFHBCKL-SQFISAMPSA-N 378.473 2.263 50 40 GEGB O=C(O)CC/C(=N/NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1 15952515 IAXXNDMIDAIRSJ-GLZSIORYSA-N 379.416 2.201 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954174 QAEBBRPLTRCRAP-YBFXNURJSA-N 395.868 2.265 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1SCc1ccc(F)cc1 58248142 BLBKGDKWZOFUBI-HNNXBMFYSA-N 375.425 2.453 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)c1 58882593 YOIWHESIGRXSAR-UUYOSTAYSA-N 399.447 2.371 50 40 GEGB C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)C(=O)N1CCCC1 100059356 JTDCEWUCRNVRDS-KEBDBYFISA-N 385.251 2.437 50 40 GEGB N#C/C(C(N)=O)=C1\c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 102107982 CMABCAGIIWLJQM-OWBHPGMISA-N 381.260 2.202 50 40 GEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089305 DDSXACUYCIZIGJ-KEBDBYFISA-N 393.359 2.332 50 40 GEGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2sccc2C)sc2c1CCC2 5160457 QXAUNILWBWGIRW-QGMBQPNBSA-N 391.474 2.482 50 40 GEGB CCc1noc(C)c1C(=O)NNC(=O)COc1ccc(Br)cc1 12935137 YKULEDRRYCHHOL-UHFFFAOYSA-N 382.214 2.148 50 40 GEGB CCCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OC 23382573 OGRDFABODBTOOZ-BJMVGYQFSA-N 386.189 2.481 50 40 GEGB CC1CCN(S(=O)(=O)c2ccc(NC(=O)CBr)cc2)CC1 35604951 ORTKIYMRUMVUNG-UHFFFAOYSA-N 375.288 2.441 50 40 GEGB C/C(=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21)c1ccc(F)cc1 408842136 MLLPMQVYCXIINQ-KSEXSDGBSA-N 393.382 2.348 50 40 GEGB O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccccc1F 3337613 ZZHKNRBYBUKGPV-UHFFFAOYSA-N 397.200 2.193 50 40 GEGB CCc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)cc1 38168353 GXXCOMFRAZKKAJ-VBKFSLOCSA-N 378.388 2.491 50 40 GEGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC 409233610 GUGMFLFFPKHTCN-YHYXMXQVSA-N 382.214 2.348 50 40 GEGB COc1cc(CCC(=O)NNC(=O)c2ccccc2F)cc(OC)c1OC 3395683 AKPHESPGGWTGGG-UHFFFAOYSA-N 376.384 2.245 50 40 GEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc(Cl)cc2)=N\NC(=N)N)s1 5809780 FCVGFSZCXYXBBM-XRKTUMLRSA-N 391.888 2.468 50 40 GEGB CC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)c1 59246469 RXRHJSWWFSNFSF-XKZIYDEJSA-N 382.464 2.079 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299401 WKQKSFSQRMXHAF-JYVUULFMSA-N 379.290 2.180 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408906255 BELKOZFARPPCHG-UOBPLZBXSA-N 384.392 2.402 50 40 GEGB COc1ccc(CC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409012002 IJENXPOLEJRHMI-KUARTLJMSA-N 386.404 2.249 50 40 GEGB Cn1cccc1CC(=O)NNC(=O)CCCOc1cccc(Br)c1 3337883 JVMDKRNQWVPTIC-UHFFFAOYSA-N 394.269 2.337 50 40 GEGB O=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 7408942 CGMYLNNFFDJXNO-SCOAYWHSSA-N 394.836 2.101 50 40 GEGB CCOC(=O)c1cccc(N/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 9340574 HJNVFHUCRTUSRY-ATVHPVEESA-N 383.404 2.014 50 40 GEGB COc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 13623724 KHYBXRDBODEVGO-OAQYLSRUSA-N 387.351 2.126 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 19954935 YUSLYMZFOTWELD-UDWIEESQSA-N 393.440 2.141 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408615359 PIWIPEDNFJTTRD-CYBMUJFWSA-N 387.386 2.341 50 40 GEGB CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 2424410 YYWBSNSBLJUQNT-SDNWHVSQSA-N 390.399 2.457 50 40 GEGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6324074 RBFWQADGGWSFEW-CQSZACIVSA-N 387.461 2.071 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccncc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409060985 BBLLVWATXXFUGK-KSEXSDGBSA-N 392.806 2.225 50 40 GEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 409241013 WFHLNZORIDUBAE-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl 716359 AEYPMWZYEXSZSY-OLZOCXBDSA-N 379.825 2.137 50 40 GEGB CC(C)Oc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1 2428210 LCIGOIAKGQKWHM-LJQANCHMSA-N 380.448 2.286 50 40 GEGB Cc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)c1ccccc1 3424342 GJDGXNCCYLHFRU-UHFFFAOYSA-N 381.461 2.437 50 40 GEGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(OC[C@@H]2CCCO2)cc1 36892656 OFZLVTADFYCCTE-INIZCTEOSA-N 384.388 2.048 50 40 GEGB Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1 40143567 LHOGSVZBISBUAW-UHFFFAOYSA-N 376.416 2.494 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 104817625 JRCLPBPIXQHXKP-VBKFSLOCSA-N 382.395 2.372 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1 408973638 MZZAIASVNUFTDK-QQZPLFJDSA-N 381.432 2.170 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)ccc21 7386451 UFBITLROFWUSQF-HYARGMPZSA-N 377.448 2.241 50 40 GEGB O=[N+]([O-])[C@@]12CN(Cc3ccccc3)C[C@@]([N+](=O)[O-])(CC=C1OCCCl)C2 22027981 XLXZSWPVZWFUCK-SJORKVTESA-N 381.816 2.466 50 40 GEGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O 22234046 YNAPXKGJQKOQKY-LBPRGKRZSA-N 389.843 2.252 50 40 GEGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59515614 IMKZENAYBDITBJ-AFUMVMLFSA-N 388.427 2.427 50 40 GEGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 100092852 AEAHLNXPVQILBU-YDZHTSKRSA-N 398.419 2.425 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccc(F)cc1 408972018 OAZXVAVSEUOPSM-DHRITJCHSA-N 393.422 2.395 50 40 GEGB CCOc1cc(NC(C)=O)ccc1C(=O)NN[C@H](C#N)c1ccccc1[N+](=O)[O-] 1094252 NKRVKBLWQGFHST-MRXNPFEDSA-N 397.391 2.451 50 40 GEGB COCC1=C(C(=O)OC)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 4142795 OSXGSMFIVPKRAS-ZDUSSCGKSA-N 379.210 2.330 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1 6843603 WLNAONQGQAIRBJ-CIAFOILYSA-N 383.404 2.351 50 40 GEGB CC1(CC(=O)N/N=C/c2cc3ccc([N+](=O)[O-])cc3nc2Cl)OCCO1 408728618 PWXPEENXHNGLMG-GIJQJNRQSA-N 378.772 2.400 50 40 GEGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(O)cc1 408903921 BFAIRGWHMTXLQD-LZYBPNLTSA-N 382.157 2.466 50 40 GEGB COC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 2134792 AOQVWOAYLXTZCN-UHFFFAOYSA-N 396.035 2.286 50 40 GEGB O=C(COc1ccccc1)NNC(=O)c1cccc(I)c1 5774607 VEQXWHDDYZUFPU-UHFFFAOYSA-N 396.184 2.131 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2ccccc2n1 12765654 MBMVYOBNXMDEOS-UHFFFAOYSA-N 381.335 2.275 50 40 GEGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccc1O 12853412 MFHSNOWJJBPEDF-SNVBAGLBSA-N 379.210 2.383 50 40 GEGB CCCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 27018675 SVOKYOJQLLEXFA-MOKGIYGOSA-N 376.478 2.466 50 40 GEGB Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(F)cc1 29562354 KYPUWTUUWQPSNR-AWEZNQCLSA-N 398.438 2.005 50 40 GEGB C/C(=N\NC(=O)CCN1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1 95532767 PKQPHVUENAOPRJ-PTGBLXJZSA-N 380.492 2.440 50 40 GEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(OC)ccc1OC 408603318 FRTYFSWOIVOQPV-HNNXBMFYSA-N 386.433 2.262 50 40 GEGB COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)/C(=N\NC(=O)c4ccsc4)[C@H]23)cc1 6668862 WLPRYIDFGAYGMT-YOAOBYPUSA-N 399.428 2.017 50 40 GEGB CCOC(=O)N1C[C@@H](Br)[C@H](Br)CN1C(=O)OCC 1721644 AYXQOHJSFDTFJE-HTQZYQBOSA-N 388.056 2.359 50 40 GEGB CCCOc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1OC 3295975 BQZJBEXQIVXLMI-UHFFFAOYSA-N 386.404 2.102 50 40 GEGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1cc(Br)cs1 4721567 BCUCECYVDWNAFC-CQDUBHCWSA-N 392.278 2.491 50 40 GEGB O=C(/C=C/c1c(F)cccc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1 12781720 NKQYZDXDVVRLTB-FDMDGMSGSA-N 376.771 2.480 50 40 GEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 4690627 XMFZOIBGRAXYQX-WSDLNYQXSA-N 390.827 2.379 50 40 GEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 5514086 OUXCSEKHJBKJPQ-KEBDBYFISA-N 389.795 2.224 50 40 GEGB CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 6509420 LJPRPYXGUGMQPO-UHFFFAOYSA-N 397.456 2.097 50 40 GEGB COc1ccc(CNC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 7813103 YMGBOCUPXGMWPA-YDZHTSKRSA-N 377.400 2.321 50 40 GEGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1cccs1 21326492 ROTUNZNCVPHSFY-RISCZKNCSA-N 393.440 2.069 50 40 GEGB O=C(NNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 40140417 YJVKCAYSQYKLQA-JKSUJKDBSA-N 389.795 2.345 50 40 GEGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 408529190 IOBMRLZDTIJRGX-LPYMAVHISA-N 397.435 2.302 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C)o3)[C@H]2C1 803632 WPVQPXRSHYKSNH-DOTOQJQBSA-N 377.404 2.470 50 40 GEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccco1 4698632 CPBVRPSNQGOCKP-FNORWQNLSA-N 393.852 2.356 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCc3c(C)nn(C)c3C)ccc21 10093388 KXYYWGFWYUOEPL-UHFFFAOYSA-N 382.468 2.109 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(=O)[nH]c4ccccc34)ccc21 13778834 DYVAQSYQGIJQCH-UHFFFAOYSA-N 389.415 2.281 50 40 GEGB CCOc1ccccc1/C=N\NC(=O)C(=O)N/N=C\c1ccccc1OCC 31636919 VBRVTBWKICNWBW-JZTLMNBPSA-N 382.420 2.084 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3OC)CC2=O)cc1 68933301 IJXRAHZKSLTMEE-OAHLLOKOSA-N 381.432 2.072 50 40 GEGB COCCCNC(=S)NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 2794321 ZVVPPAVWTGZMDO-UHFFFAOYSA-N 398.488 2.283 50 40 GEGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc(Br)cs1 4721565 BCUCECYVDWNAFC-SKURSVJHSA-N 392.278 2.491 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Cl 20493198 DDAQFSHSYWJLIL-VXLYETTFSA-N 383.832 2.395 50 40 GEGB CCOC(=O)N1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 5488733 JAZYEJZLWKMNCJ-NTCAYCPXSA-N 383.857 2.253 50 40 GEGB CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 12541296 UEOBPPFDDDXWER-CQSZACIVSA-N 391.431 2.085 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1OC 14244420 OOTFLOMSYCNDFN-KZULUSFZSA-N 386.404 2.083 50 40 GEGB COc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1OC 31854612 AYLLNZNSPUSYJP-MYSNOUKZSA-N 380.404 2.125 50 40 GEGB COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1OC 223153323 AWUDQADHWGXGTC-NHDPSOOVSA-N 385.420 2.418 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(C)(=O)=O 20210570 NBXXHOSIZQUKBW-WOJGMQOQSA-N 395.506 2.372 50 40 GEGB CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC1 12697865 LMJCVNFLGMOHBF-UHFFFAOYSA-N 377.510 2.427 50 40 GEGB Cc1nn(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1Br 2431634 YODFNXQRSNCBSV-UBKPWBPPSA-N 379.214 2.141 50 40 GEGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 3300079 WNJARVJNLHGJIS-ZCXUNETKSA-N 392.390 2.013 50 40 GEGB CCCCN(CCCC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 9535335 FQVJFQOEKNJVTC-UHFFFAOYSA-N 398.529 2.194 50 40 GEGB CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 17520320 UPZKQNMZOMXJOJ-UHFFFAOYSA-N 381.841 2.312 50 40 GEGB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 138699863 WUDVNJXBMIPGTO-UHFFFAOYSA-N 397.431 2.108 50 40 GEGB O=C(CCC(=O)Nc1ccccc1)NNS(=O)(=O)c1ccc(Cl)cc1 2132145 LUPUEALKMIFKEZ-UHFFFAOYSA-N 381.841 2.068 50 40 GEGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)ccc1O 2313731 GUBQCNILFHFDHK-RGVLZGJSSA-N 397.460 2.439 50 40 GEGB Cn1c(SCC(=O)NNC(=O)c2cccc(Cl)c2)nnc1C(F)(F)F 3445315 OBNCNMUUDHXFHM-UHFFFAOYSA-N 393.778 2.041 50 40 GEGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)NC1CCCCC1 4545617 AQVYAOVXJACVKI-JXAWBTAJSA-N 397.475 2.280 50 40 GEGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1C[C@@H]1CCCO1 100839384 PBDLWOCYCCQQJA-DAWVFNFOSA-N 395.091 2.087 50 40 GEGB COc1cc(C(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)cc(OC)c1OC 101151958 QIAVTUDVZDWUNH-CPNJWEJPSA-N 379.372 2.486 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 408773259 HROWOJFRFDJSKO-UDWIEESQSA-N 393.440 2.141 50 40 GEGB CC(C)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 17632818 BQNMGMJFECLGBD-UHFFFAOYSA-N 378.436 2.196 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1cc(Br)ccc1O 408724600 ACLBPMZMZGDZTL-OMCISZLKSA-N 396.153 2.238 50 40 GEGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(C)(=O)=O 408922028 OITUAACTHQCDIO-XMHGGMMESA-N 375.450 2.002 50 40 GEGB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCBr)cc1OC 870917 VHWXBEWTDIGVQP-AWEZNQCLSA-N 384.226 2.383 50 40 GEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCCO2 2444610 IRYRDTDNRWTHHN-FOKLQQMPSA-N 392.415 2.128 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2nc3ccccc3o2)c1 7604871 BOGPLDWSLJCBEH-UHFFFAOYSA-N 387.417 2.398 50 40 GEGB COc1ccc(C(=O)NNC(=O)CN(C)Cc2ccc(C)cc2C)cc1OC 14232227 DMNPMBYJGNVTPH-UHFFFAOYSA-N 385.464 2.214 50 40 GEGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccco3)CC2)cc1 5617747 QQNVDJIOJNAIAX-CPNJWEJPSA-N 375.450 2.139 50 40 GEGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 6356940 DRBZYHUGKZBQPT-VXLYETTFSA-N 383.832 2.250 50 40 GEGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@@H]1c1ccc(F)cc1 6495446 UOWWHYRWMPUBAG-HUUCEWRRSA-N 389.452 2.193 50 40 GEGB O=C(NNC(=O)c1oc2ccccc2c1CSc1ncn[nH]1)c1ccccn1 17328576 CBWFWSNAKLFCQK-UHFFFAOYSA-N 394.416 2.313 50 40 GEGB N#Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 2661860 HBFOIHJBEYNSOG-UHFFFAOYSA-N 394.214 2.470 50 40 GEGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OC)c3O)CC2=O)cc1 6962988 PLWFTYIAOXXHLH-OOXYOOLHSA-N 397.431 2.303 50 40 GEGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1OC 409234524 NKTKRAUINLMUKB-HMAPJEAMSA-N 399.447 2.070 50 40 GEGB O=C(CCCC[C@H]1CCSS1)NCCn1c(O)nc2ncccc2c1=O 575610089 ZNAYOWWEJCYFMP-LBPRGKRZSA-N 394.522 2.327 50 40 GEGB CC(C)(C)c1cc(C(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)[nH]n1 4113034 HRWQQEDBTWNVTQ-ULJHMMPZSA-N 378.436 2.492 50 40 GEGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 5837989 BYJHDWXMMVWMTA-IKQLPNFSSA-N 390.443 2.092 50 40 GEGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccncc1 6475603 PHXIPWTVGWCHSW-YBFXNURJSA-N 381.421 2.270 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc([N+](=O)[O-])c1O 409393230 WDNUHACVGSWGKI-GIJQJNRQSA-N 375.337 2.177 50 40 GEGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCC(C)CC2)c1C 5674815 ZOFKLBXDSBMASF-XDHOZWIPSA-N 387.480 2.460 50 40 GEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Br)s1 6509584 AOGNUNAZWMFAIQ-JTQLQIEISA-N 383.223 2.112 50 40 GEGB CN(C)S(=O)(=O)c1cccc(C(=O)NNc2c(F)c(F)cc(F)c2F)c1 7987050 XNOLRERZEYDJMV-UHFFFAOYSA-N 391.346 2.250 50 40 GEGB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 31553251 JRQUFBDMLVPQQZ-OCCSQVGLSA-N 377.510 2.330 50 40 GEGB COc1ccccc1OCC(=O)NNC(=O)COc1cccc2ccccc12 2131901 DRBDCGDRFJDGAN-UHFFFAOYSA-N 380.400 2.454 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 4132519 XYDYYAYQAJSTKG-NYIWCXCSSA-N 377.364 2.064 50 40 GEGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccs1)c1ccco1 8184564 HIBSZHYQGPMGDD-AWEZNQCLSA-N 383.429 2.143 50 40 GEGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 15900516 RCPLVDGIWFSILQ-UHFFFAOYSA-N 376.478 2.068 50 40 GEGB COC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1OC 59437050 GJGRXEHAFYYCKG-RGVLZGJSSA-N 388.376 2.378 50 40 GEGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 59459773 ZRHJEPFDMYQGOX-YBFXNURJSA-N 386.364 2.091 50 40 GEGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 409343948 FYTOBCPSMMJBFA-LSHDLFTRSA-N 378.388 2.009 50 40 GEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)C)=C1C 4517040 GSETVCKZBFQUDV-NRFANRHFSA-N 379.416 2.264 50 40 GEGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1 5164243 JBCVYOSTYNCPLN-QCBCRBAMSA-N 381.432 2.203 50 40 GEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(C#N)c1 7383540 AOYUSLZZACNWEE-CQSZACIVSA-N 395.440 2.488 50 40 GEGB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NNC(=O)c1cccs1 7975183 CUTKPLWJRBQEHC-UHFFFAOYSA-N 388.232 2.255 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(C[S@@](C)=O)c1 16482912 XDLJMCYEIRBJJY-VWLOTQADSA-N 380.853 2.302 50 40 GEGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)cc1 59498828 VNCVOHRGVDYRNN-YBFXNURJSA-N 388.497 2.282 50 40 GEGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 3116203 LQMZYAJVLYYWLS-AWQFTUOYSA-N 390.783 2.137 50 40 GEGB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NNC(=O)c1ccncc1 6627304 RQSJGENXXYIHIR-UHFFFAOYSA-N 399.259 2.346 50 40 GEGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428729 ARHHOZZULLXIBV-UHFFFAOYSA-N 376.434 2.336 50 40 GEGB O=C(NCCSc1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O 10275621 UNDOYGVRYQLICA-UHFFFAOYSA-N 397.460 2.314 50 40 GEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2O)cc1OC 14134713 CXPUFSXYXJYLJI-AWQFTUOYSA-N 392.795 2.370 50 40 GEGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 14197257 PLYFCVAHOMLQRQ-UHFFFAOYSA-N 376.434 2.205 50 40 GEGB Cc1nn(C)c(Cl)c1S(=O)(=O)NNC(=O)Nc1ccc(Cl)cc1 2577738 AJWPEHSXWHANGL-UHFFFAOYSA-N 378.241 2.050 50 40 GEGB Cc1nnc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)nc1O 22701309 AKRKALHDDTYNAR-UHFFFAOYSA-N 378.751 2.398 50 40 GEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 1444664 ADNVFXMOXTZMDX-VXLYETTFSA-N 389.364 2.150 50 40 GEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OC)ccc2[nH]c1=O 4131458 IQSXSNGMRLEMSP-SFHVURJKSA-N 393.399 2.348 50 40 GEGB C/C(CC(N)=O)=N\NC(=O)COc1ccc2ccccc2c1Br 4523728 MKWQQVRCFKCJOZ-VXLYETTFSA-N 378.226 2.349 50 40 GEGB Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccc2c(c1)OCO2 7957599 HEMFREBTCVDSJK-UHFFFAOYSA-N 386.452 2.278 50 40 GEGB Cc1c(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccccc2)oc2ccccc12 14161564 SCDWJKIOCOMHKL-HNNXBMFYSA-N 380.404 2.302 50 40 GEGB C[C@@H](NC(=O)NNC(=O)CN1CCCCCC1=O)C12CC3CC(CC(C3)C1)C2 40071313 XPVDQPLQVMIOKB-LFPRZYRFSA-N 390.528 2.324 50 40 GEGB CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408689967 SUXNRWHFHXDPFP-OJVARPOJSA-N 378.222 2.399 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 