smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1O 83592 GJTJKBMFXTUIRR-CAOOACKPSA-N 346.412 2.050 50 50 EEGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(C(F)(F)F)ccc21 216683657 ZCDHMTGOQPAIPQ-UHFFFAOYSA-N 329.083 2.123 50 50 EEGA in-vitro O=C(CCCCl)NC(=S)Nc1ccccc1N1CCOCC1 2029114 STJFWJQRRTWQBP-UHFFFAOYSA-N 341.864 2.355 50 50 EEGA CC(=O)N1CCC(N(Cc2cncs2)C(=O)[C@@H](C)Cl)CC1 1875377861 PKISZAMGGIOZTA-SNVBAGLBSA-N 329.853 2.110 50 50 EEGA C#CCCC1(CCC(=O)NNc2ccc(C(=O)OC)cc2OC)N=N1 2325817450 AOUCEOIIZBEVNS-UHFFFAOYSA-N 344.371 2.281 50 50 EEGA CN1CCC(=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 55433531 ABCQIDSKKGKKJM-UHFFFAOYSA-N 343.214 2.130 50 50 EEGA COc1ccc(CC(=O)NNC(=O)c2ccccc2Cl)cc1OC 435987 KXTFEWQBRAYMHU-UHFFFAOYSA-N 348.786 2.361 50 50 EEGA COc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4730174 WPEOSHQNWZGDCB-MSOLQXFVSA-N 345.406 2.050 50 50 EEGA COc1ccccc1NC(=O)NC1CCN(C(=O)[C@H](C)Cl)CC1 1875364864 WNXJBBYIQDTNHE-NSHDSACASA-N 339.823 2.435 50 50 EEGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 63756 YUXWDOBKKUPOIX-UHFFFAOYSA-N 349.730 2.088 50 50 EEGA Cc1cc(O)c2c(n1)SCC(C(=O)N/N=C/c1ccccc1O)=N2 110188491 YQVUAFCMXWJEMC-REZTVBANSA-N 342.380 2.130 50 50 EEGA C#CCCCC(=O)NNc1cc(C(=O)OC)ccc1Br 293938566 HXTDWRLUEQKEMX-UHFFFAOYSA-N 339.189 2.482 50 50 EEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 2141248 FTOQSGQCSXHBAD-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA O=C1c2ccccc2C(=O)N1O[C@H](Br)CBr 335186 MSTHIBJEYYMCLI-QMMMGPOBSA-N 348.978 2.330 50 50 EEGA C[C@H](Cl)C(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 1875366392 GXNOMLOLCWNNHH-NEPJUHHUSA-N 344.864 2.058 50 50 EEGA CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CCl 1875374875 ICYGYWLSTRAXEJ-AWEZNQCLSA-N 335.835 2.465 50 50 EEGA COC(=O)c1c(NS(=O)(=O)CCCCl)c2ccccc2n1C 1776006326 UWBVRAGIQHXNDQ-UHFFFAOYSA-N 344.820 2.336 50 50 EEGA CNC(=S)N(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 496976126 FNHJNGSAQVADRI-UHFFFAOYSA-N 338.433 2.115 50 50 EEGA O=C(Cn1nnc2ccccc21)NN=Cc1c(F)cccc1Cl 252320653 IWOSIRNGRZJSQZ-UHFFFAOYSA-N 331.738 2.374 50 50 EEGA CN1C(=O)C[C@H](P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O 67861 BHSXVPZFIWAEKX-KRWDZBQOSA-N 342.335 2.241 50 50 EEGA CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC 63155 OJBRATZILNJMRG-UHFFFAOYSA-N 328.397 2.312 50 50 EEGA O=C(CCl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1341509918 SAKZRARJCTXRRV-LLVKDONJSA-N 332.734 2.138 50 50 EEGA COc1cc(C(=O)N/N=C/c2ccccc2O)cc(OC)c1OC 59529 MXCZEARBWRAHMD-VCHYOVAHSA-N 330.340 2.182 50 50 EEGA Cc1nn(C)c(NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1C#N 1875345377 YRAGXQTXEPWVOM-UWVGGRQHSA-N 329.326 2.412 50 50 EEGA O=C(N/N=C/c1ccncc1)C(O)(c1ccccc1)c1ccccc1 115047 BNWRISGOIDZJCJ-PXLXIMEGSA-N 331.375 2.468 50 50 EEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(OC)c1 500712 XAQZIUMSZCVVBP-HNNXBMFYSA-N 340.335 2.184 50 50 EEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc2c(c1)OCO2 4229128 XLLYPWSUZODRJN-DJKKODMXSA-N 335.319 2.021 50 50 EEGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 245226543 AZTKVTYXXONLGD-KNQUQLGCSA-N 330.384 2.426 50 50 EEGA CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1O 135117 NXDSDFCIDRSHMV-OXNWSPOFSA-N 342.351 2.081 50 50 EEGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)cc1 5072946 MHJQAHHJZBSOQZ-GFCCVEGCSA-N 326.381 2.018 50 50 EEGA COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1OC 299522 MJVFJNPWEPDBPK-UHFFFAOYSA-N 334.759 2.432 50 50 EEGA Cc1nn(C)c(NNC(=O)c2ccnc(NC3CCCC3)c2)c1C#N 1875349632 GCVYSPICEPDTIM-UHFFFAOYSA-N 339.403 2.107 50 50 EEGA O=C(COc1ccccc1Cl)N/N=C1\C(=O)Nc2ccccc21 8181850 XCWHFOHVKVHJIU-UHFFFAOYSA-N 329.743 2.191 50 50 EEGA O=C(Cn1nnc2ccccc21)N/N=C\c1c(F)cccc1Cl 15658656 IWOSIRNGRZJSQZ-LSCVHKIXSA-N 331.738 2.374 50 50 EEGA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(F)c(B(O)O)c1 169744251 NRCZOQMPVBOVGS-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA O=C(N/N=C/c1ccc(OC(=O)C2CC2)cc1)c1cc(O)cc(O)c1 13321965 HULCKBHPOUZUDR-VXLYETTFSA-N 340.335 2.177 50 50 EEGA CC(=O)OC[C@@]12O[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]2O 257355341 AHRUARRIPBIMIK-HBXGPHBESA-N 330.497 2.478 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1OC 12343185 VWWWSLRVUVWFIW-VCHYOVAHSA-N 328.372 2.458 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 2903611 VQGNYBMRQYOWFC-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 4596684 GBJWELCHONOIGQ-DZPCYCAQSA-N 325.324 2.444 50 50 EEGA Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=S)Nc2cn(C)nc2C)cc1 2794643 JIGSCIPDGCYFJB-ZIAGYGMSSA-N 343.456 2.158 50 50 EEGA CCOC(=O)Cn1c([C@@H](C)Br)nc2ccccc2c1=O 4110008 MBZPVKNMYCDRNI-SECBINFHSA-N 339.189 2.416 50 50 EEGA O=C(N/N=C/c1cc(O)c(O)cc1O)c1cc2ccccc2cc1O 86002989 UAXHPUSKEWEOAP-DJKKODMXSA-N 338.319 2.426 50 50 EEGA in-vitro CNC(=S)NNC(=O)c1sccc1OCc1ccc(C)cc1 8773008 ZISZGSDLAXWZND-UHFFFAOYSA-N 335.454 2.374 50 50 EEGA CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCN2C(=O)CN=C2O)C1 328599672 SUSLZTFZBJZPBN-ZDUSSCGKSA-N 341.528 2.229 50 50 EEGA Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2F)c(C)c1 15934222 XWIGWAGHRJZIGO-UHFFFAOYSA-N 337.376 2.458 50 50 EEGA CC(=O)NC1(NC(C)=O)[C@H]2C[C@H]([C@H]1Br)C(C)(C)[C@H]2C 254620347 PZUFEEFEZRVVMO-CWPPHPDTSA-N 331.254 2.030 50 50 EEGA CC(=O)O[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238370 MALAWQUOUSCHNB-AXMZGBSTSA-N 325.636 2.381 50 50 EEGA CCOc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 291085 WOBPXKPSOQBYNR-MWJIIQFGSA-N 342.351 2.081 50 50 EEGA CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(C(=O)[C@H](C)Cl)C1 1875364090 CUUYFTUBQSSGRB-WCQYABFASA-N 341.839 2.375 50 50 EEGA Cc1cc(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)no1 621359 IZXWYEFHGOQTAF-UHFFFAOYSA-N 328.250 2.468 50 50 EEGA Cc1sc2nc(C)n(NC(=O)CCBr)c(=O)c2c1C 2026554 XZWLGLYFDBQZRF-UHFFFAOYSA-N 344.234 2.238 50 50 EEGA COc1cc(/C=N\NC(=O)c2c(C)nc3sccn23)ccc1O 32593045 QVRJJJYOIVRRJQ-PXNMLYILSA-N 330.369 2.182 50 50 EEGA O=C(CSCc1ccccc1Cl)NNC(=O)c1cccnc1 2868741 AOXDQVUTLOIWIZ-UHFFFAOYSA-N 335.816 2.429 50 50 EEGA COC(=O)N[C@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 3121695 LGQCFIMPAAQOQD-JTQLQIEISA-N 326.201 2.255 50 50 EEGA O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1 3958691 OEPGHYCERYKRCR-UHFFFAOYSA-N 349.184 2.289 50 50 EEGA C[C@@H](Oc1ccccc1)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 17071801 DYRFLYWCMMVOPN-LLVKDONJSA-N 344.327 2.215 50 50 EEGA Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=S)NC2CC2)c1 609641 ZIRUTMVGMASBHL-SECBINFHSA-N 327.837 2.073 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 252500856 TWQOKNKDTFBDPK-LDADJPATSA-N 326.356 2.354 50 50 EEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)[nH]n1 35338767 ZSUFLFVCLUXISK-LZYBPNLTSA-N 331.332 2.085 50 50 EEGA Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)N/N=C/c1ccccc1 5322366 PYCUROLSVNSUKM-FYJGNVAPSA-N 346.390 2.438 50 50 EEGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1 1050956 DIHZKRBQLXMJPE-UHFFFAOYSA-N 331.397 2.417 50 50 EEGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1[N+](=O)[O-] 580880 FUPAISBHGCNPHO-UHFFFAOYSA-N 349.730 2.088 50 50 EEGA CN(C)c1cccc(OCC(=O)NNC(=S)Nc2ccccc2)c1 53161 CAWPPSGMRHAEQT-UHFFFAOYSA-N 344.440 2.149 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1O 4259561 URYDMVXSZZQHCS-GIJQJNRQSA-N 347.758 2.143 50 50 EEGA N#CC1=C(N)Oc2ncnc(O)c2[C@@H]1c1ccccc1C(F)(F)F 12375465 XBYWEJGUGFZMSD-SNVBAGLBSA-N 334.257 2.419 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 2566448 FHXBYHOIWOSXNO-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Cl)ccc1O 58843 ILPDEFYULDMIFR-CAOOACKPSA-N 349.730 2.483 50 50 EEGA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(B(O)O)c1 169744159 WIQBHNUXBHVIQW-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA C[C@H](Cl)C(=O)N1CCN(c2cc(-c3ccccc3F)[nH]n2)CC1 1875377488 FPVMSRFEQCPWNW-NSHDSACASA-N 336.798 2.492 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c(OC)c1 2903513 FGOTZRALRNVBJY-YBFXNURJSA-N 341.367 2.101 50 50 EEGA COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCBr 4782838 VIIXBOIXLOOVQC-UHFFFAOYSA-N 334.122 2.465 50 50 EEGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 2892408 WSRIKXSIVMYOQH-RQZCQDPDSA-N 328.199 2.456 50 50 EEGA CCOC(=O)Cn1c([C@H](C)Br)nc2ccccc2c1=O 4110009 MBZPVKNMYCDRNI-VIFPVBQESA-N 339.189 2.416 50 50 EEGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc([N+](=O)[O-])c1 3071752 XCAVEILMGDLREY-CXUHLZMHSA-N 344.283 2.032 50 50 EEGA O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(B(O)O)c1 169744020 SGQGAHDHVCIEAK-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA C=Cc1ccc(CNCCNCCC[Si](OC)(OC)OC)cc1 170155817 ZVVYXQFZOLGBKC-UHFFFAOYSA-N 338.524 2.277 50 50 EEGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1coc2ccccc2c1=O 2530444 QHLCCNJHOCZEIL-KEBDBYFISA-N 349.346 2.190 50 50 EEGA C[C@H](Cl)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 1875377480 FKDOIRIFIBJRJA-BPNCWPANSA-N 331.243 2.455 50 50 EEGA CN(C)c1cccc(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 17071644 DDKVGXGQZXYDCG-UHFFFAOYSA-N 343.343 2.127 50 50 EEGA O=C(Nc1cccc(Cl)c1Cl)c1ccc(F)c(B(O)O)c1 169744044 DXIXZCWZXMSCOM-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA COc1cc(N/C=C2\CC(=O)NC(C)=C2C#N)cc(OC)c1OC 4051987 BAGOULQZYKWFAB-PKNBQFBNSA-N 329.356 2.326 50 50 EEGA O=C(NNC(=S)NC[C@H]1CCCO1)c1csc2ccccc12 17070654 VFCSSDOTVPGJQV-SNVBAGLBSA-N 335.454 2.189 50 50 EEGA NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 1069041 DYLJRFMJGREFJR-ONGXEEELSA-N 343.284 2.286 50 50 EEGA O=C(CNC(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 1754374 VIHKVVAFUZTSCK-WSDLNYQXSA-N 347.374 2.426 50 50 EEGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(N)cc1 179343 NHYGYWCDHPIKEV-UDWIEESQSA-N 329.429 2.308 50 50 EEGA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)OC2=O 100758970 WQTDGTYLBLMXCR-UHFFFAOYSA-N 342.263 2.166 50 50 EEGA CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)CCl)C1 1331707869 WXMBLOAFFUXDKT-SECBINFHSA-N 326.771 2.234 50 50 EEGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2887653 BPTUTPSJYAAHEL-GFCCVEGCSA-N 343.339 2.132 50 50 EEGA COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2cccs2)cc1 2910085 STOLLFHCGOLRCP-MUOOZZNISA-N 331.397 2.084 50 50 EEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1Cl 4259864 YRXXSDKAHXEUPJ-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA O=C(CCCCl)NC(=S)Nc1ccc(N2CCOCC2)cc1 2029116 RUQLEVSQAXYZJC-UHFFFAOYSA-N 341.864 2.355 50 50 EEGA O=C(Cn1c(=O)cnc2ccccc21)NNc1cccc2c1CCCC2 120432317 MPCAQBRRFKXYLZ-UHFFFAOYSA-N 348.406 2.419 50 50 EEGA COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1OC 436143 FFYFTDUTHJQACH-UHFFFAOYSA-N 348.786 2.361 50 50 EEGA C=CCNC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 3086074 CYFGZMJXEKIAHW-UDWIEESQSA-N 338.367 2.464 50 50 EEGA Cc1cccc(NC(=S)NNC(=O)c2ccc(O)cc2O)c1C 13544961 LIOCDDRFPIFJIS-UHFFFAOYSA-N 331.397 2.346 50 50 EEGA C[C@@H](Cl)C(=O)N1C[C@@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1 1875366957 KDXDCKQRVVTXNA-GDLVEWKHSA-N 347.806 2.034 50 50 EEGA O=C(NCCSSCCNC(=O)c1ccco1)c1ccco1 2372164 RPNPPHDTECTJQX-UHFFFAOYSA-N 340.426 2.414 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@@H]2C1 20792436 KXDZLJNESJMRQY-WBVHZDCISA-N 333.370 2.181 50 50 EEGA CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sccc2C)[C@H](C(=O)O)C1 2777484 GXHBZGYZAROOCZ-VXGBXAGGSA-N 336.413 2.265 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c(OC)c1C 13322296 MUFNOFBCBAEROG-GIJQJNRQSA-N 330.340 2.187 50 50 EEGA CCOC1CC(O)(CN(Cc2ccccc2F)C(=O)CCl)C1 1875382496 DHLMMSGCYWLLMY-UHFFFAOYSA-N 329.799 2.323 50 50 EEGA CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)N(C)C)c1C 3267932 NUONTUPPOOBZDU-UHFFFAOYSA-N 332.809 2.112 50 50 EEGA CCCOc1ccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)cc1 43761123 FUDWEMRKPHJYEY-CYVLTUHYSA-N 327.340 2.089 50 50 EEGA CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCCCCC3)cc21 117970 WOGQLOWHBJMAJO-UHFFFAOYSA-N 346.406 2.144 50 50 EEGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2c1OCO2 291598 VUVRJTZUWRRVRL-OAHLLOKOSA-N 340.335 2.239 50 50 EEGA biogenic,in-vitro C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1 20198832 IWKQTZAPDUXFKE-NSHDSACASA-N 330.837 2.285 50 50 EEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 292734 NJQGATTTYXVPQX-OAHLLOKOSA-N 344.367 2.436 50 50 EEGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccoc2C)cc1 610659 KROZSULZEJYTIN-UHFFFAOYSA-N 347.396 2.396 50 50 EEGA CC(=O)NNC1=NC(=O)/C(=C\c2ccc(OCC(C)C)cc2)S1 207096841 PWXSAOCGANICNR-RIYZIHGNSA-N 333.413 2.332 50 50 EEGA N#CC1=C(N)Oc2ncnc(O)c2[C@H]1c1ccccc1C(F)(F)F 12375464 XBYWEJGUGFZMSD-JTQLQIEISA-N 334.257 2.419 50 50 EEGA O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSSCC2)c1 888092926 OLQORVUEDLQYEH-LBPRGKRZSA-N 330.431 2.032 50 50 EEGA CCOP(=O)(CC(=O)NNC(=O)c1ccccc1Cl)OCC 1776004263 OANFAQFTQYPHJS-UHFFFAOYSA-N 348.723 2.367 50 50 EEGA O=C(CC1CCCC1)NNC(=O)c1ccc(-c2nnc(S)o2)cc1 119955437 