1894999 SHWNLCAFLZLETC-UHFFFAOYSA-N 389.477 2.340 50 40 GEGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(Br)o1 2807142 ZDQYKEGBNXNOJG-UHFFFAOYSA-N 377.150 2.223 50 40 GEGB CCn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccccc1 5430176 ZTYRSRZTYWAATQ-UHFFFAOYSA-N 395.488 2.442 50 40 GEGB O=C(NNC(=O)c1cc(F)ccc1Br)c1ccc2c(c1)OCO2 8141432 VZHXFFKRYAATSB-UHFFFAOYSA-N 381.157 2.392 50 40 GEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30577354 HRJVGEMBQLIQLM-CQSZACIVSA-N 389.839 2.175 50 40 GEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 52411060 KWRKORCMXFHGFB-LBPRGKRZSA-N 375.787 2.293 50 40 GEGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 59433283 ILAGVBSMHVCTNS-VCHYOVAHSA-N 388.336 2.213 50 40 GEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)N1CCCCCC1 59459713 JELASEXZSDZUMJ-GIJQJNRQSA-N 396.241 2.031 50 40 GEGB C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1ccc(Br)cc1 101158411 JOXKGGFKGZCPNA-YRIIZNAFSA-N 382.258 2.240 50 40 GEGB O=C(N/N=C/c1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408858903 QTZSOVDNFNVRAD-LZNAANCOSA-N 381.841 2.236 50 40 GEGB CO[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 4906950 CLIIQYNUZNCYIB-ORTNRGLGSA-N 398.419 2.269 50 40 GEGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(Oc2ccccc2)cc1 7818549 GSKLPIFTFLOSME-CQSZACIVSA-N 388.445 2.065 50 40 GEGB COc1cccc(CC(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)c1 8984391 XTPODOWMZHAJHJ-LBPRGKRZSA-N 384.461 2.495 50 40 GEGB CN1/C(=C(/C#N)C(=O)COC(=O)CN2CCSC2=O)Sc2ccccc21 14082998 HJIKIBKUILLEIT-LFIBNONCSA-N 389.458 2.245 50 40 GEGB COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)OC(=O)[C@H]21 100913635 AALQLXOJVZHYOM-IAGYGMIVSA-N 399.830 2.455 50 40 GEGB CC1(C)[C@]2(C(=O)NNC(=O)[C@@]34CC[C@](C)([C@H](O)C3)C4(C)C)CC[C@]1(C)[C@H](O)C2 102777753 KTHKFBXSXFSTAX-NYHJFAANSA-N 392.540 2.288 50 40 GEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 103123071 OTIUKTRATOYPPM-ATVHPVEESA-N 395.415 2.097 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccccc2)c(C)c1 2135284 JJSCBORKRKWOAV-UHFFFAOYSA-N 375.450 2.032 50 40 GEGB CC1=CC(=O)[C@@H](Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 4167635 MDZPVUVVDJNNRT-AUHJOAGFSA-N 377.205 2.468 50 40 GEGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccs1 6508656 MLJLKNKCUALVNF-UHFFFAOYSA-N 396.266 2.092 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c1 8810986 UHGDRKGAPVDTPC-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(CNC(C)=O)cc1 25415404 UDZSBRRHTBBRDW-UHFFFAOYSA-N 375.812 2.060 50 40 GEGB COCC1=C(C(=O)OC)[C@H](c2ccccc2Br)C(C#N)=C(N)O1 4474170 ATQGRPRLKJZKDA-CYBMUJFWSA-N 379.210 2.330 50 40 GEGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1 5070637 ANZBABVNQUYPSQ-KGENOOAVSA-N 383.477 2.315 50 40 GEGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 6510316 OQWQEUDDPWJKPS-MRXNPFEDSA-N 379.372 2.251 50 40 GEGB C#CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 8336674 FLZJVEROPBKESD-RGVLZGJSSA-N 384.461 2.356 50 40 GEGB COc1ccc(CNC(=S)NNC(=O)c2cccnc2)cc1Br 27579329 MJMLGRDUMYUXMH-UHFFFAOYSA-N 395.282 2.162 50 40 GEGB O=C(NN/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O)c1ccccc1 32939970 SUTYWPKSSYAEEW-BENRWUELSA-N 384.392 2.232 50 40 GEGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc2c(c1)OCO2 3246787 VMRPSTBZUCJUKY-PXLXIMEGSA-N 380.448 2.078 50 40 GEGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2)c1ccc(OC2CCCC2)cc1 4638736 YXCBAYFFEZSVOO-DACLVMHWSA-N 384.432 2.292 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC 7785474 FLQFDSHYASFUBK-SRZZPIQSSA-N 375.812 2.124 50 40 GEGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCCCC2)cc1 856968 QCRIFAZRSLDALD-UHFFFAOYSA-N 394.497 2.092 50 40 GEGB CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 32118747 SBKRVHNRKPKKPX-UHFFFAOYSA-N 394.434 2.004 50 40 GEGB COc1ccc([N+](=O)[O-])cc1N/C=C(\C#N)C(=O)NC(=O)Cc1ccccc1 100296430 JIIUNIDFIALYQY-WYMLVPIESA-N 380.360 2.308 50 40 GEGB COc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1Br 408721133 LCIIHLIGLWDTCV-IZZDOVSWSA-N 388.225 2.165 50 40 GEGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1O 5725253 HOZSBOUYKDRLQM-XDHOZWIPSA-N 395.868 2.352 50 40 GEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cncc(Br)c2)c1 17202984 WZQRGAHNRSPJER-UHFFFAOYSA-N 378.226 2.301 50 40 GEGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1 20060364 CKFAESPQGSMDMA-YBFXNURJSA-N 395.868 2.265 50 40 GEGB COc1ccnc(NNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)n1 40153980 YOZMYENAIFAMMZ-OAHLLOKOSA-N 383.452 2.098 50 40 GEGB COc1ccc(NC(=S)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 42083103 TXVHOIIVQIFXJH-UHFFFAOYSA-N 376.394 2.000 50 40 GEGB O=C(CCCCl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6787006 OCGYPISRMCHMLV-UHFFFAOYSA-N 381.281 2.318 50 40 GEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\C=C\c1ccccc1 13811337 XIMUPUZPZXTEPU-JFUVEBOBSA-N 382.441 2.022 50 40 GEGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C)cc1 19851745 PNYYUPULBWYXSS-OEAKJJBVSA-N 397.475 2.365 50 40 GEGB O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccs1 32118606 IDFGGRCIXATYIB-UHFFFAOYSA-N 384.826 2.259 50 40 GEGB C[C@@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 408921131 DWXQSZPZXUEJFQ-AUQXIXNCSA-N 388.493 2.057 50 40 GEGB CN(C)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 3400071 SHFYJZHJYYBWFR-UHFFFAOYSA-N 375.812 2.024 50 40 GEGB CCc1c(C)nc(SC/C(=N/NC(C)=O)c2cccc([N+](=O)[O-])c2)[nH]c1=O 8965004 BHMRHMRGXFOUTP-QNGOZBTKSA-N 389.437 2.181 50 40 GEGB CCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 2357738 INNHSMUURGHUMY-GOSISDBHSA-N 397.431 2.421 50 40 GEGB COc1cc(C(=O)NNC(=O)CCOc2ccccc2C)cc(OC)c1OC 3322330 HIKPHSMJUBZCPP-UHFFFAOYSA-N 388.420 2.251 50 40 GEGB CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 14044581 ROYIEQMIMVBGFS-CYBMUJFWSA-N 394.431 2.277 50 40 GEGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C(=O)OC)cc1 408608970 XYPFNLUEVAOTOU-HNNXBMFYSA-N 398.444 2.421 50 40 GEGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 12765056 QVKUBVAJNCAMEE-UHFFFAOYSA-N 381.385 2.017 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 2176035 NURSDILVALCHLW-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O 2203990 LOPAJRAIPRZUMO-DTQAZKPQSA-N 379.464 2.426 50 40 GEGB CCCCNC(=S)NNC(=O)c1ccc(NNC(=S)NCCCC)cc1 16185826 KMVCAHBZRDVTAJ-UHFFFAOYSA-N 396.586 2.187 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc(F)c1 409115322 LXASQRKMCIPXLU-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1ccccc1C(=O)NNC(=O)c1ccc(I)cc1 831986 XGIQCDYGKIJEBX-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 4726218 UKKXWFMSUWDITN-UHFFFAOYSA-N 392.444 2.368 50 40 GEGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Cl)c1O 6958744 JRILKMWYAFNREL-WSDLNYQXSA-N 389.839 2.253 50 40 GEGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)c1 13345658 RYEARRBNRMRWNS-UHFFFAOYSA-N 389.216 2.315 50 40 GEGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1Cl 33392874 KBEZIRQSXHLEOB-MOSHPQCFSA-N 393.896 2.294 50 40 GEGB O=C(O)[C@]12C[C@H](I)[C@H]3C[C@@]1(Cc1ccccc12)C(=O)O3 104094317 JLEHQLHDDIKONB-IDTSFGKNSA-N 384.169 2.074 50 40 GEGB O=C(COC(=O)c1cc2c(s1)CCCC2)NNC(=O)c1ccc(F)cc1 7785200 YXCDVUKRNSNHFW-UHFFFAOYSA-N 376.409 2.384 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 12849142 POICALIBJJSDCP-YVEFUNNKSA-N 390.823 2.403 50 40 GEGB CSCCC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 28671607 TUABBRTYLBLDIG-UHFFFAOYSA-N 388.371 2.111 50 40 GEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccccc1 2134199 DQAKJQDKPLMDBZ-UHFFFAOYSA-N 375.812 2.285 50 40 GEGB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NNC(=O)c1ccccc1O 10125774 NFFNQWQADILTKR-UHFFFAOYSA-N 396.428 2.105 50 40 GEGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 15877196 PTMLEHVYJBFUEW-LBPRGKRZSA-N 385.445 2.268 50 40 GEGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(OC)c3)CC2=O)cc1 408614833 IQUFZPBBNTUIAH-MRXNPFEDSA-N 381.432 2.072 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408906832 ISXNUHDXORZMSI-NFECSFHCSA-N 375.450 2.000 50 40 GEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1cc(Br)ccc12 1073671 IKZWLIXYRBJIKB-KRWDZBQOSA-N 386.205 2.370 50 40 GEGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4ccccn4)c(=O)c23)C1 4482822 YWJZOVOASJBHEQ-AWOXZHSLSA-N 381.461 2.128 50 40 GEGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNc2nc(C)cc(C)n2)ccc1C 11333660 HUNKEPGGVWRNEN-UHFFFAOYSA-N 391.497 2.189 50 40 GEGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 33879697 JBJSPBQOYNIFLP-ZDLGFXPLSA-N 388.336 2.213 50 40 GEGB CCOc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 39986599 ZNMATOSIMOREQH-MOSHPQCFSA-N 389.477 2.165 50 40 GEGB CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)([C@H](O)C3)C4(C)C)CC[C@]1(C)[C@H](O)C2 102777757 KTHKFBXSXFSTAX-VBTYURRXSA-N 392.540 2.288 50 40 GEGB COc1cc(C(=O)N/N=C\c2cccn2C)ccc1I 409086261 GORGKZXRDICGTE-SXGWCWSVSA-N 383.189 2.402 50 40 GEGB COc1ccc(CCNC(=O)[C@@H](OC(=O)CCl)c2ccccn2)cc1OC 4927800 VZQMUINCXMGSAS-SFHVURJKSA-N 392.839 2.281 50 40 GEGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 5205589 LXTMYPCKOJRMEX-PXLXIMEGSA-N 386.496 2.014 50 40 GEGB CCOC(=O)c1cc(CC)sc1NC(=O)CNNC(=O)c1ccccc1F 6542442 QPSUGQVFONCBGN-UHFFFAOYSA-N 393.440 2.499 50 40 GEGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 408870239 SIYUGTQALSOBHZ-PXLXIMEGSA-N 394.456 2.427 50 40 GEGB N#Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(F)c1 5898683 BESWMQXKUDGZEU-WSDLNYQXSA-N 397.366 2.206 50 40 GEGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cc(-c2ccccc2)[nH]n1 7948646 BLTIZFNBQYIKDY-UHFFFAOYSA-N 376.416 2.405 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)c2ccc(-n3cncn3)cc2)ccc1Cl 12751739 LEPVWQVBNZYPSY-UHFFFAOYSA-N 385.811 2.069 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 793908 KTXZDWWDYJHPOO-GIJQJNRQSA-N 385.771 2.052 50 40 GEGB COc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 1421499 XOKAAMDJEAIXNW-HXJASHHUSA-N 382.376 2.107 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)CSc3nc4ccccc4o3)ccc21 2726752 DTLWUDDGQBLXDB-KEBDBYFISA-N 395.444 2.261 50 40 GEGB CCCn1nc(C(=O)N/N=C/c2ccc(C(=O)OC)cc2)c2ccccc2c1=O 6787776 NTSUTRSXLAVHIN-LPYMAVHISA-N 392.415 2.357 50 40 GEGB COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 68933361 WQPSLVRUVGBODZ-LBPRGKRZSA-N 387.823 2.163 50 40 GEGB N#CCCCN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 4893866 JSOYJWWHBCUXMQ-RELWKKBWSA-N 376.372 2.200 50 40 GEGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 14116039 WGUOCVQVDKTYAN-MRXNPFEDSA-N 385.395 2.095 50 40 GEGB O=C(Cn1cnc2ccccc2c1=O)N/N=C\c1ccc(Br)cc1 31854495 XLOGGVNHYDPESS-UKWGHVSLSA-N 385.221 2.309 50 40 GEGB O=C(NNC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1)c1ccccc1 41154400 BFNYAFXXKZJIQR-UHFFFAOYSA-N 392.415 2.253 50 40 GEGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OC)c3OC)CC2=O)cc1 409157659 WCIGQFWTGGNDPB-QZDMBBGESA-N 397.431 2.216 50 40 GEGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4798189 QGTIVEDFNCAORU-MFKUBSTISA-N 388.427 2.427 50 40 GEGB CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 8042719 PWOWLMFJVOAWFY-VXLYETTFSA-N 383.832 2.250 50 40 GEGB CC1=CC(SCC(=O)NN)=C2N(Cc3ccc(Cl)cc3Cl)N=CN2N1 59597087 SSFVIXCHZBFTCQ-UHFFFAOYSA-N 399.307 2.369 50 40 GEGB Br[C@@H]1C[C@H]2C[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 169426937 OSPRNWJVZBLALK-LMLFDSFASA-N 398.091 2.430 50 40 GEGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408906281 FIRLAQLTTHYQEE-NPQOUYBPSA-N 389.477 2.390 50 40 GEGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1 3289142 BWIYVVNUKXDRSR-OAHLLOKOSA-N 396.321 2.072 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)ccc1O 4698922 DJFRIALYLRQYJY-GIJQJNRQSA-N 392.209 2.252 50 40 GEGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C)cc2)c2ccccc21 5205511 AICXNDBLPDFGBK-HNENSFHCSA-N 388.427 2.183 50 40 GEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(O)cc1O 1098744 KGESTPAMZXLATR-CNHKJKLMSA-N 393.193 2.282 50 40 GEGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1COc2ccccc2O1 2356834 LNDFSCNHORCGQP-RIEVCORGSA-N 377.194 2.445 50 40 GEGB O=C(NN/C=C1\C(=O)N(CCC2=CCCCC2)C(=S)N=C1O)c1ccncc1 2396704 KOTKRZAUZSHBAE-QINSGFPZSA-N 399.476 2.174 50 40 GEGB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](NNC(=O)c2ccccc2)C1=O 2656234 STLMWWWFSXUZDF-CQSZACIVSA-N 387.823 2.224 50 40 GEGB CCc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 13817282 VQADVFJBHMUORB-SSDVNMTOSA-N 389.419 2.381 50 40 GEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1OC 20065635 USKHWAZOEXAWOO-GOSISDBHSA-N 399.472 2.339 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1C 14244251 HQWQVICYFNPROQ-INIZCTEOSA-N 385.395 2.095 50 40 GEGB CC/C(=N\NC(=O)Cc1cccn1C)c1ccc(OCCN2CCOCC2)cc1 20551528 RKTVGBRUEYRLPG-XTQSDGFTSA-N 398.507 2.209 50 40 GEGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575422997 NHCPXQWMONBNPX-CVEARBPZSA-N 391.942 2.417 50 40 GEGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc4ccccc34)C2=O)cc1 2348944 SGAIOXDUPXTXHR-LJQANCHMSA-N 389.411 2.415 50 40 GEGB COc1cc2c(cc1OC)[C@H]1[C@@H](C)/C(=N\NC(N)=O)C3=C(CCCC3=O)N1CC2 4023261 SSWXYDNWTFYCBC-CQXDRIKVSA-N 398.463 2.284 50 40 GEGB biogenic C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(OCC(N)=O)cc1 5621140 JVNQXGMWTPZGBB-GIJQJNRQSA-N 380.198 2.060 50 40 GEGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 12936725 KLIZTWFPDOZTOP-GOSISDBHSA-N 395.459 2.134 50 40 GEGB COc1ccc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc1OC 13108437 OEGOSRVVPLVPIC-HAVVHWLPSA-N 396.491 2.366 50 40 GEGB CCN1c2ccccc2C2=C([C@H](c3cccnc3)C(C#N)=C(N)O2)S1(=O)=O 20558403 VCOVZDUAYRKMOS-MRXNPFEDSA-N 380.429 2.428 50 40 GEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(O)c3)s2)c1 59498632 IWFALRQLCSLZKE-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB C=CCn1c(S[C@H](C)C(=O)NN)nnc1-c1ccc(Br)cc1 66324374 KQFDRDIUYIEOIK-SECBINFHSA-N 382.287 2.364 50 40 GEGB CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(O)cc2O)cc1 100071219 XOLBMSYJXFKAAS-SSDVNMTOSA-N 384.392 2.191 50 40 GEGB Cc1nn(C)c(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)c1Br 2794780 WHLSRHMIKAAWIE-VIFPVBQESA-N 396.314 2.361 50 40 GEGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@H]1COc2ccccc2C1 8734025 NZLOPZOKRUOYPB-TZMCWYRMSA-N 396.472 2.495 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 408906667 CZKCHVGQSKUCHY-UOBPLZBXSA-N 384.392 2.402 50 40 GEGB CCCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccccn1 1362642 HEZZVTIDHWABGE-UHFFFAOYSA-N 396.476 2.303 50 40 GEGB Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1C 5006180 LXXNCRMSYOJPDZ-UHFFFAOYSA-N 382.376 2.371 50 40 GEGB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br)c1cccs1 9591949 CQPJBPJMOHKODA-LGHQWOBVSA-N 385.235 2.045 50 40 GEGB O=C(NNC(=S)NC(=O)c1ccc(Br)cc1)c1ccc(O)cc1 78547094 RAXUFZVRCFHOTM-UHFFFAOYSA-N 394.250 2.104 50 40 GEGB CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408689888 SUXNRWHFHXDPFP-JNWWKETESA-N 378.222 2.399 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 672551 DFFZIKXXKVEGAV-UHFFFAOYSA-N 394.181 2.441 50 40 GEGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19418414 OBARCKFXUOBSLL-HZHRSRAPSA-N 378.432 2.185 50 40 GEGB Cc1c(C(=O)NNC(=O)C2CCN(C(=O)NC3CC3)CC2)oc2ccccc12 32913640 OKAVBWITUXVDLA-UHFFFAOYSA-N 384.436 2.086 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1F 408773099 GGJFRFGHLIDWJJ-VXLYETTFSA-N 383.832 2.395 50 40 GEGB C=CCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OC 3255645 PGAUZVDWOXWQHF-BJMVGYQFSA-N 384.173 2.257 50 40 GEGB CCc1ccc(C(=O)CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 5268448 HEDHBOVPSNXDLS-UHFFFAOYSA-N 392.459 2.489 50 40 GEGB CN(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 6356943 KXAPAZXOOVOEPW-VXLYETTFSA-N 383.832 2.250 50 40 GEGB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)c1cccs1 6788129 RWDZUKQZKMSGDE-AWEZNQCLSA-N 391.518 2.369 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)COc2cccc(N3CCCC3=O)c2)cc1 12767912 CFYLSYNTGVYPFR-UHFFFAOYSA-N 397.431 2.052 50 40 GEGB Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c2ccccc21 30600287 JMMACRPXTZLBGS-AWEZNQCLSA-N 394.431 2.085 50 40 GEGB COc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1OC 31854614 AYLLNZNSPUSYJP-BTXKWLAHSA-N 380.404 2.125 50 40 GEGB CCOC(=O)NNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 32857798 KGQIGCFPTFOPLC-SNVBAGLBSA-N 377.344 2.286 50 40 GEGB COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2CCC(C)CC2)c1C 39964443 ZOFKLBXDSBMASF-UNOMPAQXSA-N 387.480 2.460 50 40 GEGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccc2F)cc1OC 59516059 DUWJUFYODBJBEL-YDZHTSKRSA-N 387.411 2.042 50 40 GEGB CCN1C(=O)/C(=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 100192321 BXZBEROGCJDTHR-FXBPSFAMSA-N 383.404 2.213 50 40 GEGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)c1 4664366 MCHQKFAMRWPLGM-SFQUDFHCSA-N 381.479 2.063 50 40 GEGB CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 4775505 KUJLDGZYPTWHQS-JOCHJYFZSA-N 390.443 2.213 50 40 GEGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1csc(-c2ccccc2)n1 12944191 CVEVQIPFOIMMFE-UHFFFAOYSA-N 391.412 2.121 50 40 GEGB COc1cccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2cccc(OC)c2)c1 31670049 PYHROCOMCDIQPA-VMTNTFKOSA-N 396.447 2.475 50 40 GEGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1OCC 409313475 CBYROFYCKMQZCZ-QRVIBDJDSA-N 397.431 2.278 50 40 GEGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1 4898982 VHOFBTQVXLQYOJ-ZMNVVMRHSA-N 377.740 2.244 50 40 GEGB CCCN(CCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O 5784928 KKPMREIERHDVFX-KRWDZBQOSA-N 391.472 2.033 50 40 GEGB COc1ccc(C(=O)NN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 10737537 GNDSQTBWYKUTAX-UHFFFAOYSA-N 389.477 2.261 50 40 GEGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)[C@H]1COc2ccccc2O1 13584167 NWNXQISVSQTREZ-UTYYKHSJSA-N 378.388 2.176 50 40 GEGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc(N)cc2)cc1OC 100484576 ODWYBWDKGXAXGL-ZVHZXABRSA-N 398.463 2.141 50 40 GEGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Cn1cc([N+](=O)[O-])cn1 668909 HQCALEZGEKELGU-DNTJNYDQSA-N 380.364 2.007 50 40 GEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 3612931 OQMXJWXROPYAFV-UHFFFAOYSA-N 381.498 2.058 50 40 GEGB O=C(CSc1nc(Cc2ccccc2)n[nH]1)NNC(=O)NCc1ccccc1 4129503 HFTAGNYCGKGJOU-UHFFFAOYSA-N 396.476 2.018 50 40 GEGB CC/C(NNC(=O)c1ccccc1)=C1\C(=O)N=C(O)N(C2CCCCC2)C1=O 9012454 FLEXKPIDOCLQIA-NXVVXOECSA-N 384.436 2.201 50 40 GEGB CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 20059891 FFQNIMMWYRSREY-UHFFFAOYSA-N 390.421 2.302 50 40 GEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 101303174 PGXUHOMQFORHLZ-LWPKIGSASA-N 393.317 2.176 50 40 GEGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)cc1 408536329 QXKFIDLAGNUSJN-LKKXKRCMSA-N 398.806 2.263 50 40 GEGB N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 2309424 UYEMRMFELWJUKM-QGZVFWFLSA-N 383.429 2.063 50 40 GEGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc(Br)c1 3081059 RDGCEALXORBJSU-AWQFTUOYSA-N 378.201 2.468 50 40 GEGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc([N+](=O)[O-])c1O 409068065 FNOLSNRJPQFYFQ-LZYBPNLTSA-N 376.350 2.451 50 40 GEGB CCOc1ccc([C@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1302361 FKXPWVPIALHDDX-XLIONFOSSA-N 389.459 2.497 50 40 GEGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)Cc3ccc(F)cc3)C2=O)cc1Cl 3330673 KQTMHEVSPPTKNJ-INIZCTEOSA-N 389.814 2.283 50 40 GEGB CC(C)NC(=S)NNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 14841432 LJBCRCOWFIBMCM-FYMRZPMTSA-N 394.585 2.247 50 40 GEGB CC(C)n1nc(C(=O)NNC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2c1=O 28580835 DHXIMBSNTMJYPI-MRXNPFEDSA-N 397.262 2.322 50 40 GEGB CS(=O)(=O)Nc1cccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1 30952882 RGBKVFAOOJDYJS-KRWDZBQOSA-N 385.401 2.005 50 40 GEGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 100924782 KTODBKQBDSOEST-FYJGNVAPSA-N 384.392 2.416 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317436 IOOPUFUCQOWKSF-JYVUULFMSA-N 379.290 2.180 50 40 GEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/CC(=O)c3ccccc32)c1 103453756 ARPSDXVIONOQHJ-UZYVYHOESA-N 399.472 2.438 50 40 GEGB COc1cccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C#N)c1 100372532 SLYWUZZJNLRNGZ-ZMOGYAJESA-N 393.403 2.026 50 40 GEGB NNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408533850 QZGUWVXNKFLLJE-UHFFFAOYSA-N 390.248 2.163 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409127089 GWSMYCSEARIBSN-YBFXNURJSA-N 395.481 2.464 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c1 8811016 FLDFVRZKOIQLDR-VXLYETTFSA-N 389.364 2.393 50 40 GEGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)c1ccccc1I 18033775 CGRJAYGNEDACHD-HWYHXSKPSA-N 384.217 2.488 50 40 GEGB Cc1ccc(C(=O)NCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 27619940 BKCUBDONOSEZEE-UHFFFAOYSA-N 397.475 2.383 50 40 GEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC 57509138 LPNVYUPRQYXYHQ-HNNXBMFYSA-N 384.816 2.122 50 40 GEGB Cc1ccc(-c2noc(SCC(=O)NNC(=O)COc3ccccc3)n2)cc1 7604898 VUJBDQKCLPASQI-UHFFFAOYSA-N 398.444 2.364 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(C)(=O)=O 408768952 MVVGBCAEUGCOFE-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCC(=O)O 408785762 BROGLNHGHPJAAI-WCIBSUBMSA-N 397.225 2.353 50 40 GEGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 408996922 KMXZHCAGODKCAG-SRZZPIQSSA-N 384.392 2.190 50 40 GEGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccc(F)cc1 408969827 VFBHCWNRXGMQFD-BRJLIKDPSA-N 393.422 2.395 50 40 GEGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1OC 2056431 QUMQVURMSQJEFI-WSDLNYQXSA-N 389.839 2.166 50 40 GEGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C)=C\c1ccccc1 5071968 KCMQWLXEWVTSRH-QPFYDBMPSA-N 380.412 2.175 50 40 GEGB COc1cc(C)ccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6653511 AIBYGQKGNOHNGS-UHFFFAOYSA-N 380.404 2.234 50 40 GEGB O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 15904493 CNQYMPZSJJHJKZ-QGZVFWFLSA-N 377.400 2.082 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 32755165 YQOKGRDDZJZILT-AWEZNQCLSA-N 387.461 2.070 50 40 GEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O 2449118 BBCWJMSEUIXLNG-FYWRMAATSA-N 390.399 2.156 50 40 GEGB CC/C(NNC(=O)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9331289 XBVMBZDFFMYORT-WUKNDPDISA-N 392.415 2.177 50 40 GEGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 40049172 GEJBTQOFRIHLJP-XPQLPGEHSA-N 388.431 2.282 50 40 GEGB Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1ccco1)C(C#N)=C(N)O2 2358575 HRGIFYXDBDLDOM-KRWDZBQOSA-N 377.404 2.255 50 40 GEGB CCCCc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 8783367 JJUYMMIMJJCFLA-GOSISDBHSA-N 380.364 2.283 50 40 GEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c1 408774426 WTXVARZTBGAXIF-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)C(=O)N1CCOCC1 409008124 UFOOIRYAYURMTE-XNTDXEJSSA-N 396.355 2.109 50 40 GEGB COc1ccc(OCC(=O)NNc2nnc(Cc3ccc(C)cc3)c(O)n2)cc1 22853755 GMMBIORTJYYCET-UHFFFAOYSA-N 395.419 2.007 50 40 GEGB COc1ccc(C(=O)N/N=C/c2ccc(I)o2)c(O)c1 409391825 LRSSWYUCZZFYEW-VIZOYTHASA-N 386.145 2.362 50 40 GEGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 2135504 GWDIGPDYYXVEDK-UHFFFAOYSA-N 378.797 2.198 50 40 GEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 5697881 HZNXVAJIJSQMOZ-WYEAJDFLSA-N 394.855 2.310 50 40 GEGB O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccncc1 12898965 PUWYDOQEAOZNHU-UHFFFAOYSA-N 391.309 2.067 50 40 GEGB O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 40140414 YJVKCAYSQYKLQA-CVEARBPZSA-N 389.795 2.345 50 40 GEGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)NC(N)=O 409248297 PIHSPUPACKAAEE-JYRVWZFOSA-N 398.806 2.459 50 40 GEGB O=C(N/N=C/c1ccc(I)o1)[C@@H]1COc2ccccc2O1 1092631 OAPWKVRPPFXPFI-QFULYMJESA-N 398.156 2.174 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\CCSc2ccc(F)cc21 21742875 ACOKDJKZKGNYLR-HMMYKYKNSA-N 382.424 2.496 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 107636025 AIDNZCZWFJIQRO-UZQMFHLOSA-N 380.404 2.458 50 40 GEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 6396404 RWTGFTFJRKLRHH-HUUCEWRRSA-N 375.425 2.077 50 40 GEGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccccc1O 719520 AXZAORNPYTWRRN-ZVBGSRNCSA-N 382.445 2.193 50 40 GEGB N#CC(C(=O)COC(=O)c1ccc2c(c1)OCCO2)=C1Nc2ccccc2N1 2631354 FLVWREQQAYPGJL-UHFFFAOYSA-N 377.356 2.456 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1OCC 2651558 FHBGUFBUJUTMPK-UHFFFAOYSA-N 376.384 2.463 50 40 GEGB Cn1nccc1/C=N/NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4652172 HGVGPUDESDMUIL-KEBDBYFISA-N 397.439 2.214 50 40 GEGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccc(F)cc2)CC1=O 6402541 RFIABNITTDVREZ-CQSZACIVSA-N 385.395 2.039 50 40 GEGB CCn1ncc(Br)c1/C(C)=N\NC(=O)CCn1cc(Cl)cn1 6490036 BXWOIDTWNWPZRD-NVMNQCDNSA-N 387.669 2.446 50 40 GEGB C[C@H]1CCc2sc(C(=O)NNC(=O)CCCNC(=O)c3ccco3)cc2C1 12742218 WMWVAVVEDICHCV-LBPRGKRZSA-N 389.477 2.437 50 40 GEGB O=C(NNC(=O)C1CCCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 13016865 XDMZTGFYKCRQDO-UHFFFAOYSA-N 376.434 2.205 50 40 GEGB CC1(C)[C@@H](Br)C(=O)C(Br)C(=O)[C@@H]1Br 100014220 UWWRZBDXGUUGIN-BQBZGAKWSA-N 376.870 2.455 50 40 GEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 408907004 FXGALLHVJXDFOQ-SVZNOHIVSA-N 383.404 2.223 50 40 GEGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 409007549 PBBUWBQIXRUADJ-KGENOOAVSA-N 381.436 2.419 50 40 GEGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cnc2s1 1784399 FPRHDWUJJDFPIZ-UFWORHAWSA-N 385.405 2.079 50 40 GEGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 8778853 OTIUKTRATOYPPM-SFQUDFHCSA-N 395.415 2.097 50 40 GEGB Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 9367191 GIIZFBNFVBVHCZ-LBPRGKRZSA-N 377.408 2.224 50 40 GEGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408609195 JQQDQFPBRWPYPD-UFFVCSGVSA-N 375.812 2.124 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(OC)cc3)CC2=O)cc1 16508665 JQMPLOBLBJABCJ-INIZCTEOSA-N 381.432 2.072 50 40 GEGB CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1cccc(Br)c1 20060499 BOEVJUDBKVCQCV-UHFFFAOYSA-N 388.287 2.261 50 40 GEGB CCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Cl)cc3)C2=O)c1 100971238 TXUAAXNSSAFDHA-MRXNPFEDSA-N 387.823 2.305 50 40 GEGB CN(C)C(=O)CCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284081 PYIBYATYQPIIFV-UHFFFAOYSA-N 383.448 2.138 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 3072749 WDXAQQXIZKXBAD-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3204939 UTZHBQWPQWWTTH-LPYMAVHISA-N 397.435 2.321 50 40 GEGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 4674725 LDSDFRJEFKTRCA-BUVRLJJBSA-N 396.491 2.350 50 40 GEGB C[N+](C)(C)CC(=O)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1ccccc1O 5832281 WBSJTVLPYRKLAX-IBGZPJMESA-O 382.440 2.221 50 40 GEGB C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1 8241280 LUZCIXHYHVKNFA-FJNZGUHISA-N 376.478 2.381 50 40 GEGB COCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 102821049 WNJARVJNLHGJIS-ISLYRVAYSA-N 392.390 2.013 50 40 GEGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 2493393 KRZLYHXYVCHOJV-QGZVFWFLSA-N 384.388 2.148 50 40 GEGB Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 5740923 XJCFTYVTHHAAJH-REZTVBANSA-N 379.170 2.409 50 40 GEGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)c(OC)c1 20210827 JGOVKJJAGLEOKQ-UHFFFAOYSA-N 397.497 2.296 50 40 GEGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)NC1CCCCC1 100571756 MGKHHOULJJLFMA-YDZHTSKRSA-N 392.887 2.287 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408780591 FTPMBCFBZUFCSH-UDWIEESQSA-N 393.440 2.141 50 40 GEGB Cc1c(C(=O)N/N=C\c2ccccc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409057386 PCJCJILBJVDIGD-FMCGGJTJSA-N 375.363 2.316 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)o3)[C@@H]2C1 803628 WPVQPXRSHYKSNH-WBVHZDCISA-N 377.404 2.470 50 40 GEGB C=CC(=O)N[C@H](C(=O)OCC)[C@@H](OC(=O)CCBr)c1ccccc1 4719003 YDOGTQXEDWPXAI-HOTGVXAUSA-N 398.253 2.290 50 40 GEGB O=C(NC1CCN(C(=O)NNC(=O)c2cccs2)CC1)c1ccc(F)cc1 26146643 JWTSIBNIZOBMJV-UHFFFAOYSA-N 390.440 2.136 50 40 GEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1c[nH]c2ccccc12 30600061 VKSHMFITUWRTKH-ZDUSSCGKSA-N 380.404 2.074 50 40 GEGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(C)cc1 33489753 PNYYUPULBWYXSS-UCQKPKSFSA-N 397.475 2.365 50 40 GEGB O=C(CCCC[C@@H]1CCSS1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 79491867 SCFJBOGBFPWPLA-HUUCEWRRSA-N 392.612 2.032 50 40 GEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 100522626 PXUCBGXNCPNFHM-FYJGNVAPSA-N 384.392 2.416 50 40 GEGB O=C(N[C@@H](O)CSS(=O)(=O)O)OCC1c2ccccc2-c2ccccc21 224545156 WCMLKCFZJRWCHE-INIZCTEOSA-N 395.458 2.380 50 40 GEGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCc2ccccc2)cc1 4416574 SYPNIPDTBOJHKF-BUVRLJJBSA-N 380.448 2.386 50 40 GEGB CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)CC(C)C 7386689 FQVVLHJBGNNLSC-UHFFFAOYSA-N 379.276 2.203 50 40 GEGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 34107901 JDTPVBLTUMHBLX-JXAWBTAJSA-N 377.353 2.045 50 40 GEGB C[C@@H]1CN(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cn2)C[C@@H](C)O1 47526098 NPZHYOWNJBJZTI-CHWSQXEVSA-N 388.855 2.423 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cc(Br)ccc1F 100162752 WKMUYMJBQZCJOV-CYBMUJFWSA-N 393.168 2.252 50 40 GEGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1C 408970713 CJJMPCQJFZWQNL-KCDOPAPYSA-N 382.464 2.148 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 2134301 VQKPHMRPDDSMSO-UHFFFAOYSA-N 384.392 2.392 50 40 GEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 6396406 RWTGFTFJRKLRHH-GJZGRUSLSA-N 375.425 2.077 50 40 GEGB Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 12698195 NNVADYNMHGHXPP-UHFFFAOYSA-N 379.507 2.400 50 40 GEGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1 13563649 VHOFBTQVXLQYOJ-YCTMVFBPSA-N 377.740 2.244 50 40 GEGB O=C(NCc1cccnc1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914461 PDHBRPHHEIROBT-UUYOSTAYSA-N 393.359 2.016 50 40 GEGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 59459754 HNGBXXAGAIWTAT-KEBDBYFISA-N 390.783 2.023 50 40 GEGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)N1CCOCC1 408821249 FIAOAVSEXNVXKE-XFXZXTDPSA-N 380.242 2.408 50 40 GEGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1 409261800 BLNYXHSYAKLVIK-UKWGHVSLSA-N 390.237 2.386 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 5567953 IMKMKPXGHCFDAO-WDEREUQCSA-N 389.235 2.411 50 40 GEGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(Br)cc1 5945326 CUJIEBLQQLNUTD-UHFFFAOYSA-N 384.280 2.460 50 40 GEGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(OC[C@H]2CCCO2)cc1 53625508 CXPPIYBOYWTMKG-QGZVFWFLSA-N 398.415 2.090 50 40 GEGB O=C1O[C@@H]2C[C@@]13Cc1ccccc1[C@]3(C(=O)O)C[C@@H]2I 104094325 JLEHQLHDDIKONB-JLUCKKNBSA-N 384.169 2.074 50 40 GEGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(F)cc1 408679992 FSWKQEIMGMOHSF-SLQSZJTJSA-N 397.196 2.123 50 40 GEGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(O)cc1 408853487 UMZBGXVRRLTDEO-VCHYOVAHSA-N 394.225 2.348 50 40 GEGB COc1ccc(CCNC(=O)[C@H](OC(=O)CCl)c2ccccn2)cc1OC 4927781 VZQMUINCXMGSAS-GOSISDBHSA-N 392.839 2.281 50 40 GEGB CCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cccs1)C(C)C 6508655 OJNPTDNBLOZWBL-INIZCTEOSA-N 389.477 2.362 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1 19953692 ILFTXEPQVDZNOB-NPQOUYBPSA-N 389.477 2.390 50 40 GEGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(O)c3)[C@H]2C1 803699 YHOIIWHLEKDMFC-ROUUACIJSA-N 389.415 2.274 50 40 GEGB Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccncc1)=NS2(=O)=O 1638040 CPJRIBKNVNGRPN-UHFFFAOYSA-N 382.854 2.128 50 40 GEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)s1 7385230 ZJIIQWNPGCGAMN-QMMMGPOBSA-N 378.834 2.318 50 40 GEGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 7428712 NGZXYYVSZYFIQU-UHFFFAOYSA-N 389.216 2.345 50 40 GEGB CC(=O)Nc1cccc(C(=O)N/N=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 33525871 ZBCPQNHPIADIEF-UMUMUWHJSA-N 377.404 2.400 50 40 GEGB Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H](C)c1nc2ccccc2[nH]1 9367192 GIIZFBNFVBVHCZ-GFCCVEGCSA-N 377.408 2.224 50 40 GEGB CC(C)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Br 408600309 BKDBXIMJWBYPMK-VXLYETTFSA-N 398.301 2.266 50 40 GEGB O=C(N/N=C/c1cc(I)ccc1O)[C@@H](O)c1ccccc1 3153017 FPZIDHCWEWGUQS-VEJKBTLKSA-N 396.184 2.181 50 40 GEGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccccc1Br 4698946 FCDPIVWKAUUIEG-GIJQJNRQSA-N 390.193 2.236 50 40 GEGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccccc1Br 7653001 UOWSXGHQVFQEKQ-UHFFFAOYSA-N 390.237 2.030 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)c1 8811024 SJPWQPYRDLFRSQ-FSJBWODESA-N 394.431 2.298 50 40 GEGB O=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C/C(Br)=C\c1ccccc1 95952894 GDAHHENAKRCWLY-AUNKAHLHSA-N 385.283 2.349 50 40 GEGB COc1cc(C=C(C#N)C#N)cc(I)c1OCC(=O)O 408829570 LGYPSMQAXMWHLR-UHFFFAOYSA-N 384.129 2.194 50 40 GEGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccnc1 408970884 ABHJQBDVBDGKCA-ZMPUUUETSA-N 382.464 2.450 50 40 GEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 408977528 WLMPSTXKUAGXRM-DJKKODMXSA-N 387.348 2.034 50 40 GEGB C[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1O)NC(=O)c1ccccc1 11838097 ALOVMVFJCHUKFG-LLVKDONJSA-N 375.812 2.015 50 40 GEGB C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1 12878387 VJBKCENSJXGDAS-JTQLQIEISA-N 391.767 2.255 50 40 GEGB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1c(F)c(F)cc(F)c1F 102401372 SSEKFUVTRYEFIO-RKDXNWHRSA-N 387.333 2.251 50 40 GEGB CCOc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1O 408972505 CZFQAHNCXPERQS-QQZPLFJDSA-N 381.432 2.257 50 40 GEGB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)c1ccc2c(c1)OCO2 7957576 DOFYWMLTQFDIHR-KRWDZBQOSA-N 393.399 2.141 50 40 GEGB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccco2)c1 14251686 ZCPLDESULDJGFJ-UHFFFAOYSA-N 399.428 2.180 50 40 GEGB CC1(C)[C@]2(C(=O)NNC(=O)[C@@]34CC[C@@](C)([C@H](O)C3)C4(C)C)CC[C@]1(C)[C@H](O)C2 102777760 KTHKFBXSXFSTAX-YZNLYLAQSA-N 392.540 2.288 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 59516300 WCRVLVITGZVRIF-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB C/C(CC(=O)NCc1nc(-c2ccc(C)cc2)no1)=N/NC(=O)c1ccco1 101760665 CWROAVWPNIYQSH-XKZIYDEJSA-N 381.392 2.450 50 40 GEGB COc1ccc(-n2nc(C(=O)N/N=C/c3cccs3)c(C)c(C#N)c2=O)cc1 409059934 SOLASVINNYUVJD-SRZZPIQSSA-N 393.428 2.247 50 40 GEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 408747390 NEMZHUVAEHRMRI-YVLHZVERSA-N 380.400 2.470 50 40 GEGB COc1ccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2ccc(OC)cc2)cc1 31670100 FCLFZMTZAVGGJN-VMTNTFKOSA-N 396.447 2.475 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc2ccccc2n1 40060232 NPIGGWCSMWDJPP-OAHLLOKOSA-N 392.415 2.141 50 40 GEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(F)cc1 1951269 APLPDYPNTXIEEW-AWQFTUOYSA-N 378.201 2.468 50 40 GEGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1739800 XXCFCRXAOFBHTA-UBKPWBPPSA-N 376.716 2.237 50 40 GEGB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NNC(=O)c1ccco1 8354797 YEJFNGSCGJHLHQ-UHFFFAOYSA-N 397.460 2.350 50 40 GEGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c(OC)c1 36079817 ALVHMWPKMFUPJT-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB Cn1cccc1/C=N/NC(=O)CCCCCCC(=O)N/N=C/c1cccn1C 8306356 YUZDNSMGSQGUJC-YHARCJFQSA-N 384.484 2.305 50 40 GEGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccccn1 59302819 HHDFYYPXUJCTHU-VCHYOVAHSA-N 379.214 2.038 50 40 GEGB CCn1nc(C(=O)N/N=C/c2ccc(OC)cc2OC)c2ccccc2c1=O 6507610 ZAENEQSJVHVMGK-CIAFOILYSA-N 380.404 2.198 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3cccs3)C2=O)cc1 2728530 XFUYYHFLODWKSF-MRXNPFEDSA-N 387.461 2.032 50 40 GEGB COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)c2ccc(O)cc2O)c1 100927730 JPCOBUNXIUYNEV-SRZZPIQSSA-N 387.392 2.250 50 40 GEGB O=C(CCCCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O 58985430 JLZRXDKIRXEOIZ-JZTLMNBPSA-N 382.420 2.259 50 40 GEGB CCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20027246 MCKFYODITUQQNK-XLIONFOSSA-N 389.459 2.449 50 40 GEGB CCC[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 12794920 ZXCDADAOEWRNCZ-HNNXBMFYSA-N 378.432 2.278 50 40 GEGB COc1cc(C(=O)NCC(=O)N/N=C(\C)Cc2ccccc2)cc(OC)c1OC 4859644 JDIGQTOXUYCBLB-OEAKJJBVSA-N 399.447 2.177 50 40 GEGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc2sc3ccccc3c2s1 16786298 PUUCLJJPPGHHFN-SECBINFHSA-N 394.499 2.312 50 40 GEGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CC1(C)OCCO1 408918952 RCHMNCQVVIUPLQ-WOJGMQOQSA-N 381.226 2.064 50 40 GEGB COc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c1O 1092049 SRUITKJTNUMAQZ-RGVLZGJSSA-N 395.375 2.318 50 40 GEGB CC(=O)Nc1cccc(C(=O)N/N=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 6655065 ZBCPQNHPIADIEF-UZQMFHLOSA-N 377.404 2.400 50 40 GEGB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)NNC(=O)c1cccc(Cl)c1 8130578 OPQZOQSVWDFMAG-SNVBAGLBSA-N 394.888 2.383 50 40 GEGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1 13897722 AENIVAVTMXJRDP-YJBOKZPZSA-N 379.370 2.237 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc(F)c1 409119465 PSXMBQBGOMJCKI-VXLYETTFSA-N 383.832 2.395 50 40 GEGB COc1cccc(CC(=O)N/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)c1 409245692 XPCDTHFQIUJSFU-MUBJSKCLSA-N 386.404 2.249 50 40 GEGB CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(Cl)ccc2O)CC1 10627737 CLQGBJKSLVMVEM-UHFFFAOYSA-N 381.860 2.091 50 40 GEGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)C1 2200028 JPYCYKNBLMKYCX-MRXNPFEDSA-N 391.431 2.213 50 40 GEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccccc2Cl)c1O 6169981 TVJYBNUGFCQZET-QGMBQPNBSA-N 379.756 2.492 50 40 GEGB O=C(CC1CCCC1)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 8166843 UJJDRPUZBUEISM-UHFFFAOYSA-N 387.461 2.076 50 40 GEGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c1 409095603 DCRBGGYEXRVGLP-JCMHNJIXSA-N 382.464 2.118 50 40 GEGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C3SCCS3)cc2)n1 8292125 JLGAIYVDAGBVEB-UHFFFAOYSA-N 376.507 2.440 50 40 GEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c1 46193003 ABCJRKJQDPFXFJ-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc(C)c1Cl 102202405 IOBFGALSNJVENI-RKLWJJNISA-N 392.839 2.006 50 40 GEGB Nc1ccccc1C(=O)NN=C1CCC(=NNC(=O)c2ccccc2N)CC1 1058037 GTAYXEFGNFFPMQ-UHFFFAOYSA-N 378.436 2.297 50 40 GEGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 3061924 PHTYESKEYJXIQW-MFKUBSTISA-N 388.427 2.427 50 40 GEGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 4721533 IIPQIGLECFYSTQ-YTEXETPUSA-N 378.388 2.240 50 40 GEGB C[C@@H](Br)C(=O)OC[C@@H](CCl)OC(=O)[C@@H](C)Br 4727147 XKWSDRMROLAMCQ-FSDSQADBSA-N 380.460 2.247 50 40 GEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)c1C 12908042 FGCKFMHRUDRORS-CQSZACIVSA-N 379.416 2.373 50 40 GEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 16158324 NNYHKEOJBVGCGK-ZSOIEALJSA-N 387.351 2.052 50 40 GEGB Cc1ccc(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 102626251 MJBJYWBCPDXASC-GBDRXRSFSA-N 393.233 2.292 50 40 GEGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)Nc3ccccc3)C(=O)NC2=S)cc1 408763824 PCNKTOPDKVVBGG-BBJIBYMTSA-N 395.444 2.166 50 40 GEGB O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)c1cccc(O)c1 408857943 QLHWKFCWKHSMCZ-ZDLGFXPLSA-N 394.225 2.348 50 40 GEGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c(C)c1 408912852 RRPWZRQHHBCPCY-YDZHTSKRSA-N 383.448 2.341 50 40 GEGB CC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 409000494 YKKXHJCJZXDXGA-UHFFFAOYSA-N 376.210 2.482 50 40 GEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(O)cc2)c(C)c(C#N)c1=O 409061854 JDVHUJOXJQCUEN-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB Cc1ccccc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1750033 KORCBVQVDNRANK-QGZVFWFLSA-N 379.416 2.077 50 40 GEGB CCOc1ccc(NC(=O)C(=O)NCN(C(=O)CCl)c2ccccc2)cc1 4904034 KWDXGNHPQCRQFU-UHFFFAOYSA-N 389.839 2.370 50 40 GEGB O=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)NC1CCCCC1 23136103 OJGUEEBQCZRAJJ-UHFFFAOYSA-N 386.427 2.312 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 408778133 BNRVSMKZTMWCIT-YBFXNURJSA-N 395.868 2.265 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C)c1 6779951 ASDLHMFHTFFBIH-CABCVRRESA-N 389.452 2.061 50 40 GEGB COc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 831990 IZMOPWQINUQFHN-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2630611 MIFXGWPHEBFSNC-UHFFFAOYSA-N 379.756 2.340 50 40 GEGB COc1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)cc1OCc1ccccc1 5800152 USCHAEJYYLHSFJ-CIAFOILYSA-N 380.404 2.396 50 40 GEGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2C)sc2c1CCC2 2411239 ZFDJDXGTRRKDOD-KEBDBYFISA-N 385.445 2.421 50 40 GEGB O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 7428739 ONQMFXWCEVWEJX-UHFFFAOYSA-N 389.216 2.345 50 40 GEGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3C#N)cc2C1 12807624 NMDAAYKFYGXNEM-LLVKDONJSA-N 375.475 2.368 50 40 GEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(C[S@](C)=O)c1 16482914 XDLJMCYEIRBJJY-RUZDIDTESA-N 380.853 2.302 50 40 GEGB CCCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 27018669 SVOKYOJQLLEXFA-NWNNTGRJSA-N 376.478 2.466 50 40 GEGB Cc1cc(N2C[C@H](C(=O)NNC(=O)CC(C)C)CC2=O)ccc1Br 40069156 WFDFVECACJRMFB-GFCCVEGCSA-N 396.285 2.304 50 40 GEGB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)cc1 4857898 BJZDVYXOSMBDAW-SFQUDFHCSA-N 392.415 2.211 50 40 GEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccn1 5163520 UUKGCDGIVCCELJ-RCCKNPSSSA-N 386.477 2.410 50 40 GEGB Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(C)c21 5490849 VOKXBVYTQNVOQU-INIZCTEOSA-N 386.209 2.114 50 40 GEGB Cn1nc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 6455061 FXIPNZWRFUYPJZ-UHFFFAOYSA-N 378.432 2.306 50 40 GEGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21 19882707 OJCJANOCYIAJLK-QOCHGBHMSA-N 380.448 2.475 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(F)cc1 20211948 MEALCFDOZJUTKE-UDWIEESQSA-N 381.404 2.271 50 40 GEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1C 408614604 FEMMTYWKFYBVJQ-HNNXBMFYSA-N 396.403 2.026 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(C)(=O)=O 408776137 MJDZLZUIUNVVFY-DEDYPNTBSA-N 389.477 2.310 50 40 GEGB COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1OC 3474720 LNPKAESQVGMBPV-XDHOZWIPSA-N 375.450 2.366 50 40 GEGB C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 40161056 WPLXQOJBIGTEIQ-ZDUSSCGKSA-N 392.419 2.048 50 40 GEGB Cc1sc2nc(SCC(=O)NNC(=O)c3cccs3)[nH]c(=O)c2c1C 4629459 OZWMMBMYCXZGSX-UHFFFAOYSA-N 394.503 2.216 50 40 GEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Br)s1 6509583 AOGNUNAZWMFAIQ-SNVBAGLBSA-N 383.223 2.112 50 40 GEGB COc1cc(Br)c(OC)c(C(=O)NNC(=O)Cc2ccccc2)c1 12741767 HUENRVZCPGXOQG-UHFFFAOYSA-N 393.237 2.470 50 40 GEGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br 28630496 PEEIYUZKQNNSQR-OCKHKDLRSA-N 376.210 2.077 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2c(O)c3ccccc3n(C)c2=O)ccc1O 100224046 BPNBNFNWGFWCMN-SRZZPIQSSA-N 381.388 2.112 50 40 GEGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(N)=O)cc1OC 409008311 VQVVGQWLEHZTRG-ZROIWOOFSA-N 381.388 2.114 50 40 GEGB O=C(CSc1nnc(-c2cccnc2)o1)NNC(=O)c1ccc(Cl)cc1 877845 SIGOMQNIBRCTJP-UHFFFAOYSA-N 389.824 2.338 50 40 GEGB CCOC(=O)Cn1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 5444370 MLCXFEZYTWOEQW-GOSISDBHSA-N 377.404 2.454 50 40 GEGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 408782682 YHCCMDVMXCBVDF-XSFVSMFZSA-N 377.441 2.441 50 40 GEGB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCCl 10104417 VLHCEFIZVMFYKG-RMKNXTFCSA-N 397.866 2.410 50 40 GEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)c(C)c1 58912202 OLDHCSWIOFEIPP-OGBFJMLUSA-N 396.491 2.456 50 40 GEGB O=C(COc1ccc(F)cc1)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 96708826 QFXDLVVECVJAKA-HKWRFOASSA-N 380.372 2.042 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc(OC)c1OC 409006563 PCLKQKIVCHKZRL-UDWIEESQSA-N 377.441 2.002 50 40 GEGB Br[C@H]1C[C@@H]2[C@@H](C[C@H](Br)C23OCCO3)C12OCCO2 4473228 KTSSPGNMSGIYQK-IMSYWVGJSA-N 384.064 2.039 50 40 GEGB COc1cccc(OC)c1C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 5030124 UDHSETAEDDOPHR-KGLIPLIRSA-N 399.472 2.143 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc(Br)c1 5604605 XQTVRJYPHLENNJ-VCHYOVAHSA-N 385.225 2.253 50 40 GEGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 17080108 HMBQYKYKGOREOC-RGEXLXHISA-N 392.415 2.161 50 40 GEGB COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(O)=NC2=S)c1 34236194 GMTIDIYITPTZLZ-PTNGSMBKSA-N 396.428 2.102 50 40 GEGB COc1cc(C(NC(=O)CCl)NC(=O)CCl)ccc1OCC(C)C 2696681 IZMSAYFTAWTOJM-UHFFFAOYSA-N 377.268 2.439 50 40 GEGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(CCO)CC1 19682932 RLAUPSVJXPGJIN-PPADIJRASA-N 389.883 2.304 50 40 GEGB O=C(CCCC[C@@H]1CCSS1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 79491873 SCFJBOGBFPWPLA-LSDHHAIUSA-N 392.612 2.032 50 40 GEGB COc1c(/C=N/NC(=O)/C=C2\Nc3ccccc3NC2=O)cccc1[N+](=O)[O-] 100926662 XLUAFUOYGGXDQI-BUBCDMBBSA-N 381.348 2.002 50 40 GEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC)cc1 4499504 KHCLWTUTNDUGLW-FYJGNVAPSA-N 383.404 2.351 50 40 GEGB O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 12502046 HDASXNOUSSSVDH-UHFFFAOYSA-N 378.797 2.198 50 40 GEGB COc1cc(/C=N\NC(=O)Cc2cccn2C)cc(Br)c1OC 28632476 NMDXESNVFLWURA-ZDLGFXPLSA-N 380.242 2.498 50 40 GEGB CC1(C)[C@H](Br)C(=O)C(Br)C(=O)[C@@H]1Br 100014216 UWWRZBDXGUUGIN-ZXSRUJKISA-N 376.870 2.455 50 40 GEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2)S(C)(=O)=O)cc1 4543735 ANRKIAQRNOVOFP-AUQXIXNCSA-N 389.477 2.390 50 40 GEGB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1c(F)c(F)cc(F)c1F 13147865 SSEKFUVTRYEFIO-IUCAKERBSA-N 387.333 2.251 50 40 GEGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CNC(=O)C(C)(C)C 21769168 DMZRKIAHEYXCFM-UHFFFAOYSA-N 383.876 2.117 50 40 GEGB O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccncc1 35314164 KBJQMMZDGJDQJD-UHFFFAOYSA-N 381.461 2.369 50 40 GEGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 4526139 ACIQTIHZZIQERP-DJKKODMXSA-N 387.348 2.034 50 40 GEGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 5006514 YCTUNCKZBGDPHN-RPXHZFJKSA-N 385.464 2.040 50 40 GEGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(F)cc2)CC1=O 6402543 RFIABNITTDVREZ-AWEZNQCLSA-N 385.395 2.039 50 40 GEGB CN(C)c1ccc(C(=NNC(=O)/C=C\C(=O)O)c2ccc(N(C)C)cc2)cc1 33376905 QHFBQCFFNVCRAG-YPKPFQOOSA-N 380.448 2.328 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408612404 YIOQAEQCDDPRCZ-WSDLNYQXSA-N 389.839 2.132 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 58914013 MROYCCWJVOWELG-QRVIBDJDSA-N 384.480 2.314 50 40 GEGB Cn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2sc3ccccc3c2Cl)n1 888129 HUEBWUGCIKNOIN-UHFFFAOYSA-N 379.785 2.271 50 40 GEGB COC(=O)c1c/c(=N\NC(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc2o1 1630735 KNBWLAJELSZZCK-XQNSMLJCSA-N 393.399 2.489 50 40 GEGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)nc2)cc1 3566321 NUKBOLRGLFECJI-UHFFFAOYSA-N 382.873 2.205 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 4132515 SHRKTOUHNDPYLK-SPJXWURQSA-N 377.364 2.064 50 40 GEGB COc1cc(OC)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(OC)c1 8336639 ODWHCDKXPMQFBL-DJKKODMXSA-N 390.465 2.362 50 40 GEGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@H]1COc2ccccc2C1 8734024 NZLOPZOKRUOYPB-GXTWGEPZSA-N 396.472 2.495 50 40 GEGB CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1cccnc1)C(C#N)=C(N)O3 15083454 STDSSQSYSCDWFI-LLVKDONJSA-N 376.401 2.116 50 40 GEGB COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408615598 RCPVISGVWCUYFM-CYBMUJFWSA-N 387.823 2.163 50 40 GEGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Cl)ccc2O)c1C#N 1959119 QDHRNZXPDKYYTJ-ODCIPOBUSA-N 388.811 2.296 50 40 GEGB CCCCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100841904 RKFABTAMHDTJEP-QTTZHIOCSA-N 379.416 2.494 50 40 GEGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1 408592466 YICFJPOACLUZEK-LPYMAVHISA-N 399.447 2.484 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccs1)S(C)(=O)=O 20212239 XLCRTVYGQYONRL-QGOAFFKASA-N 395.506 2.372 50 40 GEGB Cc1cc(C)nc(NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)n1 22235802 VILCJVMTUWDOGS-UHFFFAOYSA-N 386.433 2.417 50 40 GEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NS(=O)(=O)C2CCOCC2)c1C 96298130 TVQVPZFDKFIXMU-LFIBNONCSA-N 379.482 2.047 50 40 GEGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(=O)N1CCCC1 100059367 YDRNAKZWZGUISL-KEBDBYFISA-N 385.251 2.437 50 40 GEGB CC1(C)[C@H](Br)C(=O)[C@@H](Br)C(=O)[C@@H]1Br 256340198 UWWRZBDXGUUGIN-KCBBSHASSA-N 376.870 2.455 50 40 GEGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)c1 408775024 ZVOZHZUGOZVJLB-LDADJPATSA-N 385.486 2.008 50 40 GEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccncc3)s2)c1 825502 BJRLQHSNGKTJOG-RGVLZGJSSA-N 380.433 2.187 50 40 GEGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 4079650 UJLXPJAMYVFNLK-SRZZPIQSSA-N 384.392 2.182 50 40 GEGB O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2ccc(F)cc2)s1 12983710 IIJLYYBINXPTHS-GFCCVEGCSA-N 387.436 2.326 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc(OC)c1O 17079893 RHHBPTXDLNZMFH-INIZCTEOSA-N 391.383 2.469 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1O[C@H](C)CN(C)C 18200760 QXFHPRCMWJDKKH-ADLMAVQZSA-N 383.452 2.274 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1Cl 59516259 QMBTVDNZXDBBDU-UFWORHAWSA-N 375.768 2.166 50 40 GEGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 408808302 FOZUCEZFRIFNSN-MLPAPPSSSA-N 398.331 2.441 50 40 GEGB CO[C@@H](C(=O)NNC(=O)COc1ccc(Br)cc1)c1ccccc1 5915220 AUFDNUSEPIXFAN-MRXNPFEDSA-N 393.237 2.363 50 40 GEGB CCOc1ccccc1/C=N\NC(=O)CN(C1CCCCC1)S(C)(=O)=O 33784542 YKFCLTIBZGWNGT-UYRXBGFRSA-N 381.498 2.130 50 40 GEGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408924637 KZNPMMHEFHXPJP-AUQXIXNCSA-N 389.477 2.390 50 40 GEGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1C 408970712 CJJMPCQJFZWQNL-BYWZACNXSA-N 382.464 2.148 50 40 GEGB O=NN(CCCCCCN(N=O)C(=O)NCCCl)C(=O)NCCCl 5113132 FCZPBHDYDCXSRG-UHFFFAOYSA-N 385.252 2.410 50 40 GEGB O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cc2c(s1)CCC2 17445863 SXIMPEWMVUJUER-UHFFFAOYSA-N 377.853 2.081 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1cc2c(s1)CCC2 30599253 VXPOSLODHWNJOA-CYBMUJFWSA-N 387.461 2.143 50 40 GEGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 408789340 OYTSJIRNQFWKKN-VCHYOVAHSA-N 378.432 2.208 50 40 GEGB COCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc21 4484760 KUNPKJGVWBACHP-UHFFFAOYSA-N 384.461 2.236 50 40 GEGB COc1ccc(C(=O)NN[C@@H]2C3=C(CCCC3)C(=O)N2C[C@@H]2CCCO2)cc1 4600171 HGVQVILWIYQBIQ-LPHOPBHVSA-N 385.464 2.148 50 40 GEGB Cc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 8042765 KBLUMVJOSGNGLY-YBFXNURJSA-N 379.869 2.419 50 40 GEGB CC(C)C[C@@H](C(=O)NNC(=O)c1cccs1)N1C(=O)c2ccccc2C1=O 8936962 XBDUPBWXYYNRBY-AWEZNQCLSA-N 385.445 2.220 50 40 GEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1C 408614605 FEMMTYWKFYBVJQ-OAHLLOKOSA-N 396.403 2.026 50 40 GEGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cccnc1 408852699 MPMCLNRGFFBIED-VCHYOVAHSA-N 379.214 2.038 50 40 GEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)c1O 6169982 GUTJWELFLNCMCE-RGVLZGJSSA-N 395.375 2.318 50 40 GEGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCN1CCOCC1 24302646 BPDOQEVIGIOSMC-DTQAZKPQSA-N 396.403 2.210 50 40 GEGB O=C(NC(=S)NNC(=O)c1cccs1)c1cccc(Br)c1 32118713 FYDAVNRTAQNCBZ-UHFFFAOYSA-N 384.280 2.460 50 40 GEGB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(N)=O 2417643 FDLZXTYHOBDVJB-JLHYYAGUSA-N 376.372 2.196 50 40 GEGB COc1cc(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)ccc1OC(C)=O 2738943 OEIGURRLJGMSHU-ZICWZVMQSA-N 381.392 2.077 50 40 GEGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 6477688 MUUICGCUWYXHQR-JKSUJKDBSA-N 385.489 2.362 50 40 GEGB O=C(Cn1nnc2ccccc21)NNC(=O)c1ccc(C#Cc2ccccc2)cc1 11680994 PYMQTCPAXNNPQY-UHFFFAOYSA-N 395.422 2.292 50 40 GEGB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1ccoc1C 14323315 IVIWCEGVCOIZKQ-INIZCTEOSA-N 390.415 2.156 50 40 GEGB O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 32124902 FLNUVJOWUXKCNX-YVLHZVERSA-N 