OKRDNZPKTVIPCH-UHFFFAOYSA-N 346.412 2.367 50 50 EEGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@@H]2C1 33656920 LPYIGKHKQBNYRP-SJORKVTESA-N 333.395 2.413 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 1875364367 LWQYBJNTOYZXEL-CQSZACIVSA-N 332.835 2.144 50 50 EEGA COc1ccc(OC)c([C@@H](C)NS(=O)(=O)CBr)c1 126659205 HLXHQEUOPRZRNQ-MRVPVSSYSA-N 338.223 2.037 50 50 EEGA CC[C@H](OC)C(=O)NNc1cc(C(=O)OC)ccc1Br 293953796 IYKXQWMCCUWVEN-NSHDSACASA-N 345.193 2.104 50 50 EEGA CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC 169747772 GFKCWAROGHMSTC-UHFFFAOYSA-N 326.538 2.303 50 50 EEGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3ccco3)ccc12 610459 ZFHVOGSBMJLAHE-UHFFFAOYSA-N 343.364 2.326 50 50 EEGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 3093592 CBGGFTZIENIBCI-UDWIEESQSA-N 341.342 2.479 50 50 EEGA O[C@]1(c2ccccc2)[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](O)([C@@H]5Br)[C@@H]24 239402945 RIHUMCWCXXFECL-CVRKOLQKSA-N 333.225 2.140 50 50 EEGA Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 7165679 RIEMVTSMCNOTOX-DHZHZOJOSA-N 347.421 2.250 50 50 EEGA COc1ccc(OC)c([C@H](C)NS(=O)(=O)CBr)c1 126658961 HLXHQEUOPRZRNQ-QMMMGPOBSA-N 338.223 2.037 50 50 EEGA O=C(NNC(=S)NCc1ccco1)c1ccccc1-n1cccc1 6633565 DZYXUXWKRCGCKE-UHFFFAOYSA-N 340.408 2.379 50 50 EEGA CC(C)c1ccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 278374 YOSKPQVTZHXIAP-CYBMUJFWSA-N 329.425 2.367 50 50 EEGA COc1ccc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)cc1 4330757 YQXGAOKCMZOVDM-QRJSFIJRSA-N 337.379 2.240 50 50 EEGA CC(C)(C)OC(=O)N1CC[C@@]2(CCOC2)[C@@H](CNC(=O)CCl)C1 1875367955 DCJXXYXCRHGRKA-LRDDRELGSA-N 346.855 2.005 50 50 EEGA CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCl)C1 1331707870 WXMBLOAFFUXDKT-VIFPVBQESA-N 326.771 2.234 50 50 EEGA CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc(C(N)=O)c1C 461778 LEBYEVTYWAWTAG-UHFFFAOYSA-N 339.200 2.074 50 50 EEGA CCCc1[nH]nc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 4311195 FJWJXSNJTASXNK-ZDUSSCGKSA-N 325.328 2.489 50 50 EEGA COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 491801 HFOLIZCZMSBQAU-LICLKQGHSA-N 329.312 2.133 50 50 EEGA CCCc1cc(O)nc(NNC(=O)c2c(Cl)ccc3c[nH]nc23)n1 1875345351 XYZMDYIVXGLCRN-UHFFFAOYSA-N 346.778 2.421 50 50 EEGA C=CCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 102264844 RYZDXEGTAKURSV-CIAFOILYSA-N 348.362 2.052 50 50 EEGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccc(C(F)(F)F)c1 6658509 YNPYXNNFYJTSPM-SNVBAGLBSA-N 334.257 2.007 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 284813 PANUOKCCKZTFTP-OAHLLOKOSA-N 330.340 2.046 50 50 EEGA COc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc2c1OCO2 3191451 KBCSZFZIPCPBDY-HNNXBMFYSA-N 328.324 2.095 50 50 EEGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)OC(C)(C)C 4999096 CPXJXJRDMZYBHU-UHFFFAOYSA-N 342.377 2.330 50 50 EEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(F)cc1 2141505 HKUDWICKZAVNFW-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccccc1 2578531 FFHMBAZPHUNAIW-YBFXNURJSA-N 327.340 2.307 50 50 EEGA O=S(=O)(CBr)N1CCC(OCc2ccccc2)CC1 225535963 DMDGHIJXKMBQJD-UHFFFAOYSA-N 348.262 2.350 50 50 EEGA Cc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)s1 33936212 SWANVEDSTWQXCM-GOEBONIOSA-N 335.436 2.412 50 50 EEGA Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1 294387610 OMANRKBDCODFKY-AWEZNQCLSA-N 347.415 2.118 50 50 EEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(F)c1 4209867 SKAAELQCTGUTJT-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])cs1 22590469 DAHRGOVWPJUCIX-BPKVKKHESA-N 347.352 2.337 50 50 EEGA COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 255061 CNLMHSSICHOOTL-LICLKQGHSA-N 329.312 2.376 50 50 EEGA CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875364086 CUUYFTUBQSSGRB-DGCLKSJQSA-N 341.839 2.375 50 50 EEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(O)c1 4230234 PUMAMJYAVAJMDT-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(F)cc(B(O)O)c1 169744208 DLMKHUCIXJXKBM-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA COc1ccc(CCCC(=O)NNc2c(C#N)c(C)nn2C)cc1F 1875345001 RMSAXQPPGZNDQY-UHFFFAOYSA-N 345.378 2.214 50 50 EEGA CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCCl)c1 4087536 BGOOGQSFSGQLCH-CQSZACIVSA-N 338.791 2.495 50 50 EEGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 4555645 NWWAJDMVOTZHAC-JTQLQIEISA-N 329.316 2.427 50 50 EEGA COc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1C 445004 VVFBCMYDCKIWOG-UHFFFAOYSA-N 328.368 2.152 50 50 EEGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C1/C(=O)Nc2ccccc21 5912767 JEKAXOQIYDNDQL-GFCCVEGCSA-N 347.378 2.145 50 50 EEGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1[C@H]2CCCC[C@H]21 245238647 XNJQXVOJJPLFJV-KPQHISEESA-N 331.328 2.210 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1cccc(Cl)c1Cl 4990404 ZUWUAAAGMDIIRB-LZYBPNLTSA-N 332.256 2.492 50 50 EEGA COc1ccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4360096 TYCDTKBEAKPFPC-RGVLZGJSSA-N 336.351 2.265 50 50 EEGA CCC(=O)NNC(=O)[C@H](C)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 252475178 VKHCMBLXNCZVKC-HUBLWGQQSA-N 333.432 2.313 50 50 EEGA COc1ccccc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 433292 GAICLAVKSULGIG-LICLKQGHSA-N 329.312 2.133 50 50 EEGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc2ccccc12 2379919 PMMZCUMRWFHNHI-RGVLZGJSSA-N 349.346 2.340 50 50 EEGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)c1 4303024 RAIRJEDZEQAQMR-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccc(C(F)(F)F)c1 6658508 YNPYXNNFYJTSPM-JTQLQIEISA-N 334.257 2.007 50 50 EEGA C/C(=N\NC(=O)c1ccoc1C)c1ccc(NS(C)(=O)=O)cc1 17070607 XCTNAJNIIGFHIN-MHWRWJLKSA-N 335.385 2.114 50 50 EEGA CC(C)(C)OC(=O)N(Cc1ccc(B(O)O)cc1F)C1CCCC1 230551582 ULIWYWAIEKGDQM-UHFFFAOYSA-N 337.200 2.185 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 12343069 XOZFENCUXRUYOP-YCPFAOKUSA-N 343.339 2.177 50 50 EEGA Cc1nc2ccccn2c1C(=O)NCCSSCCC(=O)O 1875388744 OUAPQKTUKWHYAY-UHFFFAOYSA-N 339.442 2.229 50 50 EEGA COC(=O)[C@@H](Br)CCC[C@@H](Br)C(=O)OC 1565825 AWWJYEJSCIDADZ-KNVOCYPGSA-N 346.015 2.030 50 50 EEGA Cn1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 291192 FCCDLHINYXHQMR-SVYXSEEQSA-N 335.363 2.468 50 50 EEGA CCN1CCN(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)CC1 19595024 GEPBBPDJWXADOT-VCHYOVAHSA-N 343.258 2.081 50 50 EEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc1 2553275 KJMSXGKNSGBWRX-FYJGNVAPSA-N 339.395 2.356 50 50 EEGA C/C(=N\NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccn1 375439 YUZAKZNLTPXJGT-MBNTZHJCSA-N 328.328 2.298 50 50 EEGA O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(B(O)O)c1F 169744669 KVZYFGZRZJAAMX-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA O=C(CCl)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1875370335 KTPAJZUJQWSPOJ-LLVKDONJSA-N 340.773 2.265 50 50 EEGA CCOC(=O)/C(=N\Nc1cccc(C)c1)C(=O)CBr 4566291 YCNFUGUNBJARFP-VBKFSLOCSA-N 327.178 2.290 50 50 EEGA C[C@H](Cl)C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 1875375811 IVAURKCSQBAHBY-NSHDSACASA-N 349.818 2.299 50 50 EEGA O=C(NNS(=O)(=O)c1ccccc1)c1[nH]c2ccccc2c1Cl 1395466 KNOXDKLFNWRJCP-UHFFFAOYSA-N 349.799 2.445 50 50 EEGA N#C/C(=C\c1ccccc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17071969 NUVCXDLOKGJHHQ-FMIVXFBMSA-N 345.355 2.019 50 50 EEGA COc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1 504519 PNMMWOKKIMBONR-UHFFFAOYSA-N 331.397 2.092 50 50 EEGA Cc1nc(C)c(I)c(NNC(=O)C(C)(C)C)n1 4050617 XKHPTEISIGMKLF-UHFFFAOYSA-N 348.188 2.187 50 50 EEGA C=CCc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1O 5495030 QMQZZCSCSZHZLN-YBFXNURJSA-N 335.367 2.016 50 50 EEGA CC1CCN(/C(N)=C(\C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 221915081 SMZYLZFCVSOFCB-FYWRMAATSA-N 343.818 2.459 50 50 EEGA CCOC(=O)/C(=N/Nc1cccc([N+](=O)[O-])c1C)C(=O)CCl 2519711 GYMZHNBVNAFUNU-FOWTUZBSSA-N 327.724 2.042 50 50 EEGA O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1 290063 FVNNIWKFULPJMJ-UHFFFAOYSA-N 340.291 2.187 50 50 EEGA C=CCN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21 100711906 BEQAIKXGWNARGI-JZJYNLBNSA-N 335.363 2.362 50 50 EEGA C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 4976176 JCGNALNBTYYEBX-YCPFAOKUSA-N 341.323 2.275 50 50 EEGA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=S)NC[C@H]2CCCO2)o1 248896351 VDRMZRWBKXLZJR-WRLIZRNFSA-N 349.456 2.091 50 50 EEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1 1833308 WRWSKWAELGNZRB-JKSUJKDBSA-N 335.436 2.493 50 50 EEGA COCc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC 370749 OROPOZOOEUTDJW-YBFXNURJSA-N 328.368 2.371 50 50 EEGA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCl)cc2)no1 40890145 GBJOHTYESZOZAD-UHFFFAOYSA-N 343.792 2.351 50 50 EEGA Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)c1 2936253 BEOHJQIZNQESNE-VXLYETTFSA-N 339.351 2.090 50 50 EEGA CC(=O)N1CCC(N(Cc2cncs2)C(=O)[C@H](C)Cl)CC1 1875377860 PKISZAMGGIOZTA-JTQLQIEISA-N 329.853 2.110 50 50 EEGA N#CC1=C(C(=O)N2CCN(c3ccc(F)cc3F)C(=O)C2)CCC1 2325786798 DRFRCNPKUMJBKK-UHFFFAOYSA-N 331.322 2.144 50 50 EEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4168446 NJCCSFQPVKKHBU-IBGZPJMESA-N 335.363 2.244 50 50 EEGA Cc1ccc(NNC(=O)c2sc3ncn(C)c(=O)c3c2C)cc1 225494280 BCCLLTBAKZGXFI-UHFFFAOYSA-N 328.397 2.369 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 3667173 MHCDXJSXSBOJPR-MRXNPFEDSA-N 340.335 2.226 50 50 EEGA O=C(Nc1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239309194 HGPVWMBJGZUJGG-PTEOKISQSA-N 336.185 2.196 50 50 EEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 440256 UWOUFHNYAOSUBA-LZYBPNLTSA-N 345.384 2.244 50 50 EEGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1ccccc1F 169325936 ANGPKHJAKPSOMV-RGVLZGJSSA-N 338.342 2.377 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1O 58953 NHCFUZITNWZRBT-VCHYOVAHSA-N 330.340 2.182 50 50 EEGA biogenic COc1cccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)c1O 55433049 WZEQVNASJZMDDM-GRSHGNNSSA-N 338.367 2.429 50 50 EEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)cc1 3061711 KMVCAYLSUOXEAW-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA CCOc1ccc(NCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 524731 BVEABCDRYJVGJM-RGVLZGJSSA-N 343.383 2.362 50 50 EEGA COc1ccccc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 448558 RVSBSPGETDNVJL-SLDJAQPHSA-N 337.379 2.198 50 50 EEGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccs3)CC2=O)cc1 448627 ODOVKNGYPBONMS-NNLQFVHNSA-N 343.408 2.260 50 50 EEGA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(O)cc1 3136657 MBKADJTVPPTEFK-CAOOACKPSA-N 349.730 2.483 50 50 EEGA CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CCl 1875374876 ICYGYWLSTRAXEJ-CQSZACIVSA-N 335.835 2.465 50 50 EEGA CCC(=O)NNC(=O)[C@H](C)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 252475180 VKHCMBLXNCZVKC-XUJVJEKNSA-N 333.432 2.313 50 50 EEGA COc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1OC 263722 KZXQVOVJIFIFPC-VCHYOVAHSA-N 330.388 2.488 50 50 EEGA CCOc1ccc([C@@H]2C(C#N)=C(SC)NC(=O)[C@@H]2C(=O)OC)cc1 9110914 MSOQPVKRGLIIEG-ZIAGYGMSSA-N 346.408 2.186 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@H]2C1 19798327 XYNNGJLEXFDINF-DLBZAZTESA-N 333.370 2.181 50 50 EEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 4330796 YWASQDHBLNSRCL-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA O=C(NNC(=O)[C@H]1CC(c2cccs2)=NO1)Nc1ccccc1 5774577 OPFBUSQBHNMDIA-GFCCVEGCSA-N 330.369 2.094 50 50 EEGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccnc2)C2=C1CC(C)(C)CC2=O 458668 JSNSUHXPKBLWLK-MRXNPFEDSA-N 337.427 2.294 50 50 EEGA COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2cccs2)cc1 2910089 STOLLFHCGOLRCP-JDAJCMJVSA-N 331.397 2.084 50 50 EEGA Cc1cc(Br)c(OCc2ccc(F)cc2)c(B(O)O)c1 169877199 PMGXFVHJKMZADN-UHFFFAOYSA-N 338.969 2.155 50 50 EEGA in-vitro CSc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 381561 KXZSWKFEUCBCRI-LICLKQGHSA-N 325.397 2.304 50 50 EEGA NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 446308 NBSWNEYEAADJGQ-UHFFFAOYSA-N 341.392 2.244 50 50 EEGA O=C(CCl)NC[C@@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1 1875383670 BTZUSNJKYDXNMZ-SNVBAGLBSA-N 344.198 2.041 50 50 EEGA C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1875366440 JMPMMZHBVWRWGE-QWRGUYRKSA-N 330.837 2.031 50 50 EEGA C[C@H](Cl)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 1875366488 NZTHIXCXIHUUJJ-ZETCQYMHSA-N 342.774 2.223 50 50 EEGA C[C@H]1CN(C(=O)C(Cl)Cl)[C@@H](C)CN1C(=O)C(Cl)Cl 370537 SDOONCCYDHUSEZ-WDSKDSINSA-N 336.046 2.042 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1ccc(C(F)(F)F)cc1 4990570 NPPRWDMRKZBCAM-GIJQJNRQSA-N 331.363 2.204 50 50 EEGA CCC(=O)NNC(=O)[C@H](C)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 252475179 VKHCMBLXNCZVKC-TYNCELHUSA-N 333.432 2.313 50 50 EEGA C/C(=N/NC(=O)c1ccc(CO)nc1)c1ccc(Br)cc1 12342898 HLVSWXUJIYPMQZ-ZDLGFXPLSA-N 348.200 2.490 50 50 EEGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(O)cc(O)c32)c1 408000 ZHNBHUIOOBULMN-INIZCTEOSA-N 340.335 2.333 50 50 EEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 