390.377 2.351 50 40 GEGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 47080860 UJDVMVWBVNBEGH-LBPRGKRZSA-N 387.823 2.163 50 40 GEGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3C)C2=O)cc1C 408533702 OVKMUELQWIKKBH-GZTJUZNOSA-N 392.415 2.013 50 40 GEGB COc1cc(Br)c(O)c(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 408592049 XGDHYSSLNDZBLQ-QANDDYDISA-N 379.210 2.347 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1Br 675142 CAJMHYNTBJZMPP-WDEREUQCSA-N 399.241 2.110 50 40 GEGB Br[C@H]1C[C@@H]2C[C@@H](C[C@@H](Br)C23OCCO3)C12OCCO2 2570381 OSPRNWJVZBLALK-XWLWVQCSSA-N 398.091 2.430 50 40 GEGB O=C1CC[C@H](C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)N1 7718340 USLIBBMAAUUSKJ-CQSZACIVSA-N 380.429 2.003 50 40 GEGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(Br)o1 12547958 APRUGFUNIOGWBI-UHFFFAOYSA-N 393.172 2.442 50 40 GEGB CC(=O)Nc1ccc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 22621420 MDHOFKZCJSAMEH-UHFFFAOYSA-N 388.405 2.107 50 40 GEGB CC[C@@H](C)N1C(=O)/C(=C\NNC(=O)c2ccccc2Cl)C(O)=NC1=S 38169644 GORVOMJQIFFZAX-LZUGORFDSA-N 380.857 2.340 50 40 GEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 58911692 SPKCEGMGWHIHOR-WSDLNYQXSA-N 390.871 2.350 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 3329751 WVSPLQBWRQXGBR-UHFFFAOYSA-N 379.756 2.340 50 40 GEGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 5690190 FQTRJRUPEGAPED-DAFNUICNSA-N 392.459 2.011 50 40 GEGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCNC2=O)c(C)n1CCC(C)C 5875348 XGXJPGDXYYGDBV-LICLKQGHSA-N 386.452 2.153 50 40 GEGB COc1cc([C@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 27329710 XIFVIPBOUXUQRM-PXNSSMCTSA-N 389.459 2.495 50 40 GEGB CN(CC(=O)N/N=C\c1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 39986750 JHFPDESZLYWYDE-BKUYFWCQSA-N 382.445 2.006 50 40 GEGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccncc1 59679237 ONVQXQOSNVWAHX-VCHYOVAHSA-N 379.214 2.038 50 40 GEGB CCn1nc(C)c(C(=O)OC)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253398741 HJYVMGYICGJORS-HNNXBMFYSA-N 384.436 2.449 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 5526506 SEIBTOLUHUIDKJ-WSDLNYQXSA-N 389.839 2.132 50 40 GEGB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NNC(=O)c1ccccc1F 6011917 ZHZTUUJUEWROQV-UHFFFAOYSA-N 395.730 2.005 50 40 GEGB CCOC(=O)CN1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1 20348002 RVRWICSFJMIZPD-AWEZNQCLSA-N 375.425 2.404 50 40 GEGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc2ccccc2n1 40060233 NPIGGWCSMWDJPP-HNNXBMFYSA-N 392.415 2.141 50 40 GEGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1OC 409317031 OFLJMGLPLIJATE-UUYOSTAYSA-N 385.420 2.112 50 40 GEGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 7386855 HCJMNFXXMJPGQZ-UHFFFAOYSA-N 378.498 2.052 50 40 GEGB CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 27018455 FRDOMBXSDSLOCO-BRVCPTFNSA-N 398.440 2.359 50 40 GEGB Cc1cc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)c2c(C)nn(C)c2n1 252492899 MWYKEWDZVBLRAZ-IFRROFPPSA-N 379.346 2.108 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)s1 408729560 CKCKGQJKIYJRQM-VCHYOVAHSA-N 391.453 2.074 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(S(=O)(=O)O)o1 2318551 HAKPKPMEEGXFLG-OMCISZLKSA-N 393.204 2.362 50 40 GEGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cccc(O)c2O)cc1 3221967 BNFVODGGFFQKOG-DJKKODMXSA-N 383.433 2.283 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 12849135 POICALIBJJSDCP-SJKOYZFVSA-N 390.823 2.403 50 40 GEGB COc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 13623726 KHYBXRDBODEVGO-NRFANRHFSA-N 387.351 2.126 50 40 GEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)c1 30834247 FQGHSYHPKMSFDL-QRVIBDJDSA-N 387.399 2.185 50 40 GEGB C[C@H]1C[C@H]1C(=O)NCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 31553257 JRQUFBDMLVPQQZ-GXTWGEPZSA-N 377.510 2.330 50 40 GEGB CCN(NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccc(C)cc1 48235887 UCAWPANSZZJMCL-UHFFFAOYSA-N 399.472 2.473 50 40 GEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC(=O)O 59334679 OGJSIZGPWZHSTG-WZUFQYTHSA-N 397.225 2.306 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 408784092 RGPQITRPDRZHSW-RGVLZGJSSA-N 393.440 2.059 50 40 GEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 19953507 JTEWDVQVUBHUFG-OOWUWCJESA-N 389.477 2.308 50 40 GEGB CCOc1ccc([C@@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 20083397 FKXPWVPIALHDDX-FXAWDEMLSA-N 389.459 2.497 50 40 GEGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515824 IQJVSJLANLMYIW-XNQWGTPPSA-N 381.432 2.011 50 40 GEGB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408688016 VMYJKDHJLXXFLH-LACSLYJWSA-N 393.237 2.155 50 40 GEGB CCc1ccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)cc1 409055655 ABZQAIXGXOBGNC-CFRMEGHHSA-N 386.415 2.134 50 40 GEGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1OCC 409327364 SPICINSEQJYMBA-QRVIBDJDSA-N 397.431 2.278 50 40 GEGB CCn1c(SCC(=O)NNC(=O)C2CCCCC2)nnc1-c1ccco1 1368470 KRMFAUZNHJRENG-UHFFFAOYSA-N 377.470 2.378 50 40 GEGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 6477691 MUUICGCUWYXHQR-HZPDHXFCSA-N 385.489 2.362 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1C 8414365 MUPKTFNAODKTAV-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(F)c3)C2=O)cc1 18276778 GQAVQVXGTVMFQO-KRWDZBQOSA-N 385.395 2.181 50 40 GEGB COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1O 57476891 ZSCCIRHOXQMAGE-WSDLNYQXSA-N 379.420 2.457 50 40 GEGB CCOC(=O)/C=C(\C)NCCSSCCN/C(C)=C/C(=O)OCC 5386365 SEHMBTBAIUOTHI-PHEQNACWSA-N 376.544 2.481 50 40 GEGB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(Cl)c1 6509122 LTNHYYMQOYSUSJ-CYBMUJFWSA-N 395.868 2.246 50 40 GEGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2C1 7962695 XVGXPABEURQFJZ-DGCLKSJQSA-N 398.550 2.095 50 40 GEGB CC(=O)N(NC(=O)c1ccc(C)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1=O 101117433 QQIAMBIRHWQLRV-KRWDZBQOSA-N 399.834 2.474 50 40 GEGB Cc1ncc(CO)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1O 3538382 SKOAYSXSTGWMQE-HCGXMYGOSA-N 382.342 2.169 50 40 GEGB COc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 8487885 IUYBZJCQMOJMQT-UHFFFAOYSA-N 394.493 2.230 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1C 17079472 INHXCGVEXPROFI-HOTGVXAUSA-N 389.452 2.061 50 40 GEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc(F)c1 409121750 XSANATAQALLTHE-VXLYETTFSA-N 383.832 2.395 50 40 GEGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(F)cc3s2)cc1 4121409 QHCWBGMRRQWDET-UHFFFAOYSA-N 394.453 2.443 50 40 GEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(O)cc2)c(C)c1 6606945 SUWLMZYXLYDGIV-RGVLZGJSSA-N 389.477 2.088 50 40 GEGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 9365308 AZZHSCGNFCQYPF-BDJLRTHQSA-N 376.796 2.095 50 40 GEGB COc1ccc(NC(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1OC 15934318 SBDCXKIXGSZRGA-UHFFFAOYSA-N 379.438 2.336 50 40 GEGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNc1cc(C(=O)O)ccc1Cl 32731730 YOYIFLZRCHBEOZ-UHFFFAOYSA-N 386.795 2.351 50 40 GEGB Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1 2305117 OFNLQZAVHSOHAZ-RGVLZGJSSA-N 380.433 2.187 50 40 GEGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)c(OC)c1 5432854 AGFZZVALFDIWOC-QGZVFWFLSA-N 392.419 2.127 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1O 5514848 QDCFRUPYOQHSLI-DJKKODMXSA-N 377.784 2.152 50 40 GEGB CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)Oc1ccc(C#N)cc1 12541297 UEOBPPFDDDXWER-AWEZNQCLSA-N 391.431 2.085 50 40 GEGB CC(C)=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 19949810 ZLZOVAZAEOOYMG-UHFFFAOYSA-N 390.421 2.302 50 40 GEGB COc1cccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc(C#N)c2)c1 100372546 FZEJGJYGJITYLN-ZMOGYAJESA-N 393.403 2.026 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1OC 14244422 OOTFLOMSYCNDFN-KPZWWZAWSA-N 386.404 2.083 50 40 GEGB Cc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S 34236453 ACUWUNISZZZIEL-KAMYIIQDSA-N 380.429 2.402 50 40 GEGB Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1Cc1ccccc1 2622314 JKQJUXZHKFOMCI-UHFFFAOYSA-N 381.461 2.188 50 40 GEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 15991417 HRYUYYBKAZDDNE-CYBMUJFWSA-N 385.395 2.039 50 40 GEGB Cc1nn(-c2ccc(C(=O)NNC(=O)C3CC3)cc2)c(C)c1Br 46125007 QTKBMUGZYZXPKF-UHFFFAOYSA-N 377.242 2.423 50 40 GEGB Cc1c(Br)c(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)nn1C 252499800 SERLBYKJOGTNSG-YAXRCOADSA-N 393.167 2.014 50 40 GEGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cncc(Br)c1 2325456 ZPLXMHDZUWHYBL-CNHKJKLMSA-N 378.182 2.071 50 40 GEGB COc1cccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1OC 4156703 DDUSADGRHUBCNZ-ORWNMUSCSA-N 381.432 2.170 50 40 GEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C)([C@@H](O)C1)C3(C)C)C[C@H]2O 5206147 KTHKFBXSXFSTAX-MVAURDRXSA-N 392.540 2.288 50 40 GEGB NS(=O)(=O)c1cc(C(=O)NNC(=O)CCC2CCCCC2)ccc1Cl 6985108 WBLOOHJNRIZZJN-UHFFFAOYSA-N 387.889 2.109 50 40 GEGB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C)c1 8033090 MIPBPTUNXKNEDS-UHFFFAOYSA-N 397.884 2.380 50 40 GEGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3cc(F)cc(F)c3)ccc12 12860700 RMOLNZGLEXIQOR-UHFFFAOYSA-N 388.326 2.220 50 40 GEGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)C(=O)NC1CCCCC1 13562717 ICEIXJNLHOWYDE-OEAKJJBVSA-N 387.484 2.022 50 40 GEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2)cc1 28617630 IALKRQUJNBGVJF-ODLFYWEKSA-N 379.869 2.419 50 40 GEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC 57509041 GBUATHIJWJFUQN-ZDUSSCGKSA-N 384.816 2.122 50 40 GEGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 107910196 IUBMINRZWJRNSE-LNOXHEFASA-N 385.420 2.040 50 40 GEGB Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2)c2nc3n(c2n1)CCCCC3 32786843 CPVNIJUACODUAL-UHFFFAOYSA-N 399.476 2.089 50 40 GEGB COc1cccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1OC 4156706 DDUSADGRHUBCNZ-QQZPLFJDSA-N 381.432 2.170 50 40 GEGB O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc[nH]c1=O 12562881 KHAPIMOFMLKLPO-UHFFFAOYSA-N 385.383 2.060 50 40 GEGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NC1CC1 408708781 SRTKGHVTGLYMCH-SRZZPIQSSA-N 380.404 2.166 50 40 GEGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OC)c3O)CC2=O)cc1 409151310 GAVITOKZSMVRFL-BDQMVGTNSA-N 381.432 2.466 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cncn1-c1ccccc1 7131777 ZUHGSMAYMQKBJZ-UHFFFAOYSA-N 394.815 2.288 50 40 GEGB Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(F)cc1 29562358 KYPUWTUUWQPSNR-CQSZACIVSA-N 398.438 2.005 50 40 GEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1 33696290 LPROATQKUCSHBR-CIAFOILYSA-N 383.404 2.351 50 40 GEGB N#CC1=C(S)N[C@@H](c2cccnc2)[C@](C#N)(C(N)=S)[C@@H]1c1cccnc1 106586344 OBBLUHIVXCKYME-RVKKMQEKSA-N 378.486 2.366 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 408771346 HIWDPYMZVMADOH-XSFVSMFZSA-N 377.441 2.441 50 40 GEGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)c1O 2320253 WVITYUGTCBPEQS-RGVLZGJSSA-N 397.460 2.439 50 40 GEGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 5442444 VPQUCAFOBUPNGS-FXBPSFAMSA-N 382.376 2.087 50 40 GEGB Cn1c(=O)n(CC(=O)NNC(=O)c2cc(Cl)ccc2Cl)c2ccccc21 14301875 YUYMOPSRMUPAHS-UHFFFAOYSA-N 393.230 2.108 50 40 GEGB Cn1cc(-c2nc(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)cs2)cn1 40144756 WHOAOHQKQDUUFV-UHFFFAOYSA-N 393.432 2.009 50 40 GEGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccs1)OCc1ccccc1 408992873 UVNYDBLGLIBBSF-CBVHTYNASA-N 397.460 2.459 50 40 GEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)c1 409051188 BQHIBSRHLFBSKL-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1 409262257 HDPCGVIVDCWVHK-OCKHKDLRSA-N 376.210 2.077 50 40 GEGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)ccc1OCC(N)=O 662594 BJSJLJNGTNIILQ-VCHYOVAHSA-N 393.443 2.481 50 40 GEGB COc1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)c(OC)c1 943343 ZEXWVDCPSRTCCJ-CIAFOILYSA-N 380.404 2.023 50 40 GEGB O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1 5344509 CVAHTEPPAJNTDS-QGMBQPNBSA-N 378.182 2.071 50 40 GEGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(COc2ccccc2)cc1 7652532 WMSNPFRZZBZUQQ-UHFFFAOYSA-N 393.399 2.050 50 40 GEGB Cc1ccc(CN(CC(=O)NN)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 8372378 JEPXRPQTKGBJDO-UHFFFAOYSA-N 375.494 2.101 50 40 GEGB CSc1ncc(Br)c(C(=O)NNC(=O)c2ccc(C)cc2)n1 27991290 QCCMEOVSABRJMQ-UHFFFAOYSA-N 381.255 2.344 50 40 GEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(O)c2)c(C)c(C#N)c1=O 409061918 JZVWEMQMNOBILO-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(Cl)c(F)c1)C(F)(F)F 2769552 LUJYDMVOZOROBZ-GZMMTYOYSA-N 378.105 2.491 50 40 GEGB Cc1cccc(NCC(=O)N/N=C/C=N/NC(=O)CNc2cccc(C)c2)c1 18143294 ALKVROZWHXZTIH-WDBPGAOMSA-N 380.452 2.031 50 40 GEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408792921 CBPWCBFGKGYHQN-GHRIWEEISA-N 379.416 2.374 50 40 GEGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408610124 MJFZZBQUWQZJII-OGBFJMLUSA-N 399.422 2.150 50 40 GEGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)c4ccsc4)[C@@H]23)cc1 100224019 WLPRYIDFGAYGMT-QNGSBHBTSA-N 399.428 2.017 50 40 GEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2N)cc1OC 6951530 WYYZDGUXCWYGIW-ZVBGSRNCSA-N 391.811 2.247 50 40 GEGB COc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1 17197597 OBOYJEBHEOGXRX-PKOBYXMFSA-N 375.432 2.059 50 40 GEGB CCOC(=O)NNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 32857796 KGQIGCFPTFOPLC-JTQLQIEISA-N 377.344 2.286 50 40 GEGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(OC)c1O 408752036 BJEFTVPNRYTAQH-SSDVNMTOSA-N 381.388 2.487 50 40 GEGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1 5671391 KIYSOOSGCKJAFD-QXIUKBIYSA-N 388.424 2.359 50 40 GEGB CN(NC(=O)c1ccccc1Br)C1=NS(=O)(=O)c2ccccc21 5509644 CDYMZKYLQBKWTP-UHFFFAOYSA-N 394.250 2.175 50 40 GEGB C[C@@H](CC(=O)NNC(=O)c1cc(Cl)ccc1O)NC(=O)c1ccccc1 11838096 ALOVMVFJCHUKFG-NSHDSACASA-N 375.812 2.015 50 40 GEGB C[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)C2(C#N)C#N 20459401 ATGUDXZRTICYID-JOTOCRJQSA-N 387.443 2.390 50 40 GEGB COc1ccc(C(N)=O)c(OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c1 31781645 PCMNDUNJSAUCNH-UHFFFAOYSA-N 392.415 2.063 50 40 GEGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2 3074882 OPXGQOCGRAYBBQ-UHFFFAOYSA-N 397.347 2.135 50 40 GEGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 6310493 MMTYWMOXUBFVHK-MRXNPFEDSA-N 390.823 2.485 50 40 GEGB O=C(CCC1CCCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3554501 RZOMDXHHVLZJJM-UHFFFAOYSA-N 393.509 2.203 50 40 GEGB CCn1c(C)nc2cc(C(=O)NNC(=S)NC(=O)c3ccccc3)ccc21 3199721 FVOYXAPBGSTMDV-UHFFFAOYSA-N 381.461 2.314 50 40 GEGB Cc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)cc1C 6923834 OWNNCKFUQWCMOM-GDNBJRDFSA-N 394.387 2.251 50 40 GEGB COc1cc(/C=N/NC(=O)CCC(=O)NCc2ccccc2)cc(OC)c1OC 4523889 SMRZCBQGBSRNGT-OEAKJJBVSA-N 399.447 2.259 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc2c1OCO2 5634289 UHDDNZRGHLQJII-INIZCTEOSA-N 389.367 2.484 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(F)cc1 8217885 UUIAXAUFMKQYMI-SSDVNMTOSA-N 387.411 2.388 50 40 GEGB O=C(/C=C/c1ccc(Br)o1)NNC(=O)[C@@H]1COc2ccccc2O1 15795281 JDIWZPATKHYBTE-CFNZNRNTSA-N 393.193 2.043 50 40 GEGB CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 16203379 VISYTCFJBWGSMF-JTQLQIEISA-N 376.344 2.004 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(F)cc1 20208009 GYDLOQFCVQFQJD-XSFVSMFZSA-N 377.441 2.441 50 40 GEGB O=C(NN/C=C1/C(=O)N(CCC2=CCCCC2)C(=O)N=C1O)c1ccccc1O 38170207 QRCXXZVCZJEACE-NTCAYCPXSA-N 398.419 2.320 50 40 GEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cc(Br)ccc1O 83329554 YIQXDKDJUGIBGS-GXHLCREISA-N 392.209 2.446 50 40 GEGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 409023719 DCLFJHGKQMGWGY-DEDYPNTBSA-N 389.477 2.174 50 40 GEGB Cc1nnc(SCC(=O)NNC(=O)c2cccs2)n1Cc1ccccc1 3448199 VYARTWYQOBBKEQ-UHFFFAOYSA-N 387.490 2.250 50 40 GEGB CCC[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccccc1 12800416 VRCZWJSGIOQJLS-OAHLLOKOSA-N 388.493 2.325 50 40 GEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 16154300 LHRPSFMJXJZANF-UHFFFAOYSA-N 391.493 2.171 50 40 GEGB COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)cc(Br)c1O 408719057 ICTFJBSNJWVBOS-RQZCQDPDSA-N 387.230 2.157 50 40 GEGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(O)=NC2=S)cc1 33926276 SSKHKTDWTNMHMN-PTNGSMBKSA-N 380.429 2.402 50 40 GEGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=S)Nc1ccccc1F 2638736 CLJHNKZRTNOLCN-UHFFFAOYSA-N 381.454 2.007 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)N2CCCC2)ccc1OCc1ccccc1 408718539 WEPIZTOGKJXIFC-HYARGMPZSA-N 381.432 2.347 50 40 GEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408776883 RQPVGMMAAJZANN-VXLYETTFSA-N 395.868 2.270 50 40 GEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1 408732150 SUGBRTPSDOQSDA-WOJGMQOQSA-N 375.454 2.455 50 40 GEGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)ccc21 33497917 XPCVDEANGXHIKD-ZSOIEALJSA-N 376.372 2.121 50 40 GEGB C/C(=N/NC(=O)c1sc(N2CCOCC2)nc1C)c1ccc2c(c1)OCO2 40161337 HHYDUCJWJICDFS-JAIQZWGSSA-N 388.449 2.171 50 40 GEGB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCCl)c(C)cn34)n(C)c2=O)c1 10104395 KJQSTKDKZTWUJC-UHFFFAOYSA-N 399.882 2.362 50 40 GEGB C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 5164453 NIMRQXUCDOWXIB-XQNSMLJCSA-N 378.432 2.314 50 40 GEGB Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2)nn1-c1ccc(Cl)cc1 7239563 SNKPKGQFWMDOTE-UHFFFAOYSA-N 