4258762 ZARINOZLTWNFFH-KEBDBYFISA-N 345.786 2.229 50 50 EEGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)c1 4261178 BQTHTDLPDABEDL-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCC=C12 19758420 OFZHUKWHABAHGS-JLTOFOAXSA-N 341.374 2.387 50 50 EEGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1O 4365872 YQXQFBPQZUDBCF-MUOOZZNISA-N 329.312 2.218 50 50 EEGA CCc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 4812821 REFBGBLZWQRUIP-AWEZNQCLSA-N 326.356 2.207 50 50 EEGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1ccccc1F 1430757 OJTRJPRUWKBUHS-SNVBAGLBSA-N 329.360 2.138 50 50 EEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1Cl 2566881 JEPCPVBWIRGWJS-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA COc1ccccc1O[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1 17072231 GDASRXAKEZMIJG-LLVKDONJSA-N 347.346 2.455 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 2491177 XGHDRNYHMLHKQS-OAHLLOKOSA-N 341.323 2.406 50 50 EEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2O)cc1Cl 4260333 KOSADBGOZRNZTE-QGMBQPNBSA-N 347.758 2.148 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 2571810 ASMLEZOIXDUPIJ-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA CN(C)S(=O)(=O)c1cccc(CN2CCSSCC2)c1 888092906 IOHAWVGRDOYJTG-UHFFFAOYSA-N 332.516 2.134 50 50 EEGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cc(-c2cccs2)n[nH]1 8553429 RYGOIGXPXQWFHU-LZYBPNLTSA-N 328.353 2.313 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13520471 XKNJSLWWUITSKM-UDWIEESQSA-N 334.379 2.358 50 50 EEGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 252511621 ISXYFXUFGODWFO-DMDPSCGWSA-N 342.317 2.135 50 50 EEGA CCOc1ccc(Br)cc1/C=N/NC(=O)c1cnccn1 5673709 RIEYUDCSMIYOCA-QGMBQPNBSA-N 349.188 2.402 50 50 EEGA COc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 4992231 HIUPEKVVWBAMKG-UHFFFAOYSA-N 347.327 2.378 50 50 EEGA O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 100380955 IQVOHGYYTSSHBO-UWVGGRQHSA-N 337.763 2.445 50 50 EEGA O=C1c2ccccc2S(=O)(=O)N1C[C@H](Cl)[C@@H](Cl)CCl 4105431 RPRFLYGBNUEZJE-IUCAKERBSA-N 342.631 2.285 50 50 EEGA O=S1(=O)[C@H]2CC[C@H](Br)[C@H](Br)[C@H]1CC2 216370717 RFFHTJJMSBLMPU-HSNKUXOKSA-N 332.057 2.253 50 50 EEGA COc1ccccc1NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 60493 YGRKPHRHAWOZAV-VCHYOVAHSA-N 328.328 2.166 50 50 EEGA O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2903196 ODQYIYWTYHDRGM-CNHKJKLMSA-N 340.166 2.353 50 50 EEGA CCOc1cc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)ccc1O 355515 MMUCKFPVJIMOJB-CAOOACKPSA-N 336.779 2.250 50 50 EEGA Cc1nc2sc3c(c2c(=O)n1NC(=O)CCCl)CCCC3 9193853 XHPAUILMITYRIJ-UHFFFAOYSA-N 325.821 2.344 50 50 EEGA Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2cccc(O)c2)n1 439973 VOMACMBBPGPIKB-UWONZBIMSA-N 330.413 2.430 50 50 EEGA OB(O)c1ccccc1-c1noc(-c2ccc(Cl)cc2Cl)n1 170002429 KHZLTYBWGAAIPO-UHFFFAOYSA-N 334.955 2.390 50 50 EEGA C[C@H](Cl)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 1875377483 FKDOIRIFIBJRJA-ZLKJLUDKSA-N 331.243 2.455 50 50 EEGA O=C(Cc1ccccc1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402823 BPKJZOJXAIWPCE-UHFFFAOYSA-N 343.408 2.018 50 50 EEGA COc1cc(OC)cc([C@@H](NC(=O)[C@H](C)Cl)c2nccn2C)c1 1875364144 FQUVVVRHTMIVSH-IINYFYTJSA-N 337.807 2.270 50 50 EEGA Cc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 408309 ASJZAKZZFDGAMX-ZWKOTPCHSA-N 329.407 2.350 50 50 EEGA COc1ccccc1C(=O)NNC(=O)COc1ccccc1Cl 436205 KBLCZQDHLSYGMG-UHFFFAOYSA-N 334.759 2.189 50 50 EEGA COc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1OC 72571 YEWRCEXXLVCCHD-VCHYOVAHSA-N 330.388 2.127 50 50 EEGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cn(C)nc2C)c(C)c1 6189671 COLRGALFXWYAOA-VXLYETTFSA-N 341.415 2.214 50 50 EEGA C[C@@H](Cl)C(=O)N(C)[C@H](C)c1ccccc1N1CCCS1(=O)=O 1875366405 HBARZAVCGOTFCM-VXGBXAGGSA-N 344.864 2.373 50 50 EEGA Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2 6903318 PXEZNXNSNWXCQL-UHFFFAOYSA-N 338.323 2.298 50 50 EEGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(C)cc1)C(F)(F)F 2769396 DNNJZPZUNRYWFG-BXKDBHETSA-N 339.697 2.007 50 50 EEGA N#C/C(=C\c1cccc2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 2667321 OZMITRSAYYRDIW-KMPOOHAWSA-N 340.404 2.050 50 50 EEGA COc1cc(CN(C(=O)CCl)[C@@H]2CCC[C@H]2O)cc(OC)c1 1875382484 CRUJOPFELUCPMX-HUUCEWRRSA-N 327.808 2.185 50 50 EEGA O=C(COc1ccc(F)cc1F)NNC(=S)NC1CCCCC1 609087 AHYTUFSBEBGVCS-UHFFFAOYSA-N 343.399 2.172 50 50 EEGA CCOC(=O)c1c(CBr)nc2c(C#N)c(OC)ccn12 230535876 RGJKXTYDTGEKMC-UHFFFAOYSA-N 338.161 2.286 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1OC 5296857 JNJXAADHAGWOCF-VCHYOVAHSA-N 340.339 2.451 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 55383 IGOZQGBOETZFPT-AWEZNQCLSA-N 329.312 2.240 50 50 EEGA COC(=O)c1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 32614603 BFVKBWNMHUDEKW-ZDLGFXPLSA-N 328.372 2.258 50 50 EEGA C[N+]1(CCOP(=O)(c2ccccc2)c2ccccc2)CCOCC1 295145 LELURBDAJIEQFH-UHFFFAOYSA-N 346.387 2.409 50 50 EEGA O=C(CCCCC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1 1754309 DUOJGMBENABMRK-JYFOCSDGSA-N 330.344 2.033 50 50 EEGA CCOc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1O 2387514 NLZIEDOWKQAMME-VXLYETTFSA-N 332.331 2.459 50 50 EEGA CCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 100534764 LTQCXIYVQOEZOZ-UHFFFAOYSA-N 345.399 2.068 50 50 EEGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccs1 19913170 JOXNGBVJZJQWAV-CPNJWEJPSA-N 342.468 2.016 50 50 EEGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 1430753 XFYHRDHSEZFZMX-SNVBAGLBSA-N 329.360 2.138 50 50 EEGA C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(-n2ccnc2)cc1 20157817 JSRNNXGFQXPIIG-ALDSOSFCSA-N 334.379 2.446 50 50 EEGA CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)CC1 5524048 GLMJTDUCJTXENE-UHFFFAOYSA-N 330.837 2.285 50 50 EEGA COC(=O)N1C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]21 216343787 UOXRQXOWNBYVAE-XAMCCFCMSA-N 327.016 2.374 50 50 EEGA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)Br)n1 1875388781 PZFHOTNTLJIMAD-QWRGUYRKSA-N 340.221 2.103 50 50 EEGA Cc1n[nH]c2c1[C@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2 18115616 CJZTZOWANLKCII-CYBMUJFWSA-N 330.731 2.318 50 50 EEGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 182572 DYLNOQXURIDCMZ-HNNXBMFYSA-N 331.331 2.452 50 50 EEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 292733 NJQGATTTYXVPQX-HNNXBMFYSA-N 344.367 2.436 50 50 EEGA C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=S)NC[C@H]2CCCO2)o1 248896347 VDRMZRWBKXLZJR-KVNSJBJSSA-N 