382.807 2.269 50 40 GEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)s1 7385234 ZJIIQWNPGCGAMN-MRVPVSSYSA-N 378.834 2.318 50 40 GEGB O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 32125001 GXBZPDHNLGCHIO-YVLHZVERSA-N 390.377 2.351 50 40 GEGB CCOC(=O)/C=C(/C)NCCSSCCN/C(C)=C/C(=O)OCC 104206281 SEHMBTBAIUOTHI-HEEUSZRZSA-N 376.544 2.481 50 40 GEGB C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1ccc(O)cc1)c1ccc(O)cc1 5725233 QHADMBQSGJHJBN-JFMUQQRKSA-N 382.420 2.259 50 40 GEGB O=C(CCc1ccccc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109375 FEOKSEFCLMHNNH-UHFFFAOYSA-N 393.418 2.430 50 40 GEGB CC(C)=CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 32904353 YDRZTUXBRVXTPO-UHFFFAOYSA-N 376.420 2.116 50 40 GEGB COc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2Br)cc1 33642077 PMOMCZJFSVVVPH-JMIUGGIZSA-N 390.237 2.338 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)c1 59516251 FBUHBGHBNSOWTD-KEBDBYFISA-N 391.811 2.455 50 40 GEGB COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1 409127831 KBGWQFPJJOMGGV-XKZIYDEJSA-N 387.411 2.200 50 40 GEGB NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1015036 FGAGXESJHPEJPL-ODCIPOBUSA-N 396.230 2.387 50 40 GEGB COc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCO3)o2)c([N+](=O)[O-])c1 5415353 YQWRVWKCJNIMEC-YBFXNURJSA-N 389.364 2.467 50 40 GEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 5514894 PETDMDBTKKYMML-KEBDBYFISA-N 391.811 2.455 50 40 GEGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 7785447 JMBWADVGWWVBEQ-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(O)cc2O)cc1OC 32565551 XVSYIGPSWWKOPM-FBHDLOMBSA-N 382.376 2.269 50 40 GEGB C=CCc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(OC)c1OCC(=O)O 408854430 FPSFGZMTQMSKHV-SRZZPIQSSA-N 384.388 2.357 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1 8115046 AASYQXHQXSKBNV-HYLGSWLWSA-N 385.395 2.346 50 40 GEGB C[C@@]1(CI)CO[C@@](C)(CI)CO1 4758755 ZFJOCMDMXPIRAY-OCAPTIKFSA-N 396.006 2.421 50 40 GEGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6204271 CIOYJMZFRMBCNP-LKKXKRCMSA-N 398.806 2.263 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc(C)c1Cl 102201630 ZPMYSLVNAALTSX-RKLWJJNISA-N 394.855 2.230 50 40 GEGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccccc1 1243111 QMSKUQODJZIPDQ-SRZZPIQSSA-N 397.460 2.401 50 40 GEGB CCCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccncc1 5430379 ZQNGEPDWLZXSQJ-UHFFFAOYSA-N 396.476 2.303 50 40 GEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2)cc1 5873389 UFBYUFNMLNHROF-UHFFFAOYSA-N 385.420 2.030 50 40 GEGB N#CCC(=O)N/N=C/c1cc(Br)c(I)o1 6240096 RGOWRPSKPCNCAB-UUILKARUSA-N 381.955 2.010 50 40 GEGB COc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19938698 OMSLUSPVMAPCMN-LPHOPBHVSA-N 375.432 2.059 50 40 GEGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)cc1 409051589 AYUVQYWHXWUBAZ-CFRMEGHHSA-N 386.415 2.134 50 40 GEGB NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1 409262657 GHYMDTYBOMUEHD-OCKHKDLRSA-N 376.210 2.077 50 40 GEGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 4616769 SMBHRVRWTQZWFK-UHFFFAOYSA-N 381.432 2.438 50 40 GEGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 225586798 YXCBAYFFEZSVOO-IHETXDGRSA-N 384.432 2.292 50 40 GEGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408969610 QQKOHQKGUZTLJS-SSDVNMTOSA-N 390.871 2.269 50 40 GEGB Cn1c(=O)[nH]c(=O)c2c1nc(SCCCl)n2Cc1ccccc1Cl 2070773 RPEWHXJJZCADKZ-UHFFFAOYSA-N 385.276 2.456 50 40 GEGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1 4121339 DFRYIBLMSXJUPJ-UHFFFAOYSA-N 394.453 2.443 50 40 GEGB NS(=O)(=O)c1cc(C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1Cl 6085043 ZDCLXWHRFRKMRR-UHFFFAOYSA-N 397.737 2.301 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2nc3ccccc3[nH]2)c1 7342988 DHDVVQOEIWXZMV-UHFFFAOYSA-N 386.433 2.133 50 40 GEGB CCOc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1OCC 12698734 SCABHUOOEXNWFA-UHFFFAOYSA-N 379.438 2.499 50 40 GEGB CS(=O)(=O)c1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 23686988 PQNFQNMPMISDIT-UHFFFAOYSA-N 376.478 2.068 50 40 GEGB O=[N+]([O-])[C@]12CC=C(OCCCl)[C@]([N+](=O)[O-])(CN(Cc3ccccc3)C1)C2 36028940 XLXZSWPVZWFUCK-DLBZAZTESA-N 381.816 2.466 50 40 GEGB COc1ccc(-c2cc(C(=O)NNC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1 103248813 FRVIXOMYZCWYSV-WHOFXGATSA-N 385.493 2.383 50 40 GEGB O=C(N/N=C\c1ccccc1O)C1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 104213922 OJZSHKAQRAXTEN-HRDYJHLPSA-N 398.532 2.393 50 40 GEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCC)c2O)cc1 223156316 NHVZZXTZGPXZCC-MTJSOVHGSA-N 399.403 2.056 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3F)C2=O)cc1 2232911 XXYLVVXEIJPHSZ-KRWDZBQOSA-N 385.395 2.181 50 40 GEGB COc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OC(F)F 5272870 MJCAGBFCDQFPBG-UHFFFAOYSA-N 380.347 2.445 50 40 GEGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 8103750 QWNCZIGTSNJMMV-AWEZNQCLSA-N 377.441 2.050 50 40 GEGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)c1 8414597 QKSKRIHXYGWGIV-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB CC(C)C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408866909 JZHMHEHRIJCRCD-UFFVCSGVSA-N 390.827 2.294 50 40 GEGB O=C1C=C(N(CCCl)CCCl)C(=O)C=C1N(CCCl)CCCl 1558099 ZYPXOVBSTMWXQK-UHFFFAOYSA-N 388.122 2.465 50 40 GEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3102420 VFDYWJKNMWXQED-REZTVBANSA-N 394.727 2.391 50 40 GEGB O=C(CNC(=O)c1ccccc1Br)N/N=C\c1ccc(O)cc1 36077395 OKXJTIUTBGSAPL-OCKHKDLRSA-N 376.210 2.035 50 40 GEGB CC(C)C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)N1CCCCC1=O 79068842 XNZBMYFEGZDQCZ-ZBFHGGJFSA-N 393.459 2.168 50 40 GEGB COc1cc(Br)c(O)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 408592050 XGDHYSSLNDZBLQ-UPAIAECRSA-N 379.210 2.347 50 40 GEGB COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 2629315 SLEYRWZLBSTOEF-KEBDBYFISA-N 390.392 2.199 50 40 GEGB NC1=NC(c2ccccc2)=N[C@@]1(NS(=O)(=O)c1ccccc1)C(Cl)Cl 5602750 CJWOHZZNAVRORN-MRXNPFEDSA-N 397.287 2.283 50 40 GEGB O=C(N/N=C\c1ccc(I)o1)[C@H]1COc2ccccc2O1 12360078 OAPWKVRPPFXPFI-YNUIFBACSA-N 398.156 2.174 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 19955323 GNMJVWFYLQPRMA-UDWIEESQSA-N 389.477 2.228 50 40 GEGB Cc1ccccc1C1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCOCC1 57384794 BCVPCHLNWLRFIA-UHFFFAOYSA-N 396.443 2.276 50 40 GEGB Nc1ccc(-c2ccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)cc2)cc1 575425492 ZCUKAJRMPVUETP-HZPDHXFCSA-N 379.869 2.462 50 40 GEGB CSCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NNc1ccccc1 1593788 CPXZSUSONKKSLT-QGZVFWFLSA-N 393.534 2.371 50 40 GEGB COc1c(O)c(Br)cc(/C=N/NC(=O)c2cccnc2)c1[N+](=O)[O-] 408729882 KKSUBMPGHSHUMH-REZTVBANSA-N 395.169 2.230 50 40 GEGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cncn1-c1ccc(F)cc1 5266980 QUYIFAIJUJVNBW-UHFFFAOYSA-N 394.815 2.288 50 40 GEGB O=C(CNC(=O)C1CCCCC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5863828 SXFKFXQXJYYNPJ-UHFFFAOYSA-N 375.513 2.437 50 40 GEGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)NCc1ccco1 6322831 QUGMIZRDRKRAAG-FSJBWODESA-N 393.399 2.444 50 40 GEGB O=C1CC[C@@H](C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)N1 7718335 USLIBBMAAUUSKJ-AWEZNQCLSA-N 380.429 2.003 50 40 GEGB CCCCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 9319053 UBGCXDNTVJOJAI-SAPNQHFASA-N 386.452 2.443 50 40 GEGB COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 98087148 ZSJJCPOJZOTXDK-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408772172 BYPGHWTUMJXFCE-UDWIEESQSA-N 389.477 2.228 50 40 GEGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1OCC 408917901 CNSRROROFDORQV-UDWIEESQSA-N 380.828 2.354 50 40 GEGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409122470 ZGYFRTKAKOPINM-XQNSMLJCSA-N 395.459 2.007 50 40 GEGB O=C(CCCOc1ccc(Br)cc1)NNC(=O)c1ccncc1 12971875 OXJRYKHFAFELQF-UHFFFAOYSA-N 378.226 2.464 50 40 GEGB CC(C)NC(=O)C(=O)NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 53691030 UWBLZBVTVNZSPL-UHFFFAOYSA-N 385.386 2.189 50 40 GEGB O=C(c1cccc(B(O)O)c1)N1CCC(c2ccc(Br)cc2)CC1 584987765 YKMCRJCRUOMLCU-UHFFFAOYSA-N 388.070 2.149 50 40 GEGB CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12 4517248 LQKWOPLUJGAHIC-QFIPXVFZSA-N 387.395 2.158 50 40 GEGB C#CCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2cc(Br)ccc21 6199599 MKFAOTNFPYLBPQ-LTGZKZEYSA-N 397.232 2.266 50 40 GEGB O=C(CNC(=O)c1ccccc1Br)N/N=C\c1ccc(F)cc1 38202526 APLPDYPNTXIEEW-UKWGHVSLSA-N 378.201 2.468 50 40 GEGB N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc(OCC(N)=O)cc1 5491461 DWLORICTOJOWDP-QGZVFWFLSA-N 387.399 2.159 50 40 GEGB CCn1nc(C(=O)NNC(=O)Cc2ccccc2Cl)c2ccccc2c1=O 6454735 XTMLSNAZMXOOJV-UHFFFAOYSA-N 384.823 2.074 50 40 GEGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C(=O)OC)cc1 8733212 XHAYAFNSOWPUGR-CYBMUJFWSA-N 385.258 2.482 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 58884798 FELBHKVDRKBPBK-GIJQJNRQSA-N 376.756 2.346 50 40 GEGB Cc1ccc(/C=C/C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)o1 95939663 QLSBRBSHEBGJGI-CMDGGOBGSA-N 392.456 2.237 50 40 GEGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccncc1 96585588 QMPQRWUAAPHOIE-KQWNVCNZSA-N 385.899 2.393 50 40 GEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@H](C#Cc2ccccc2)N1C(=O)c1ccccc1 104395312 IBAKJKSWHOXCJI-WRTQPQOASA-N 383.403 2.433 50 40 GEGB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1ccccc1 408685110 OQUQIPSVWHSJSB-XENHGBDPSA-N 393.233 2.372 50 40 GEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCOCC2)c(F)c1 409134115 NDFXYXOLHWMDSM-XKZIYDEJSA-N 387.411 2.200 50 40 GEGB CC(=O)c1ccc(OCCCC(=O)NNC(=O)COc2cccc(F)c2)cc1 2657468 LOVZHFKNVNKORK-UHFFFAOYSA-N 388.395 2.414 50 40 GEGB O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 6509395 DGZLWQKYYDJGNF-GOSISDBHSA-N 388.395 2.224 50 40 GEGB Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)cc1 8220182 NMQWJFFRKJFSOT-FSJBWODESA-N 393.447 2.216 50 40 GEGB Cc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2Br)c(O)c1 15134304 DRFDNMDROMFEOV-UKWGHVSLSA-N 390.237 2.343 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 408730525 HJFLZFLLMJDLKU-LICLKQGHSA-N 390.425 2.268 50 40 GEGB COc1ccccc1C(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409012159 JHBXTIZMLXHBRY-DEDYPNTBSA-N 384.392 2.204 50 40 GEGB CN1C(=O)/C(=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc21 409333688 VFHYAAJLBSJKEY-HIXSDJFHSA-N 384.395 2.297 50 40 GEGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)/C=C/c1ccccc1 8855598 NMKRGLNDQAUDRD-BQYQJAHWSA-N 384.255 2.023 50 40 GEGB Cc1cccc(C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 15743410 ZXASMEYPWSOONG-UHFFFAOYSA-N 395.440 2.118 50 40 GEGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c(O)c1 15938493 LNPSZOXTRFCZMQ-DICZEVPMSA-N 394.475 2.218 50 40 GEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)COc2ccc(OC)cc2)cc1 100522668 XQEODYFXYCELPM-HZHRSRAPSA-N 399.447 2.281 50 40 GEGB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CCl)c1 585293467 XTBVRTPEPNIXNK-HNNXBMFYSA-N 395.887 2.405 50 40 GEGB O=C(COC(=O)c1ccccc1Br)NNC(=O)c1ccccc1 3506811 RNKLSECKDWTNSK-UHFFFAOYSA-N 377.194 2.067 50 40 GEGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(O)cc1O 5578219 IVPBYVKBUVMIRT-UHFFFAOYSA-N 390.193 2.255 50 40 GEGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc2c(c1)OCCO2 7208631 HKTODPVGXSLFQR-NTEUORMPSA-N 380.356 2.467 50 40 GEGB O=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)c1ccc2c(c1)OCO2 15793723 GVSBKXJRQAICJN-FPYGCLRLSA-N 376.315 2.491 50 40 GEGB Cc1cccc2c1N(CC(C)C)C(=O)[C@@]21C(C#N)=C(N)NC2=C1C(=O)OC2(C)C 80337479 WXBGSGHVZVLVDS-JOCHJYFZSA-N 392.459 2.122 50 40 GEGB N#C/C(=C\c1ccccc1)C(=O)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2097535 DPLQXMYYGOBWBN-BDQDRXGSSA-N 388.427 2.111 50 40 GEGB O=C(COc1ccccc1Cl)NNS(=O)(=O)c1ccccc1Cl 7410690 NLAPJLKNJLHSGN-UHFFFAOYSA-N 375.233 2.382 50 40 GEGB O=C(N/N=C/c1ccc(-n2ccnc2)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 7738597 SFSHVGGBOJFIOE-ZMOGYAJESA-N 398.426 2.292 50 40 GEGB COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2cccc(OC)c2OC)c1 8379967 HFUBHECIXJBNNN-CMDGGOBGSA-N 386.404 2.195 50 40 GEGB COc1cccc(NC(=O)NNC(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)c1 15935661 JGMNRQMDVCEKPI-UHFFFAOYSA-N 384.392 2.271 50 40 GEGB N#CC1=C(S)N[C@H](c2cccnc2)[C@](C#N)(C(N)=S)[C@H]1c1cccnc1 20813532 OBBLUHIVXCKYME-HDMKZQKVSA-N 378.486 2.366 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 101314049 OCVCQIYQFZGVDP-HKLAFJFVSA-N 397.280 2.319 50 40 GEGB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(OC)c1 408801751 BKNDCASMRVCJKJ-KPKJPENVSA-N 394.225 2.030 50 40 GEGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 1295697 YOXWXXJACRBUQV-HYARGMPZSA-N 395.463 2.171 50 40 GEGB O=C(CCC(=O)c1ccc2c(c1)CCC2)NNC(=O)c1ccc2c(c1)OCO2 26966226 XJWONKAQXGPQPD-UHFFFAOYSA-N 380.400 2.328 50 40 GEGB COc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 28773010 CVDRPLQETOGPHX-GFCCVEGCSA-N 387.823 2.163 50 40 GEGB C[C@]1(C(=O)NNC(=O)c2ccc(Br)cc2)C[C@@H]1Br 2300682 LIGQBXSDWRSGON-CABZTGNLSA-N 376.048 2.384 50 40 GEGB Cc1cccc(Cn2c(=O)c3c(nc4n(CCCl)c(C)cn34)n(C)c2=O)c1 10104391 NNPOCYWOSYVDMG-UHFFFAOYSA-N 385.855 2.053 50 40 GEGB C#CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 408718650 OVKGODDLACFUAK-LPYMAVHISA-N 398.415 2.497 50 40 GEGB Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(C)c21 5490844 VOKXBVYTQNVOQU-MRXNPFEDSA-N 386.209 2.114 50 40 GEGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cccc([N+](=O)[O-])c1 5584368 KDRJRHJLRYGDQJ-GIJQJNRQSA-N 385.771 2.052 50 40 GEGB O=C(COc1cccc(Br)c1)NNC(=O)Cc1ccccc1F 7777119 NBSGNMIBBKWZFJ-UHFFFAOYSA-N 381.201 2.357 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccco1 2370157 SBZDESZGQNVZOF-UHFFFAOYSA-N 388.232 2.301 50 40 GEGB COc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1OC 3585527 NUKANXPCRWLZDX-UHFFFAOYSA-N 391.855 2.250 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1 8115038 AASYQXHQXSKBNV-DACUGSJHSA-N 385.395 2.346 50 40 GEGB CCCc1c(C(=O)N/N=C(\C)c2cc(C)sc2C)nnn1-c1nonc1N 13788123 QEQQEEHWHDYELF-GIJQJNRQSA-N 388.457 2.017 50 40 GEGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cc2c(s1)CCC2 25323156 RGCKJPXGEYLBSB-CYBMUJFWSA-N 387.461 2.143 50 40 GEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 101304289 RZWPXYNQCQPCJG-DRYFDLRVSA-N 393.317 2.176 50 40 GEGB COc1cc(C(=O)N/N=C/c2ccncc2)ccc1I 408747734 SEVUIQAQEBCUPZ-RQZCQDPDSA-N 381.173 2.459 50 40 GEGB O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 6241650 YXCBAYFFEZSVOO-BODMPHMZSA-N 384.432 2.292 50 40 GEGB COc1cccc(/C=N\NC(=O)N/N=C/c2cccc(OC)c2OC)c1OC 8616882 CDRXZHLYGXTGPO-WELBJSHPSA-N 386.408 2.388 50 40 GEGB CCOc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 44859814 OOMDIZXTUJIDAN-WOJGMQOQSA-N 395.506 2.372 50 40 GEGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 58914001 PGDBRGJMFSHJAL-QRVIBDJDSA-N 384.480 2.314 50 40 GEGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](NC(N)=O)[C@H](C)CC)cc2C1 105699953 CZDFVPHOCAWELF-HFAKWTLXSA-N 380.514 2.107 50 40 GEGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cccnc1 6229898 SGAPEFGDRCCXON-FSJBWODESA-N 376.372 2.468 50 40 GEGB CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408689893 SUXNRWHFHXDPFP-MBIARJLFSA-N 378.222 2.399 50 40 GEGB COc1ccc(CC(=O)NNC(=O)c2ccccc2Br)cc1OC 8204708 QIIKULLBGHIQGX-UHFFFAOYSA-N 393.237 2.470 50 40 GEGB C/C(=N\NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(O)cc1O 12362274 CRZVJKVFRXKKBQ-HYARGMPZSA-N 381.432 2.490 50 40 GEGB CCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20027245 MCKFYODITUQQNK-YLJYHZDGSA-N 389.459 2.449 50 40 GEGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN)Cc2ccc(Cl)cc2)c(C)c1 33404577 QCEUJJQOMLNQKR-UHFFFAOYSA-N 395.912 2.446 50 40 GEGB CC(C)Oc1ccc(C(=O)NNC(=O)c2csc(-c3cnn(C)c3)n2)cc1 40142933 XRXYWVCJRJCZLV-UHFFFAOYSA-N 385.449 2.406 50 40 GEGB COc1ccccc1OCC(=O)NNC(=O)/C=C/c1cnn(-c2ccccc2)c1 15430066 FFJLVHAIOXQWBF-VAWYXSNFSA-N 392.415 2.121 50 40 GEGB O=C(/C=C/c1cccs1)NNC(=O)CCN1CCN(c2ccccc2)CC1 5199582 MFTTXSXYLKOZEP-CMDGGOBGSA-N 384.505 2.121 50 40 GEGB COc1ccc(OC)c([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19852490 RCEHSXJOTGDHRA-PKOBYXMFSA-N 375.432 2.059 50 40 GEGB CC1=CC(=O)[C@@H](Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 101028287 MDZPVUVVDJNNRT-VFXRXHLTSA-N 377.205 2.468 50 40 GEGB COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OC 28217780 LYCKUQGEWSBNNZ-VCHYOVAHSA-N 384.274 2.402 50 40 GEGB COc1ccc(/C=N/NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2)c(OC)c1 35361886 FESHOMPRBXBJFM-RIDKEVFESA-N 378.432 2.350 50 40 GEGB biogenic Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 408995904 BXYPPGQVEKWMGW-WSDLNYQXSA-N 393.447 2.310 50 40 GEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc2c1OCO2 5634290 UHDDNZRGHLQJII-MRXNPFEDSA-N 389.367 2.484 50 40 GEGB CCOc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC 32704969 PMJUHLZRFQEGHG-GHPQBCTQSA-N 381.432 2.074 50 40 GEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 223159857 KLPLQNNZZCQVQT-UUYOSTAYSA-N 391.383 2.421 50 40 GEGB Cc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 409004755 BUHGIVPNYRQAPQ-KGENOOAVSA-N 381.436 2.419 50 40 GEGB Cc1c(C(=O)N/N=C\c2cccc(O)c2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409060309 PMFMAQLFYZRPPY-KSEXSDGBSA-N 391.362 2.021 50 40 GEGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1C 4474125 DBRVUOLGBJSSSB-BUVRLJJBSA-N 396.447 2.141 50 40 GEGB