349.456 2.091 50 50 EEGA Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2cn(C)nc2C)cc1 2794646 JIGSCIPDGCYFJB-KBPBESRZSA-N 343.456 2.158 50 50 EEGA O=S1(=O)[C@H]2C=C[C@H]1CC[C@@H](Br)[C@@H]2Br 104188319 GVCCYCIGPUUNOH-NGJRWZKOSA-N 330.041 2.029 50 50 EEGA O=C1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@H]1Br 1386552 JORNURPRWBYZSD-RFZPGFLSSA-N 328.109 2.428 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 3667178 DABVZSRHVMKIIJ-HNNXBMFYSA-N 341.323 2.406 50 50 EEGA C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 370706 GNMVXYQQWVQPBM-MKFNJMOCSA-N 338.323 2.384 50 50 EEGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 1430754 XFYHRDHSEZFZMX-JTQLQIEISA-N 329.360 2.138 50 50 EEGA CCO[C@@H](C)C(=O)NNc1cc(C(=O)OC)ccc1Br 293904839 FRAKVOBJRSAFQD-QMMMGPOBSA-N 345.193 2.104 50 50 EEGA O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1cccc2nccnc12 170615395 PRMGKVBIAGSGOI-RGVLZGJSSA-N 335.323 2.231 50 50 EEGA COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)c(C(=O)O)c1OC 5030927 KCVUMNWUXRETBO-VXLYETTFSA-N 342.351 2.474 50 50 EEGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CCCC2 4209458 DMUKVLYMASBRHL-GIJQJNRQSA-N 342.380 2.180 50 50 EEGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1Cl 6259369 IRIHCKPSMASHNX-KEBDBYFISA-N 345.786 2.229 50 50 EEGA COC(=O)c1cc(Br)c(NC(=O)CCl)cc1OC 4072973 HHMBAQUKDHANIL-UHFFFAOYSA-N 336.569 2.422 50 50 EEGA COc1cccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 491689 FLDMDIKVUTVFRE-LICLKQGHSA-N 329.312 2.133 50 50 EEGA C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 313085 QYGBXDREJKTVJA-JTQLQIEISA-N 340.291 2.185 50 50 EEGA Cc1ccc(NC(=O)NNC(=O)c2ccc(Cn3cccn3)o2)cc1 355574 BDGQLWARFIRCFX-UHFFFAOYSA-N 339.355 2.299 50 50 EEGA CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@@H](CNC(=O)CCl)C1 1875367954 DCJXXYXCRHGRKA-BLLLJJGKSA-N 346.855 2.005 50 50 EEGA CO[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C 216547473 GOEBWBYNAAWZLU-IKOXMDCHSA-N 348.512 2.261 50 50 EEGA CC(C)[C@H](Br)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 239302611 FMBWOYZHZAVDEE-XQQFMLRXSA-N 339.233 2.357 50 50 EEGA COC(=O)N1C[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]21 254343105 UOXRQXOWNBYVAE-HSNKUXOKSA-N 327.016 2.374 50 50 EEGA Cc1nc(C(F)(F)F)c(C(=O)NNC(=N)c2ccccn2)s1 1396863 XACRVKFXGBOELJ-UHFFFAOYSA-N 329.307 2.125 50 50 EEGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2c1OCO2 291597 VUVRJTZUWRRVRL-HNNXBMFYSA-N 340.335 2.239 50 50 EEGA biogenic,in-vitro CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(O)c(OCC)c1 292618 DFARNXVTEKNZOW-MRXNPFEDSA-N 344.367 2.436 50 50 EEGA OB(O)c1ccccc1-c1noc(-c2cccc(Cl)c2Cl)n1 170002418 CSIRTJWWJWSOLD-UHFFFAOYSA-N 334.955 2.390 50 50 EEGA CCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)c(O)c1 1002017 BZZSTOOUGYCWTP-GIJQJNRQSA-N 349.822 2.389 50 50 EEGA Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2CCl)s1 328595981 MGVWBNIHHBRJOW-UHFFFAOYSA-N 344.845 2.419 50 50 EEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)n[nH]1 72059 DUFNBILXFNXADS-CXUHLZMHSA-N 325.284 2.342 50 50 EEGA O=C(CCN1CCOCC1)N/N=C/c1ccc(Cl)cc1Cl 19229036 GVFUQJKAAMCOJJ-LICLKQGHSA-N 330.215 2.166 50 50 EEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1C 2901628 NGYKPARLQAYDCZ-VCHYOVAHSA-N 340.339 2.300 50 50 EEGA CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O 30765813 GLAYEDBBBULPPW-LSCVHKIXSA-N 344.327 2.166 50 50 EEGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3nc(SC)nc(N)c32)c1 1430799 MHSKDMUBTUZQAR-LLVKDONJSA-N 341.396 2.007 50 50 EEGA COc1cc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)ccc1O 32603769 JNEJWPGDJIVCFS-GRSHGNNSSA-N 338.367 2.429 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(O)cc1O 238854 ZNPTVUGVEDFVFN-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA CC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2575526 OBFGGGOSBTXXCS-INIZCTEOSA-N 328.324 2.248 50 50 EEGA O=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccccc1O 2172475 WJRBUEKZJFUHSM-DJKKODMXSA-N 346.774 2.317 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)c2ccccn2)c(OC)c1OC 4737846 FVGRJGWEAWGCMB-YBFXNURJSA-N 329.356 2.261 50 50 EEGA Cc1nnsc1C(=O)N/N=C/c1cccc(Br)c1 5792609 PSCDBURJRZXTIO-AWNIVKPZSA-N 325.191 2.373 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)cc1 2573616 RUTXRJGVAZEJKF-XDHOZWIPSA-N 325.368 2.346 50 50 EEGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1cccnc1 16309966 FDZHFPFMNHNCOE-INIZCTEOSA-N 347.330 2.420 50 50 EEGA CNC(=S)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 6334462 UNBARNKFVUFIMJ-UHFFFAOYSA-N 326.381 2.234 50 50 EEGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Cl)ccc2O)c1 4209316 XLGABZRSGOOVNE-AWQFTUOYSA-N 345.786 2.234 50 50 EEGA O=C(CN1c2ccccc2C[C@H]2CCCC[C@@H]21)NNC(=O)C1CC1 2325740884 GDZOROIJKQNNDU-WBVHZDCISA-N 327.428 2.165 50 50 EEGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cnc2ccccc2n1 225517345 QFUOAZDNJLZKPV-YBFXNURJSA-N 335.323 2.231 50 50 EEGA O=S1(=O)[C@H]2C=C[C@H]1CC[C@H](Br)[C@H]2Br 104188323 GVCCYCIGPUUNOH-VGRMVHKJSA-N 330.041 2.029 50 50 EEGA COC(=O)c1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1 32606178 VKBAWPXDPQJQNT-JAIQZWGSSA-N 325.368 2.344 50 50 EEGA CN(NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1 726981236 PCAZHGNOBQASEF-INIZCTEOSA-N 327.359 2.346 50 50 EEGA O=C(O)CCSSCCNC(=O)C[C@H]1CCC2(CCC2)O1 1875388829 RUMFEDBYPGAYSS-LLVKDONJSA-N 333.475 2.451 50 50 EEGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNc2cccc(C#N)n2)CC1=O 2325783546 GAQZGZFTENMNCP-HIFRSBDPSA-N 349.394 2.006 50 50 EEGA C[C@H](Cl)C(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 1875364509 NJJCRTBTDZIAQM-VHSXEESVSA-N 339.741 2.480 50 50 EEGA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1 408517284 FNMJWQDTDZLSMY-CABCVRRESA-N 334.420 2.284 50 50 EEGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1 4326961 UDWMADIGCNIFHD-VCHYOVAHSA-N 330.340 2.182 50 50 EEGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2C 15015511 AZPBBJXUOSWUGZ-SDXDJHTJSA-N 338.323 2.014 50 50 EEGA Cc1cc(CN(C)C(=O)[C@@H](NC(=O)CCl)c2ccccc2)no1 1875384726 VNUVHNNNGMLKIF-HNNXBMFYSA-N 335.791 2.038 50 50 EEGA CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)C1(C)C 252679216 JOPJICPNUMBGPQ-BMFZPTHFSA-N 328.412 2.376 50 50 EEGA COc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(C)cc1)CO2 43761324 JLGMKBASQMHLOY-KNTRCKAVSA-N 326.352 2.295 50 50 EEGA COc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1OC 122323 ABBDYGNALLZFNP-UHFFFAOYSA-N 345.424 2.013 50 50 EEGA