COC(=O)c1c(NC(=S)NNC(=O)c2ccncc2)sc2c1CCCC2 6735080 XNOIRLCESUSKLK-UHFFFAOYSA-N 390.490 2.440 50 40 GEGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccccc2C#N)c1 16136938 IDQRSJPBTFWZMM-OEAKJJBVSA-N 380.404 2.467 50 40 GEGB CC(C)N(C(=O)c1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C)C(C)C 201338305 ZPALGJNKSRRODE-UHFFFAOYSA-N 388.273 2.363 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)ccc2O)cc1 3216101 VVRAYDIIRFCIGF-UHFFFAOYSA-N 385.239 2.086 50 40 GEGB O=C(NCc1cccnc1-n1cncn1)NNc1ccc(OC(F)(F)F)cc1 46095772 HPUVTYINKNZPOH-UHFFFAOYSA-N 393.329 2.387 50 40 GEGB CN1CCC(=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 57466800 CSIGKRSVDJSJHR-UHFFFAOYSA-N 380.448 2.402 50 40 GEGB CC/C(=N\OCc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1 4917060 PRWJWOMCJUXRMV-LVZFUZTISA-N 375.450 2.287 50 40 GEGB O=C(NN/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O)c1ccccc1 13809768 SUTYWPKSSYAEEW-ZRDIBKRKSA-N 384.392 2.232 50 40 GEGB CC(C)c1nc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c[nH]1 72301186 FTUNZDMCYAFRIC-UHFFFAOYSA-N 380.514 2.449 50 40 GEGB O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(B(O)O)c1 642815025 STRKHABUROGCJC-UHFFFAOYSA-N 398.847 2.144 50 40 GEGB COCc1c(C(=O)OCC(=O)NNC(=O)c2cccs2)oc2ccccc12 3372329 BNMYBDLQVRSLAB-UHFFFAOYSA-N 388.401 2.259 50 40 GEGB CCn1c(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)nc2ccccc2c1=O 14367783 NDPYOCZAMUPHJT-YVEFUNNKSA-N 380.404 2.088 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 17202608 CYXXCNRYSXBSFM-UHFFFAOYSA-N 398.444 2.383 50 40 GEGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(C)(=O)=O 20210446 NCPHDSZYRONVBP-QGOAFFKASA-N 395.506 2.453 50 40 GEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 2779891 LDGLKCOYVVSOJI-BNOWGMLFSA-N 380.828 2.230 50 40 GEGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C\c1ccncc1 33344948 AOPFILUNZGWVKJ-IUXPMGMMSA-N 379.170 2.281 50 40 GEGB O=C1O[C@@H]2C[C@]13Cc1ccccc1[C@@]3(C(=O)O)C[C@@H]2I 5004851 JLEHQLHDDIKONB-RBDSIQFVSA-N 384.169 2.074 50 40 GEGB CN(C)N(C(=O)COc1ccc(Cl)c2ccccc12)[C@H]1CCS(=O)(=O)C1 8848346 FHWMTPIXDVTTNG-ZDUSSCGKSA-N 396.896 2.364 50 40 GEGB CCOC(=O)c1ccc(N/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 9341862 ATFKKMJIZZAHBS-ATVHPVEESA-N 383.404 2.014 50 40 GEGB O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccc2c(c1)OCO2 16431056 QCJILZNKNFQQLE-UBKPWBPPSA-N 379.166 2.353 50 40 GEGB CN1/C(=C(\C#N)C(=O)c2nc(S(C)(=O)=O)ncc2Cl)Nc2ccccc21 104832258 BWZCKGAMSIGXCX-OQLLNIDSSA-N 389.824 2.013 50 40 GEGB NNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 408920510 JMVOOAXUWGZYPW-UHFFFAOYSA-N 388.276 2.174 50 40 GEGB O=C(CNC1CCCCC1)N/N=C/c1ccc(I)o1 409379412 XBRHRHZFVSDQNN-LZYBPNLTSA-N 375.210 2.257 50 40 GEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc(C)c1Cl 2789399 IOBFGALSNJVENI-KNPMLCFXSA-N 392.839 2.006 50 40 GEGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6889175 ITJSGZZCMWNEKC-GFCCVEGCSA-N 384.344 2.325 50 40 GEGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)c1 408534524 MGOIYFIJIUARRU-LKKXKRCMSA-N 398.806 2.263 50 40 GEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(O)c1 1316237 WZYRUICZPILXJH-VXLYETTFSA-N 388.428 2.110 50 40 GEGB Cc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)C(C)C)OCCO3 4170953 LALWNDMNMKBKPU-UHFFFAOYSA-N 375.450 2.210 50 40 GEGB CCOc1ccccc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839265 DSJFLHSVXDXWBP-UHFFFAOYSA-N 391.427 2.370 50 40 GEGB CCOC(=O)N1CCC(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 17157643 XQKREBHKGAYBJN-UHFFFAOYSA-N 377.485 2.219 50 40 GEGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409113467 GDWZCKYZBKFIJD-UDWIEESQSA-N 393.440 2.141 50 40 GEGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl 716361 AEYPMWZYEXSZSY-CHWSQXEVSA-N 379.825 2.137 50 40 GEGB CCOC(=O)c1csc(N(NC(=O)CCl)C(=O)NC2CCCCC2)n1 1415215 GPFPYWISWDGVGU-UHFFFAOYSA-N 388.877 2.439 50 40 GEGB C[C@@]1(C(=O)NNC(=O)c2ccc(Br)cc2)C[C@H]1Br 2300679 LIGQBXSDWRSGON-BXKDBHETSA-N 376.048 2.384 50 40 GEGB C/C(=N\NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCC3)c1cn(C)nc1C 6921395 BOLPGOYAIKPNFS-FZTAQKCPSA-N 398.492 2.090 50 40 GEGB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 8415063 YZMCMAVFOUUPIN-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB C/C(CNc1nc(N)nc(N)c1/N=N/c1ccc(Cl)cc1)=N/NC(N)=O 17920753 NCZPWXYPBYVVDZ-BMTNNFIUSA-N 376.812 2.166 50 40 GEGB C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccccc1O 19955453 HFVWLYZZFNTMMM-HMMYKYKNSA-N 389.477 2.315 50 40 GEGB O=C(COc1ccc2c(c1)CCC(=O)N2)NNC(=O)C12CC3CC(CC(C3)C1)C2 40050253 ZIMFEWXUFMXPCL-UHFFFAOYSA-N 397.475 2.314 50 40 GEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(O)c2)C(C)C)cc1 408756557 WBSRGCFAPKEHPQ-TYJAPOHBSA-N 389.477 2.154 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)cc1 409055740 ATTOPDBGFKNHEH-FMCGGJTJSA-N 387.399 2.191 50 40 GEGB O=C(N/N=C/c1ccccc1I)[C@@H](O)c1ccccc1 6340231 HOOOXKIIRXJZBF-FBJMNJBLSA-N 380.185 2.475 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 2134206 YDLLNULITIAPRX-UHFFFAOYSA-N 395.868 2.377 50 40 GEGB Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 4713817 HXFIEYUTMWTUCD-UHFFFAOYSA-N 377.400 2.313 50 40 GEGB O=C(CSc1nnc(-c2cccnc2)s1)NNC(=O)c1cccs1 4726479 MICGSXDUPVAYOB-UHFFFAOYSA-N 377.476 2.215 50 40 GEGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1O 6958747 IQQLDXVMEZIGQW-SRZZPIQSSA-N 375.812 2.211 50 40 GEGB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccco1 8238560 ROCYTLWWEFYTTA-WRQGHLQJSA-N 387.480 2.398 50 40 GEGB COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(OC)c1 102539001 ZHORBVUXVBQLHV-UPOJRHOVSA-N 396.237 2.213 50 40 GEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN(C)C(=O)c1ccco1 12740668 VNBSQDVLSFWSNA-UHFFFAOYSA-N 398.444 2.245 50 40 GEGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 12851424 LUGBFDDCQMRBIW-UHFFFAOYSA-N 390.461 2.093 50 40 GEGB CC(/C=N/NC(=O)COc1ccccc1C)=N\NC(=O)COc1ccccc1C 18140168 BCXKXYOAEHXRPC-RANSOGHASA-N 396.447 2.355 50 40 GEGB CC1(CC(=O)N/N=C/c2cccc(I)c2)OCCCO1 408719326 LGFMBFOPOXZDLM-MHWRWJLKSA-N 388.205 2.285 50 40 GEGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(F)cc1 409125856 ABLNABWOKAFHIO-UDWIEESQSA-N 381.404 2.271 50 40 GEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 4657092 RWTGFTFJRKLRHH-CABCVRRESA-N 375.425 2.077 50 40 GEGB O=C(O)CC/C(=N\NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1 4833415 IAXXNDMIDAIRSJ-BFOYSSNBSA-N 379.416 2.201 50 40 GEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC 57509134 LPNVYUPRQYXYHQ-OAHLLOKOSA-N 384.816 2.122 50 40 GEGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1OCC 409314597 LRSFWWIGMGKKCZ-UUYOSTAYSA-N 385.420 2.112 50 40 GEGB CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)N/N=C/c2ccc(O)c(O)c2)N1 4565005 RFQDOUMQXWSYBX-KFJJEBECSA-N 379.416 2.082 50 40 GEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2)cc1 6544479 HVKQLMRUGYSAGP-YBFXNURJSA-N 395.868 2.119 50 40 GEGB N#Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(F)c1 408968358 VXXDKIMDTRVADW-WSDLNYQXSA-N 397.366 2.206 50 40 GEGB C/C(=N\NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCC3)c1cn(C)nc1C 6921398 BOLPGOYAIKPNFS-SQWLXVSWSA-N 398.492 2.090 50 40 GEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccn(-c2cccc(Cl)c2)n1 57401917 VYZSRGPRDDTAJW-QGZVFWFLSA-N 398.806 2.127 50 40 GEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 408907002 FXGALLHVJXDFOQ-GKXUUXLPSA-N 383.404 2.223 50 40 GEGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 6735994 YSGVEOQJOWBJSO-FSJBWODESA-N 377.400 2.476 50 40 GEGB COc1ccccc1/C=N\NC(=O)CCCC(=O)N/N=C\c1ccccc1OC 31670048 VEFYYEFAZJNGLW-VMTNTFKOSA-N 396.447 2.475 50 40 GEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 6428379 FSDSSLBVFPYPDQ-OEAKJJBVSA-N 396.447 2.071 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1Br 664095 OFYCGOPNVKDMDG-CYBMUJFWSA-N 375.178 2.113 50 40 GEGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2C)cc1 917784 YOCCGFRDJJYFKA-UHFFFAOYSA-N 397.460 2.044 50 40 GEGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)N2 6171592 QFHWJVXBZWCJBU-UHFFFAOYSA-N 379.342 2.498 50 40 GEGB CN(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 7243083 ZKABRDUZSSNARX-UHFFFAOYSA-N 398.488 2.127 50 40 GEGB CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1 7384379 CIBOHYOKSORCAN-OAHLLOKOSA-N 392.477 2.479 50 40 GEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1C 408782609 XEMLJAQTIKYPKW-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1O 408921977 NDFKCOAFSCKJIZ-NFECSFHCSA-N 375.450 2.087 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2c(F)cccc2Cl)c1 4079644 AQCTWXLELJGDJF-LSFURLLWSA-N 393.802 2.376 50 40 GEGB C/C(NNC(=O)c1ccccc1O)=C1/C(=O)N(c2ccccc2C)C(=O)N=C1O 8994160 ODGZNUSKLHIOJW-VBKFSLOCSA-N 394.387 2.332 50 40 GEGB COc1cc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OC 36020248 HIVPRLVDSMBLLB-GIJQJNRQSA-N 375.337 2.090 50 40 GEGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 59515401 KVONALDJHUKHBG-SRZZPIQSSA-N 375.812 2.124 50 40 GEGB COc1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1 83293670 UHTYQHUJFJZVSR-NVMNQCDNSA-N 392.209 2.252 50 40 GEGB CC(C)N1C(=O)/C(=N\NC(=O)CCNC(=O)c2ccccc2)c2ccccc21 17877625 ZFKZQBBRFFHLRS-CLCOLTQESA-N 378.432 2.082 50 40 GEGB CCOc1ccccc1/C=N\NC(=O)C(=O)N/N=C/c1ccccc1OCC 31636923 VBRVTBWKICNWBW-VOKWCDJLSA-N 382.420 2.084 50 40 GEGB O=C(N/N=C/c1ccccc1O)C1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 104213926 OJZSHKAQRAXTEN-HNMXDBGKSA-N 398.532 2.393 50 40 GEGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C)c2ccccc21 2483493 ROBZFQBJNSKXNL-JOCHJYFZSA-N 391.427 2.244 50 40 GEGB Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 3388131 WQSFMVBYDANBSD-UHFFFAOYSA-N 391.221 2.376 50 40 GEGB CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 13470818 WIYJACKVBRGUOD-UHFFFAOYSA-N 399.303 2.332 50 40 GEGB CC(C)=CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 15903593 IHIOODOJQUNASI-UHFFFAOYSA-N 376.416 2.172 50 40 GEGB CC(C)CNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C 36611674 CFHKWWMPJYECIJ-UHFFFAOYSA-N 386.525 2.488 50 40 GEGB COc1ccc(N2C(=O)[C@H]3[C@@H](SC(N)=C(C#N)[C@@H]3c3ccco3)C2=O)cc1 102376178 HCRWTKWANUUJFG-BZUAXINKSA-N 381.413 2.371 50 40 GEGB O=C(N/N=C\c1cc(Br)ccc1O)[C@H]1COc2ccccc2O1 13617667 LNDFSCNHORCGQP-OADJVDCOSA-N 377.194 2.445 50 40 GEGB Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101303573 CAUNOJBFFFMJKF-LWPKIGSASA-N 393.317 2.489 50 40 GEGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1462210 GJFMOKMQZUVEMR-TVNWYLLRSA-N 396.468 2.476 50 40 GEGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2ccccn2c1=O 2204673 OKTKKFVNHTUFEV-JQIJEIRASA-N 377.448 2.284 50 40 GEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 5685239 ALMOJYQLPVXALE-GIJQJNRQSA-N 385.771 2.052 50 40 GEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 19955385 AOKPJEPDELMPRN-RGVLZGJSSA-N 377.441 2.359 50 40 GEGB COc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 22035476 ZFEQLGFGSJTZMY-HZHRSRAPSA-N 380.492 2.272 50 40 GEGB COc1cc([C@@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 27329701 XIFVIPBOUXUQRM-YLJYHZDGSA-N 389.459 2.495 50 40 GEGB Cc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(C)c1 30843697 ZCRJTNDMMSGCEL-LSCVHKIXSA-N 388.336 2.355 50 40 GEGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(F)cc1 408679988 FSWKQEIMGMOHSF-NCPBCQDQSA-N 397.196 2.123 50 40 GEGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc(I)c1 704911 HDCJZDLMBRKFNZ-LZYBPNLTSA-N 382.157 2.466 50 40 GEGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NNC(=O)c1ccccc1 16693840 UJVYORFTMNAVIU-UYRXBGFRSA-N 386.411 2.214 50 40 GEGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 17081463 HLZFONAJRRJULW-ATVHPVEESA-N 398.444 2.222 50 40 GEGB Cc1cccc(OCC(=O)N/N=C2/C(=O)Nc3cc(N4CCCC4)ccc32)c1 43918855 SEULOSLRQRLWLF-UHFFFAOYSA-N 378.432 2.447 50 40 GEGB COc1ccc([N+](=O)[O-])cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1N 101422799 BTTQSAVSTCTOKV-SRZZPIQSSA-N 385.380 2.320 50 40 GEGB COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 102627399 QOXMZEGHRJLCKD-UPOJRHOVSA-N 396.237 2.213 50 40 GEGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5567950 IMKMKPXGHCFDAO-QWRGUYRKSA-N 389.235 2.411 50 40 GEGB COc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc(OC)c1C 7738644 YSTYGTGFOKENNB-UHFFFAOYSA-N 380.404 2.477 50 40 GEGB O=C(COc1ccc(Br)cc1)NNC(=O)Cc1cccc(F)c1 8315999 NWURVFOKHBMUGS-UHFFFAOYSA-N 381.201 2.357 50 40 GEGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@@]12C(=O)Nc1ccccc12)OCO4 5388867 BWKPQGUBNXMAMC-QFIPXVFZSA-N 384.395 2.212 50 40 GEGB Cc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1C 7939975 GORZBPJFWFFZMK-UHFFFAOYSA-N 397.431 2.027 50 40 GEGB Cc1nc(-c2ccccc2)sc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 8848338 RYJDGXQGRIDZKM-CQSZACIVSA-N 379.507 2.224 50 40 GEGB O=C(CN1CCCc2ccccc21)NNC(=O)c1cncn1-c1ccccc1 12601589 IHYLMDBZOJESMS-UHFFFAOYSA-N 375.432 2.086 50 40 GEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(O)c3)s2)cc1 726390 QKWORHOAIYSMMD-RGVLZGJSSA-N 395.444 2.497 50 40 GEGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 6345697 WLVMSMAZWQGULP-DEDYPNTBSA-N 389.477 2.390 50 40 GEGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7881904 IAMJPBUDFWMFHI-ZDUSSCGKSA-N 387.823 2.163 50 40 GEGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3ccc(F)cc3)C2=O)cc1Cl 102055741 KQTMHEVSPPTKNJ-MRXNPFEDSA-N 389.814 2.283 50 40 GEGB COc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc(OC)c1O 2357569 FVYNHLPGGVOCGV-NGYBGAFCSA-N 380.198 2.331 50 40 GEGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(N)=O 8112938 IVVXFROOGKBBBK-NTUHNPAUSA-N 396.359 2.013 50 40 GEGB COc1cccc(NC(=S)NNC(=O)Cn2nc(C(F)(F)F)cc2C)c1 8684129 ITEQLMDGFTWZFJ-UHFFFAOYSA-N 387.387 2.237 50 40 GEGB COc1ccccc1NC(=S)NNC(=O)c1nn(C)c(C)c1Br 8855172 XHYINSRRAIQRCU-UHFFFAOYSA-N 398.286 2.131 50 40 GEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 408731334 LVSCJPBWEHYAJZ-GIJQJNRQSA-N 389.437 2.088 50 40 GEGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)cc3)C2=O)cc1 2224935 NTCUUPIUKUDJJA-SFHVURJKSA-N 397.431 2.051 50 40 GEGB Cc1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)cn1 3155502 YOLWYGQHYIPIMT-REZTVBANSA-N 381.173 2.464 50 40 GEGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(C)c1)S(C)(=O)=O 408787219 VAYNQVKALYJBJN-UDWIEESQSA-N 389.477 2.228 50 40 GEGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408892218 HHNIBUBYOARDFQ-UCQKPKSFSA-N 384.480 2.395 50 40 GEGB O=C(Cc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409234329 VOSPJFQSSMKRIU-FYJGNVAPSA-N 386.383 2.263 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC 2055547 UOTOSUJHUUNQAY-LNOXHEFASA-N 385.420 2.040 50 40 GEGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 2332470 QVZRVVUWAWIJLR-INIZCTEOSA-N 397.431 2.421 50 40 GEGB Cc1occc1C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1Br 14021227 HTGOVGCGAIBVIG-UHFFFAOYSA-N 395.181 2.252 50 40 GEGB COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCC(N)=O 1322086 DBMIQSGPODBCSE-FOKLQQMPSA-N 392.415 2.180 50 40 GEGB C/C(CNc1nc(N)nc(N)c1/N=N\c1ccc(Cl)cc1)=N\NC(N)=O 104083568 NCZPWXYPBYVVDZ-JOOYRVKNSA-N 376.812 2.166 50 40 GEGB O=C(O)COc1ccccc1/C=N\NC(=O)COc1cccc2cccnc12 409023488 FBVWZTMCOACMOL-JJFYIABZSA-N 379.372 2.227 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408781351 CHHXIYMOIVMDDP-UDWIEESQSA-N 389.477 2.228 50 40 GEGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 3206541 IZDSECMDVGNXFT-UBKPWBPPSA-N 376.716 2.237 50 40 GEGB Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nc2n1 680263 JOSXSHXVYMTNNN-VXLYETTFSA-N 383.481 2.050 50 40 GEGB COc1ccccc1C(=O)NNC(=O)c1cccc(I)c1 831985 NMHMARUDMUKCHH-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC 4079647 HWYGFBSSGKSDJW-FOKLQQMPSA-N 399.447 2.209 50 40 GEGB Cc1cccc(NC(=O)CSCC(=O)NNC(=O)c2cc(C)oc2C)c1 6436477 ORRJLMBABGAETP-UHFFFAOYSA-N 375.450 2.338 50 40 GEGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(Cl)c1 12687063 WSHSELFLSLSVGU-UHFFFAOYSA-N 392.662 2.064 50 40 GEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1 100572002 DHZQQQBYVYODSR-CQSZACIVSA-N 388.221 2.016 50 40 GEGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408734675 BSFOPYYJURYXRP-VXLYETTFSA-N 392.799 2.291 50 40 GEGB Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 1831774 PXSMMOXZEVXKKT-FOKLQQMPSA-N 378.432 2.430 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 2278374 UKXDZTDIEVXMQH-UHFFFAOYSA-N 393.309 2.371 50 40 GEGB biogenic CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408609776 LKBIXCWRFITWDM-KEBDBYFISA-N 390.237 2.224 50 40 GEGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)cc1OC 408786707 MQMZJYOEAZHZHJ-LDADJPATSA-N 385.486 2.008 50 40 GEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccco3)c(C)c(C#N)c2=O)cc1C 409071929 QLGJWXMTBJEIIV-JJFYIABZSA-N 375.388 2.386 50 40 GEGB COc1ccccc1-n1c(SCC(=O)NNC=O)nnc1-c1ccc(C)cc1 4930849 XUGCJPHXXIMRLC-UHFFFAOYSA-N 397.460 2.121 50 40 GEGB C[C@@H](Oc1ccccc1F)C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1 7383666 GDUXBEDCWVXLOY-SECBINFHSA-N 390.795 2.395 50 40 GEGB CCCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1CC 7604827 AMSZFVUDSBOJAH-UHFFFAOYSA-N 381.889 2.457 50 40 GEGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 8358719 JLPLVVLGRNFCCP-MRXNPFEDSA-N 381.432 2.208 50 40 GEGB CC/C(=N/OCc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1 17376305 PRWJWOMCJUXRMV-JZJYNLBNSA-N 375.450 2.287 50 40 GEGB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)c1 102627397 QOXMZEGHRJLCKD-MTIYOPRHSA-N 396.237 2.213 50 40 GEGB CNC(=O)/C(C#N)=C\c1cc(Br)c(I)o1 408952245 LSKBVXRWDPBGMM-DJWKRKHSSA-N 380.967 2.300 50 40 GEGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 4588478 CFDCPHPNSONSPY-UHFFFAOYSA-N 389.477 2.340 50 40 GEGB O=C(CNC(=O)c1cccs1)NNC(=O)CSc1ccc(Cl)cc1 6507906 QEQYBPAAMDIVOC-UHFFFAOYSA-N 383.882 2.071 50 40 GEGB O=C(NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccsc1 7273321 VQQRJRAKNQIZGQ-UHFFFAOYSA-N 390.442 2.390 50 40 GEGB COc1ccc(NCC(=O)NNC(=O)c2cccnc2SC(F)F)cc1 8710403 CTEZNFIXZCGQLB-UHFFFAOYSA-N 382.392 2.278 50 40 GEGB COc1cccc([C@@H](NC(=O)NNC(=O)c2ccccc2)c2nccn2C)c1 29730033 QCIUWGBMNKZJKU-QGZVFWFLSA-N 379.420 2.162 50 40 GEGB O=C(N/N=C/c1ccc(I)cc1)[C@@H](O)c1ccccc1 59502291 KLLARMCUPONECO-FBJMNJBLSA-N 380.185 2.475 50 40 GEGB NNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 223466826 NDJXDJOSZVUFEM-UHFFFAOYSA-N 388.276 2.174 50 40 GEGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 408598865 KOQQCJXFFKLXBN-SRZZPIQSSA-N 379.376 2.189 50 40 GEGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)Nc3ccccc3)C(=O)NC2=S)cc1 408763836 PCNKTOPDKVVBGG-PZUDMAOCSA-N 395.444 2.166 50 40 GEGB CNC(=O)/C(C#N)=C\c1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 409213008 SZWVDOSRDBLJFT-BOPFTXTBSA-N 377.400 2.444 50 40 GEGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(N)=O 3573671 XGBBYFLRVUZXNN-UFFVCSGVSA-N 375.812 2.367 50 40 GEGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 15877197 PTMLEHVYJBFUEW-GFCCVEGCSA-N 385.445 2.268 50 40 GEGB N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NC1CCCCC1 20572406 JTVBGXDKAXHWPP-SDXDJHTJSA-N 396.491 2.389 50 40 GEGB CCOc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1O 408972504 CZFQAHNCXPERQS-ORWNMUSCSA-N 381.432 2.257 50 40 GEGB Nc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1 409193269 IKKXREANFGOLOJ-UFWORHAWSA-N 383.393 2.210 50 40 GEGB Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 4179773 ZXMQJAKDGXJMSE-FYJGNVAPSA-N 398.419 2.269 50 40 GEGB CCCn1c(O)c(C(=O)NNC(=O)Cc2ccccc2)c(=O)c2ccccc21 5408332 IDCBRPFYOZXUSU-UHFFFAOYSA-N 379.416 2.121 50 40 GEGB COc1ccc(NNC(=O)C(=N)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 6167097 YUQWGQPTXRKMRY-UHFFFAOYSA-N 394.435 2.025 50 40 GEGB Cc1ccc2nc(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 12462618 GXTAQQPPTNTBRE-UHFFFAOYSA-N 385.405 2.333 50 40 GEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br 59435824 HTSVZXPFYYJMFN-RQZCQDPDSA-N 391.181 2.446 50 40 GEGB NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 59942126 NJMXEVMYHFLCAL-UHFFFAOYSA-N 388.276 2.174 50 40 GEGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(Oc2ccccc2)cc1 7818547 GSKLPIFTFLOSME-AWEZNQCLSA-N 388.445 2.065 50 40 GEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21 12920980 IZQZFUPHTOMFPL-INIZCTEOSA-N 388.807 2.476 50 40 GEGB Cc1ccc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 33154995 WWTCEVHRGCAPRO-FBHDLOMBSA-N 375.392 2.127 50 40 GEGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(Br)cc1 100250678 YFNPRWZVZFBBMG-CYBMUJFWSA-N 375.178 2.113 50 40 GEGB biogenic,in-vitro COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 101513603 XHZKHEOAGRLGIF-LPYMAVHISA-N 383.404 2.487 50 40 GEGB COc1cc(Br)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1O 408826993 UKRXEPYZSSUCRG-HQIZRNBFSA-N 381.226 2.365 50 40 GEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(O)cc1 1308182 KTWYWLROSAXBPX-YBFXNURJSA-N 381.417 2.189 50 40 GEGB CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2cc(F)ccc21 13629009 PCNKZENKECKYPH-OAQYLSRUSA-N 389.342 2.281 50 40 GEGB CCOCCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc2c1=O 104722080 KXUNQKDTMALAKO-SQFISAMPSA-N 386.477 2.241 50 40 GEGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1cccnc1 226337662 NUTKLLWQOKKOKC-SNAWJCMRSA-N 378.226 2.435 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408616356 XWZXJKTZINSCRS-ZDUSSCGKSA-N 387.823 2.163 50 40 GEGB COc1cc(/C=N/NC(=O)CCNC(=O)c2ccccc2Cl)ccc1O 2675812 UYOUHVMQTAGYJK-SRZZPIQSSA-N 375.812 2.324 50 40 GEGB CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 5007932 MXXORGANZMHKNE-FLIBITNWSA-N 379.825 2.064 50 40 GEGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 409232385 ONZROBCGLQGUTC-YHYXMXQVSA-N 382.214 2.348 50 40 GEGB O=C(N/N=C/c1ccc(O)c(I)c1)[C@@H](O)c1ccccc1 3153009 XCRHOPYJGGWZEW-VEJKBTLKSA-N 396.184 2.181 50 40 GEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)C)=C1C 4517041 GSETVCKZBFQUDV-OAQYLSRUSA-N 379.416 2.264 50 40 GEGB CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 6544459 RFQKWMIIIGNPTE-LDADJPATSA-N 377.491 2.179 50 40 GEGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 8303367 RNHLQGMOEGWESJ-DOMZBBRYSA-N 394.541 2.353 50 40 GEGB CCOc1ccccc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 12911058 QTLSDAQYGDTPIX-UHFFFAOYSA-N 394.431 2.451 50 40 GEGB O=C(NN/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=S)N=C1O)c1ccccc1 17208040 ZQHWZXUMZQVFQZ-GDNBJRDFSA-N 398.419 2.228 50 40 GEGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCOC)cc1OC 408809979 JRWNFBSXDIJWJW-MDWZMJQESA-N 393.237 2.139 50 40 GEGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1)S(C)(=O)=O 20208968 GNSXOYYTTQQBFB-DEDYPNTBSA-N 389.477 2.174 50 40 GEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OC(F)(F)F)cc1 3370674 INENUFFAOABNPB-AWEZNQCLSA-N 382.294 2.186 50 40 GEGB CC1=CC(=O)[C@H](Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 4167636 MDZPVUVVDJNNRT-FNZKRBGKSA-N 377.205 2.468 50 40 GEGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](c2ccncc2)N2CCOCC2)cc1 20057715 NMEXDNPSUUZKBV-OHQZHEALSA-N 395.507 2.451 50 40 GEGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(N2CCOCC2)o1 409019672 KCXJDTIGINDPLH-LPYMAVHISA-N 380.404 2.194 50 40 GEGB C=CCc1ccccc1OCC(=O)NNC(=O)c1cc2ccccc2oc1=O 994376 IUOCDZRFAJCQRX-UHFFFAOYSA-N 378.384 2.362 50 40 GEGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc(Br)cs1 4721563 BCUCECYVDWNAFC-SZSGCKGGSA-N 392.278 2.491 50 40 GEGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 409128005 IFMMSZKBSUUQPM-XSFVSMFZSA-N 377.441 2.441 50 40 GEGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575423000 NHCPXQWMONBNPX-JKSUJKDBSA-N 391.942 2.417 50 40 GEGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CSc1ccccc1 5930892 LSGQXGIDLLZCLA-UHFFFAOYSA-N 398.532 2.138 50 40 GEGB CCOc1ccccc1OCC(=O)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21 7735675 OSCRKWZCCDXHGE-UHFFFAOYSA-N 384.348 2.494 50 40 GEGB Cc1ccc(OCC(=O)NNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 11404594 GPRKYVOAQISWHU-IBGZPJMESA-N 389.496 2.242 50 40 GEGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc2sc3ccccc3c2s1 16786299 PUUCLJJPPGHHFN-VIFPVBQESA-N 394.499 2.312 50 40 GEGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)n[nH]1 57476904 BBJJVIHJYSLYPW-GIJQJNRQSA-N 396.319 2.363 50 40 GEGB CC(C)CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O 3393202 PGMUABQCGMIAFX-UHFFFAOYSA-N 379.416 2.404 50 40 GEGB CSc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 3536396 MOUOIWXDDPIFEX-UHFFFAOYSA-N 379.825 2.075 50 40 GEGB O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(Cl)cc1 15632219 RQCHOAYFDPMABT-UHFFFAOYSA-N 382.807 2.071 50 40 GEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2)cc1Cl 35329833 OYKSWXRVRQQLHQ-ODLFYWEKSA-N 395.868 2.119 50 40 GEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408780623 GNVVTKKHDCPEHB-UDWIEESQSA-N 389.477 2.228 50 40 GEGB CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408531034 KFUJZFIDHXWXBG-LBPRGKRZSA-N 385.218 2.143 50 40 GEGB O=C(N/N=C/c1ccc(I)o1)c1ccc2c(c1)OCO2 827334 DCMQDDOUAKCSQU-GIDUJCDVSA-N 384.129 2.377 50 40 GEGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C\c1ccc([N+](=O)[O-])cc1 100058029 UMZMAGRYAMQBNA-NVMNQCDNSA-N 385.771 2.052 50 40 GEGB N#C[C@@H](Nc1c(N)nc(N)nc1N)c1ccc(N(CCCl)CCCl)cc1 6565588 RVWNHCKMDYDIPJ-GFCCVEGCSA-N 395.298 2.184 50 40 GEGB CC(=O)Nc1ccc(C(=O)N/N=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 33679741 UPQDMTSDYHGXKQ-UMUMUWHJSA-N 377.404 2.400 50 40 GEGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408609534 KDQYRSKFOHXARJ-LSFURLLWSA-N 393.802 2.263 50 40 GEGB O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21)C1CC1 3276307 VPEXSWYMHICUNB-GDNBJRDFSA-N 382.807 2.294 50 40 GEGB Cc1ccsc1/C=N/NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N 8873296 KUHBTVFYONIFFE-DJKKODMXSA-N 394.420 2.033 50 40 GEGB COc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1Br 12521873 OFHMPFPECWYSQL-UHFFFAOYSA-N 378.226 2.331 50 40 GEGB CC1=NOC(=O)[C@@]12C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c1cccc(Br)c1 20840340 ZDUOLTXCQZABQO-GUYCJALGSA-N 396.204 2.235 50 40 GEGB O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 3211568 OSFKQIQJEMLNAY-GIJQJNRQSA-N 390.193 2.236 50 40 GEGB CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)CN3CCOCC3)c2c1 19681702 HWPUQEWAYHHWSV-HYARGMPZSA-N 385.464 2.420 50 40 GEGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 39986600 GNVRAGQUGZRWOB-MOSHPQCFSA-N 389.477 2.165 50 40 GEGB CCOC(=O)c1ccc([C@H]2C(C#N)=C(N)OC(CCl)=C2C(=O)OC)cc1 1070160 IXPOSLUBHJCFJO-AWEZNQCLSA-N 376.796 2.337 50 40 GEGB COc1cccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)c1OC 2426376 BZIJMYYKUMVJGR-QGMBQPNBSA-N 395.257 2.430 50 40 GEGB O=C(N/N=C/c1cc(I)ccc1O)[C@H](O)c1ccccc1 3153019 FPZIDHCWEWGUQS-IREQLNLFSA-N 396.184 2.181 50 40 GEGB O=C(COC(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1 3398451 GZFIPFABYFCNFD-UHFFFAOYSA-N 377.194 2.067 50 40 GEGB O=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408971505 GSWUIJZEMZFNRR-XDHOZWIPSA-N 395.481 2.438 50 40 GEGB Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)Nc1ccc(F)cc1 8580251 KVEPFSXEBKZUAV-UHFFFAOYSA-N 375.351 2.367 50 40 GEGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2C)c1 13011650 GIVCBTGIDOKHNI-UHFFFAOYSA-N 379.376 2.472 50 40 GEGB Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(C)s1 24704355 DWWGZGZGTKJNDQ-UHFFFAOYSA-N 380.495 2.041 50 40 GEGB COc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 2661054 RSVKUUWKVDDYQQ-LBPRGKRZSA-N 378.812 2.342 50 40 GEGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 6647959 PSBKGPQGBKXQIF-OEAKJJBVSA-N 396.447 2.071 50 40 GEGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(Cl)cc1Cl 25764023 BLMAYNPJAANZIY-NGYBGAFCSA-N 395.210 2.002 50 40 GEGB Cc1cc(C)n2ncc(C(=O)NNC(=O)c3cc(-c4ccccc4)on3)c2n1 32467356 PDZQNCXOJIRBPS-UHFFFAOYSA-N 376.376 2.076 50 40 GEGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409062812 BFQNNGPSTPVKCC-QPEQYQDCSA-N 396.359 2.013 50 40 GEGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1Br 4657093 CAJMHYNTBJZMPP-MNOVXSKESA-N 399.241 2.110 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1OC 4702993 SKOFKKWWQWHCRJ-FYJGNVAPSA-N 383.404 2.357 50 40 GEGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1O 19954302 YVFXDYSMNGUUBM-XDHOZWIPSA-N 395.868 2.352 50 40 GEGB COc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(O)=NC2=S)cc1 38170403 UEINJSUQZHBNAW-PTNGSMBKSA-N 396.428 2.102 50 40 GEGB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNCc1cc(F)ccc1F 84752880 JPGRSQIHDMZZPQ-LJQANCHMSA-N 386.402 2.314 50 40 GEGB O=C(CCC(=O)NC1C2CC3CC(C2)CC1C3)NNC(=O)c1ccc(F)cc1 199413849 FDIPCPAALUWBTL-UHFFFAOYSA-N 387.455 2.308 50 40 GEGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409113487 BBEOLWXFRHWDFB-XSFVSMFZSA-N 387.461 2.411 50 40 GEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC)cc2)cc1 5718600 OMEHPRYXXNWQQL-FYJGNVAPSA-N 383.404 2.351 50 40 GEGB O=C(CSc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(Cl)cc1 6506991 OKJCELRYCXDSTO-UHFFFAOYSA-N 388.836 2.130 50 40 GEGB CCOC(=O)c1c(C)[nH]c(C(=O)NNc2nc3ccccc3c(=O)n2CC)c1C 11158270 RZQBOOOFFMFPKU-UHFFFAOYSA-N 397.435 2.295 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 20208369 HZYCKXUKDROOPK-UDWIEESQSA-N 389.477 2.228 50 40 GEGB NN1C(=O)[C@@]23CCCC[C@]2(C[C@@H](Br)[C@H](Br)C3)C1=O 104285266 DKZTZBGKIVQFPX-FUAUIPCOSA-N 380.080 2.097 50 40 GEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1Br 408775540 UIAGLPKWMCQPDZ-SDQBBNPISA-N 381.226 2.432 50 40 GEGB CC(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 11678367 SQZNFJIIPBMNQX-UHFFFAOYSA-N 393.440 2.434 50 40 GEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(OC)cc3)CC2=O)c1 12778958 BQVUTUAZPBURHN-INIZCTEOSA-N 381.432 2.072 50 40 GEGB COc1cccc([C@H](NC(=O)NNC(=O)c2ccccc2)c2nccn2C)c1 29730034 QCIUWGBMNKZJKU-KRWDZBQOSA-N 379.420 2.162 50 40 GEGB O=C(N/N=C\c1ccc(O)c(I)c1)c1cccc(O)c1 408961792 FDJXAODWFSZNKY-PXNMLYILSA-N 382.157 2.466 50 40 GEGB COc1cccc(C(=O)NNC(=O)c2ccccc2I)c1 722486 SIZQQRMWKFRVCF-UHFFFAOYSA-N 396.184 2.375 50 40 GEGB Cc1nc(C)c(C(=O)N/N=C/c2ccco2)cc1C(=O)N/N=C/c1ccco1 844934 CSOHXXTXSVAEKM-CLVAPQHMSA-N 379.376 2.412 50 40 GEGB COc1cc([C@H]2C(C#N)=C(N)N3C(=O)[C@H](C)SC3=C2C#N)cc(OC)c1OC 2420743 STNOTWZSJFZBCD-VFZGTOFNSA-N 398.444 2.203 50 40 GEGB O=C(N/N=C/c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408971890 LMVNQDGIGKCEGM-KGENOOAVSA-N 389.452 2.377 50 40 GEGB C/C(=N\NC(=O)c1cc(Br)ccc1O)c1c(O)cc(C)oc1=O 5200518 RRVJIWLCNKPDAC-CAOOACKPSA-N 381.182 2.276 50 40 GEGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(OC)c1OC 3072717 VOBMDMXTMVPUOY-SRZZPIQSSA-N 385.420 2.418 50 40 GEGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(C)c1 33366730 SDOUIQHTLYVBRW-NDENLUEZSA-N 389.477 2.083 50 40 GEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 100714488 SDZHKSZUQXKKKM-OAHLLOKOSA-N 375.475 2.392 50 40 GEGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 409197777 OSDAJJWUDIHJJJ-IUYQLWOBSA-N 381.432 2.407 50 40 GEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409246097 DURALLCRPWDRGM-BKUYFWCQSA-N 386.383 2.263 50 40 GEGB COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(Cl)c(F)c1)C(F)(F)F 2769551 LUJYDMVOZOROBZ-KWQFWETISA-N 378.105 2.491 50 40 GEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 4199292 USRAPKXTUKKXJW-OEAKJJBVSA-N 381.432 2.417 50 40 GEGB O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc(F)c1 4700450 HJMVTTMHBBJWBB-UHFFFAOYSA-N 387.455 2.452 50 40 GEGB O=C(CCOc1ccccc1)NNC(=O)COc1ccc(Br)cc1 5604065 LJPJQEHNHWHQHG-UHFFFAOYSA-N 393.237 2.444 50 40 GEGB COc1ccccc1NCC(=O)NNC(=O)COc1ccc(F)cc1Cl 8707072 XENJWKPMAWILQD-UHFFFAOYSA-N 381.791 2.126 50 40 GEGB CCN(NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccc(C)cc1 11355293 CXWNKBSCJKRNOL-UHFFFAOYSA-N 375.494 2.393 50 40 GEGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 20208183 ADAMHZYJKFXTEI-UDWIEESQSA-N 389.477 2.228 50 40 GEGB Cn1nc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)ccc1=O 23154930 LUOUCQJOXYAOCV-GFCCVEGCSA-N 388.493 2.068 50 40 GEGB COc1ccc(/C=N\NC(=O)c2cccnc2)cc1Cn1cc([N+](=O)[O-])cn1 33333661 HQCALEZGEKELGU-ZBKNUEDVSA-N 380.364 2.007 50 40 GEGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 36020524 GUAOIBNQJYIVQB-QGMBQPNBSA-N 379.756 2.492 50 40 GEGB COc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)C(=O)NC(=O)Cc1ccccc1 100296434 ITFMFMPVWXKJTO-WYMLVPIESA-N 380.360 2.308 50 40 GEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)COc1ccccc1 100522816 NXFHIXQPXWMUAT-HYARGMPZSA-N 383.404 2.358 50 40 GEGB COc1cc(Br)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1O 408827002 UKRXEPYZSSUCRG-KKNAONHISA-N 381.226 2.365 50 40 GEGB Cn1cc(I)c(C(=O)N/N=C/c2ccc(Cl)cc2)n1 787525 BEXHNEXCHXMHRT-GIDUJCDVSA-N 388.596 2.442 50 40 GEGB O=C(CCCCC(=O)N/N=C/c1cccc(O)c1)N/N=C/c1cccc(O)c1 2691764 FENXYARLMRIBSG-JFMUQQRKSA-N 382.420 2.259 50 40 GEGB IC[C@@H]1CSC[C@H](CI)O1 4722377 YWQVHJJYYCHWNQ-OLQVQODUSA-N 384.020 2.357 50 40 GEGB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)c1cccs1 6788130 RWDZUKQZKMSGDE-CQSZACIVSA-N 391.518 2.369 50 40 GEGB O=C(CNC(=O)NCc1ccccc1)NNC(=O)c1cc(Cl)ccc1Cl 18098276 WRBXITBMLZKPNI-UHFFFAOYSA-N 395.246 2.254 50 40 GEGB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNc1c(F)c(F)cc(F)c1F 102403720 LWXCZNMITJCELJ-IUCAKERBSA-N 385.317 2.027 50 40 GEGB Cc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 408979139 OYSIZWCOZHOICZ-DJKKODMXSA-N 399.798 2.360 50 40 GEGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1OCC 409324586 TZIOEVYVJFPULG-UUYOSTAYSA-N 385.420 2.112 50 40 GEGB C/C(Cl)=C/Cn1c(SCCBr)nc2c1c(=O)[nH]c(=O)n2C 4714215 UCKCKCHYHIIYKQ-CLTKARDFSA-N 393.694 2.053 50 40 GEGB CC(=O)NNC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 4848146 JDKILVIYHXYSNB-UHFFFAOYSA-N 392.510 2.339 50 40 GEGB Cc1ccc(SCC(=O)NNC(=O)c2cccc(C[S@@](C)=O)c2)cc1 16482877 PXTJTEMCOUZQHM-VWLOTQADSA-N 376.503 2.427 50 40 GEGB N#CC1=C(N)NC(S)=C(C#N)[C@@H]1c1ccccc1I 27026680 GKKVFLJJHPKXDF-LLVKDONJSA-N 380.214 2.337 50 40 GEGB COCCCNC(=O)C/C(C)=N/NC(=O)COc1ccc(C(C)(C)C)cc1 100375617 VOOGESHMZWIIBB-PXLXIMEGSA-N 377.485 2.398 50 40 GEGB Cc1ccc(C(=O)NN[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1 35682780 XDVXXMWUVPDGPK-KRWDZBQOSA-N 382.464 2.272 50 40 GEGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc(NC(=O)CCCC(=O)O)cc1 4507164 PYWSIAVXNLNWDK-HMAPJEAMSA-N 384.436 2.301 50 40 GEGB COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(Br)c1OC 6218725 ISKXOZLMWDJEOI-CAOOACKPSA-N 381.230 2.122 50 40 GEGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c(C)c1 9115180 ZUOWKQZOCMRYEN-UHFFFAOYSA-N 384.461 2.421 50 40 GEGB COc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S 32939976 RMSJXAQYUUYZBP-QBFSEMIESA-N 396.428 2.102 50 40 GEGB O=C(NNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)C1CCCC1 585138342 GNCOLXSESOOHSG-UHFFFAOYSA-N 391.276 2.099 50 40 GEGB