Cc1nn(C)c(NNC(=O)c2scnc2C2CCCC2)c1C#N 1875344529 HCDZVPXWNHECAR-UHFFFAOYSA-N 330.417 2.471 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 2026732 KCCDBRDNSIZZKD-YBFXNURJSA-N 344.802 2.495 50 50 EEGA CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1O 510879 PDTZDYBVGQBWSH-YBFXNURJSA-N 344.367 2.329 50 50 EEGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1 259649 JOBBGRVDZVZSGZ-UHFFFAOYSA-N 327.384 2.219 50 50 EEGA CC(=O)Oc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccccc2C1=O 460329 UPDPLHQZXABJLD-UHFFFAOYSA-N 326.264 2.321 50 50 EEGA C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ncccc3F)cc2C1 854240379 KQPDQOMVWLENKO-SECBINFHSA-N 333.388 2.482 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 3667172 MHCDXJSXSBOJPR-INIZCTEOSA-N 340.335 2.226 50 50 EEGA CC(C)[C@H](Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1635531 RGIHFSFFOHEHAX-RYUDHWBXSA-N 328.206 2.218 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1[N+](=O)[O-] 4750786 JNYOKVRWHZECOI-LICLKQGHSA-N 328.328 2.130 50 50 EEGA Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2n1C 55636 OQEDJJVPMMOZAK-LICLKQGHSA-N 327.413 2.154 50 50 EEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 4287310 NHCINZGVPYVFPO-KEBDBYFISA-N 349.346 2.190 50 50 EEGA O=C(N/N=C/c1ccccc1Br)c1n[nH]c2c1CCC2 4518000 MBYBTZVPSDMDQJ-LZYBPNLTSA-N 333.189 2.425 50 50 EEGA O=C(Cc1cccs1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402608 CRLLCNMWNZTCQO-UHFFFAOYSA-N 349.437 2.080 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OC 2571765 KJYGUTZTTHSJQA-YBFXNURJSA-N 341.367 2.101 50 50 EEGA CNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 5573475 UFJSZQMOEYIMID-UHFFFAOYSA-N 337.408 2.036 50 50 EEGA C/C(=N\NC(=O)Cn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 14783681 YOYMAEHFHZWMKH-XDHOZWIPSA-N 337.339 2.485 50 50 EEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 3008813 QMFWSMHEJUUHQA-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA C[C@@H]1COc2ccc(C(=O)NNc3nc(-c4ccncc4)no3)cc21 1875253405 ZMTKIBBEWZGOQD-SNVBAGLBSA-N 337.339 2.384 50 50 EEGA COc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)c1 2573363 RCMXDIRZDTUFAB-UHFFFAOYSA-N 348.786 2.497 50 50 EEGA C[C@H](Cl)C(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1875364858 WNFGAVXYLIDFRA-AXFHLTTASA-N 334.844 2.490 50 50 EEGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] 342715 DNYIOUOQWKBFCQ-KGLIPLIRSA-N 325.324 2.160 50 50 EEGA Cn1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3cccnc3)s2)n1 134504236 TUJMFOBWUCSOBV-KPKJPENVSA-N 336.380 2.484 50 50 EEGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])cs1 22590463 DAHRGOVWPJUCIX-WFSQQTBHSA-N 347.352 2.337 50 50 EEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccnc1 4258913 KGRQFZXQBWHOKD-WSDLNYQXSA-N 332.363 2.115 50 50 EEGA NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 1069043 DYLJRFMJGREFJR-MWLCHTKSSA-N 343.284 2.286 50 50 EEGA CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 18222918 VZVUHPNLAVYENU-INIZCTEOSA-N 338.363 2.474 50 50 EEGA biogenic,in-vitro Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cc1 2879100 RDMNFVCALICOMI-UHFFFAOYSA-N 341.392 2.167 50 50 EEGA COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 2571756 AYGVKOKHFQTTHF-GIJQJNRQSA-N 328.324 2.196 50 50 EEGA CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c2ccccc21 1420899 AZXBKNGEIZGIDU-YBTHPKLGSA-N 349.390 2.268 50 50 EEGA O=C(N/N=C/c1c(F)cccc1Cl)C(=O)N1CCCCCC1 2028611 XNAKUXDXBISHQG-VCHYOVAHSA-N 325.771 2.332 50 50 EEGA CC(C)(C)OC(=O)CCOCCOCCOCCBr 83254125 ISAHSVMMFPHXFG-UHFFFAOYSA-N 341.242 2.163 50 50 EEGA in-vitro COC(=O)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 354676 XAPCBDIBSVHQPG-YBFXNURJSA-N 342.351 2.254 50 50 EEGA O=C(Nc1cccc(Cl)c1Cl)c1cccc(B(O)O)c1F 169744681 HRUGCNNDEMWKAF-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA CCNC(=S)NNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 6655159 WKGYIRWZZYKIPY-JTQLQIEISA-N 329.853 2.239 50 50 EEGA Cc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)[nH]n2)cc1 5687235 WOJWZZGXMBMUQW-UHFFFAOYSA-N 345.362 2.471 50 50 EEGA COc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(C)c2)cc1 2762348 FUOPAOLIUIXNLG-UHFFFAOYSA-N 335.385 2.019 50 50 EEGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2887651 BPTUTPSJYAAHEL-LBPRGKRZSA-N 343.339 2.132 50 50 EEGA COc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1OC 8577676 UMBMNHIANPTDOF-UHFFFAOYSA-N 337.445 2.145 50 50 EEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/C=C/c1ccccc1 4354748 KLUBBHMQABTNLK-HJETYCPDSA-N 325.343 2.371 50 50 EEGA Nc1nc(Cl)cc(NNC(=O)c2ccc(-c3cnco3)cc2)n1 753457106 HZMJVOWRYNICBF-UHFFFAOYSA-N 330.735 2.124 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 580454 DOVFHSSPRQUKNP-YBFXNURJSA-N 344.367 2.485 50 50 EEGA C[C@H]1CN(c2cccc(CN(C)C(=O)[C@@H](C)Cl)c2)S(=O)(=O)C1 1875366393 GXNOMLOLCWNNHH-NWDGAFQWSA-N 344.864 2.058 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 373087 IXECRYIURURBIM-LSDHHAIUSA-N 330.384 2.238 50 50 EEGA CCOC(=O)/C(=N/Nc1ccccc1C)C(=O)CBr 4530023 WGLYNOKUHPSHDZ-FOWTUZBSSA-N 327.178 2.290 50 50 EEGA NNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 122453 WJYCMPVGQTYGSQ-UHFFFAOYSA-N 332.200 2.172 50 50 EEGA in-vitro CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2)cc1 3009059 YTCVXSVMDYRWRX-XDHOZWIPSA-N 325.368 2.346 50 50 EEGA Cn1c(SCC(=O)N/N=C/c2cccnc2)nc2ccccc21 72909 DYMXKKCTYGUDBT-VCHYOVAHSA-N 325.397 2.211 50 50 EEGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 2901333 WQEUMDCXLBRTMT-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccn2C)c(O)c1 73598 MQYCKJSOLWQZKX-CPNJWEJPSA-N 328.416 2.270 50 50 EEGA O=C(CCl)NC[C@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1 1875383669 BTZUSNJKYDXNMZ-JTQLQIEISA-N 344.198 2.041 50 50 EEGA CCOc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c1O 5353862 UGSKIWRMPUTYSG-VCHYOVAHSA-N 328.372 2.157 50 50 EEGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1 6297693 YLWYCTWHIZZQOW-KEBDBYFISA-N 345.786 2.229 50 50 EEGA C[C@@H](Cl)C(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 1875364512 NJJCRTBTDZIAQM-ZJUUUORDSA-N 339.741 2.480 50 50 EEGA Cc1cc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)[nH]n1 6493745 TXRNGADHGGUKPH-GIJQJNRQSA-N 338.323 2.440 50 50 EEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(F)cc1 50417 OQWGDKLIVKPIOH-MRXNPFEDSA-N 345.399 2.329 50 50 EEGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3cccs3)CC2=O)cc1 448629 ODOVKNGYPBONMS-SGEFVQMOSA-N 343.408 2.260 50 50 EEGA CCO/C=C(\C#N)C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C1 490976502 QWNGSJYKYNVKDJ-IJUARFSTSA-N 349.431 2.146 50 50 EEGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 4544404 ZJJNLYJDTDDBFZ-QAZQYGAVSA-N 341.411 2.153 50 50 EEGA COc1cc(OC)cc([C@H](NC(=O)[C@H](C)Cl)c2nccn2C)c1 1875364143 FQUVVVRHTMIVSH-HZMBPMFUSA-N 337.807 2.270 50 50 EEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1 2553812 IQISQEXDFCWINX-KEBDBYFISA-N 345.786 2.229 50 50 EEGA COc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4730176 WPEOSHQNWZGDCB-ROUUACIJSA-N 345.406 2.050 50 50 EEGA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(Cl)Cl 73971 PKIVOAWVOLCJFV-UHFFFAOYSA-N 337.228 2.213 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2500934 TUHASRYPLIYHBE-HNNXBMFYSA-N 341.323 2.406 50 50 EEGA Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 287100 QUPJWDLLNIPHQV-GXDHUFHOSA-N 341.392 2.188 50 50 EEGA Cc1scc(C(=O)NNC(=O)/C=C/C(=O)O)c1-c1ccccc1 2736101 AOYFYJPHTWCZCH-BQYQJAHWSA-N 330.365 2.125 50 50 EEGA N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1cccc2ccccc12 198444 PMGIWLNJBGUXCB-CQSZACIVSA-N 337.404 2.397 50 50 EEGA CCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 17068522 BSWCKXXPYBVQRB-VIFPVBQESA-N 333.310 2.213 50 50 EEGA COc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 13510933 WPEOSHQNWZGDCB-QZTJIDSGSA-N 345.406 2.050 50 50 EEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(F)cc1 50416 OQWGDKLIVKPIOH-INIZCTEOSA-N 345.399 2.329 50 50 EEGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C1[C@H]2CCCC[C@H]12 100045269 XNJQXVOJJPLFJV-QOEBVBOWSA-N 331.328 2.210 50 50 EEGA COC(=O)[C@@H](CC(C)C)NC(=O)c1c(C)nn(CCCl)c1C 170619169 VDOQITPXCUBNGK-GFCCVEGCSA-N 329.828 2.056 50 50 EEGA COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc(C)c2)c1 13610595 VGZYFAZNVMQUOL-UHFFFAOYSA-N 329.356 2.479 50 50 EEGA O=C(CCCSSc1ccccn1)ON1C(=O)CCC1=O 101782276 JSHOVKSMJRQOGY-UHFFFAOYSA-N 326.399 2.209 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1O 2379955 QKJYJASGNQPVCR-GIJQJNRQSA-N 347.758 2.143 50 50 EEGA O=C(COc1cccc2cccnc12)NNC(=O)Nc1ccccc1 4811067 QJJMRVDSIMGTOO-UHFFFAOYSA-N 336.351 2.467 50 50 EEGA O=C1c2sccc2[C@H](NC(=O)C(F)(F)F)[C@@H]1Br 1386555 JORNURPRWBYZSD-WHFBIAKZSA-N 328.109 2.428 50 50 EEGA COc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4123664 WPEOSHQNWZGDCB-ZWKOTPCHSA-N 345.406 2.050 50 50 EEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)n1 188488 SLMNEMFFRXAHAI-REZTVBANSA-N 344.396 2.065 50 50 EEGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 245226921 SPAIGCYAYRPRTJ-YUMWNCAUSA-N 333.344 2.282 50 50 EEGA COc1ccccc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 448560 RVSBSPGETDNVJL-RVZJCZPVSA-N 337.379 2.198 50 50 EEGA O=C(Cc1ccccc1)NNC(=O)c1cccc(Br)c1 299000 KIOJZLQEAFJOTR-UHFFFAOYSA-N 333.185 2.453 50 50 EEGA CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 2852652 MGCHMSHPXYBHTG-UHFFFAOYSA-N 341.323 2.084 50 50 EEGA Cn1c(SCC(=O)NNC2=NCCCCC2)nc2ccccc21 787812 SUOYELRWXRUCAW-UHFFFAOYSA-N 331.445 2.259 50 50 EEGA COc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccccc1O 5662169 PSKHDMRDNCLAFY-XDHOZWIPSA-N 341.367 2.270 50 50 EEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1 2892200 OHFLTMZJLVGSKF-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 74941450 BZKOUDZUFUTPKR-SNVBAGLBSA-N 339.804 2.448 50 50 EEGA O=C(CN1c2ccccc2C[C@@H]2CCCC[C@H]21)NNC(=O)C1CC1 2325740881 GDZOROIJKQNNDU-DOTOQJQBSA-N 327.428 2.165 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2573621 FVTFPEVCMMBVKN-WOJGMQOQSA-N 340.339 2.246 50 50 EEGA COc1cc(OC)cc(N2CCCN(C(=O)[C@@H](C)Cl)CC2)c1 1875364151 FULZZAOCDUEDPR-GFCCVEGCSA-N 326.824 2.370 50 50 EEGA Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NN)cc1 448712 IQOIZLPMYGTMHB-XNTDXEJSSA-N 329.787 2.409 50 50 EEGA O=C(Nc1cccc2ccccc12)c1ccc(B(O)O)c(Cl)c1 169744520 RQYJMRDKQGVAPQ-UHFFFAOYSA-N 325.560 2.425 50 50 EEGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 43761352 QADNWHJFFBGPKW-DJKKODMXSA-N 338.323 2.475 50 50 EEGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)ccc1O 12338702 CCQPMTNQJSXFRH-GIJQJNRQSA-N 340.339 2.456 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCCC3)cc1OC 12343169 IVFHNVGJYWDRTF-YBFXNURJSA-N 342.399 2.460 50 50 EEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc(Cl)c1 4287124 DWMGLCJQYKZJFV-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA C[C@@H]([C@H](F)C(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F 1875278962 MFBRPVJSBDNJKI-KWQFWETISA-N 335.301 2.050 50 50 EEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 281231 SDXLGWQGANTHJH-ZDUSSCGKSA-N 325.280 2.075 50 50 EEGA biogenic CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2383773 HTSRVVYEYKRGFP-YBFXNURJSA-N 344.802 2.495 50 50 EEGA COc1ccc(OCC(=O)N/N=C2\CCOc3ccccc32)cc1 43761365 ZRHOPONURZKUJY-KNTRCKAVSA-N 326.352 2.377 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN(c2cc(-c3ccccc3F)[nH]n2)CC1 1875377487 FPVMSRFEQCPWNW-LLVKDONJSA-N 336.798 2.492 50 50 EEGA CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1O 381189 RQKSFFXIANYWGG-XDHOZWIPSA-N 328.368 2.492 50 50 EEGA O=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C/c1cccc(O)c1 2141381 BSLZLRUVAKBMNP-DJKKODMXSA-N 346.774 2.317 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 3667179 DABVZSRHVMKIIJ-OAHLLOKOSA-N 341.323 2.406 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1cc(Br)cs1 55554716 MDBXYYCMNTUUTB-AWNIVKPZSA-N 348.291 2.010 50 50 EEGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(C)cc1)C(F)(F)F 2769398 DNNJZPZUNRYWFG-SKDRFNHKSA-N 339.697 2.007 50 50 EEGA COc1ccc(Br)cc1/C=N/NC(=O)c1cnccn1 381519 FLILUJVHWQCRMO-REZTVBANSA-N 335.161 2.012 50 50 EEGA C[C@H]1CN(C(=O)[C@@H](F)Cl)CCN1C(=O)Cc1cccc(Cl)c1 2325898066 RDQIOTUGFLCZSI-IINYFYTJSA-N 347.217 2.476 50 50 EEGA Cn1c(SCC(=O)N/N=C/c2ccccn2)nc2ccccc21 55587 SUCXEYNDNBTLKW-VCHYOVAHSA-N 325.397 2.211 50 50 EEGA O=C(NNC(=O)[C@@H]1CC(c2cccs2)=NO1)Nc1ccccc1 5774575 OPFBUSQBHNMDIA-LBPRGKRZSA-N 330.369 2.094 50 50 EEGA Cc1cccc(OCC(=O)NCCSSCCC(=O)O)c1 1875388898 UTZQHCKUUGBHMP-UHFFFAOYSA-N 329.443 2.346 50 50 EEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 100847040 TWRBWNXIGNUIAF-RGOWCBCBSA-N 341.198 2.346 50 50 EEGA COc1ccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)nc2)cc1 22996697 VVGFVVRRVXURTR-UHFFFAOYSA-N 339.273 2.184 50 50 EEGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 4209273 LRFSNMPOIDQBDO-UDWIEESQSA-N 341.342 2.479 50 50 EEGA C[C@@H](Cl)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 1875364325 NUVFOHWNMAAREE-IUODEOHRSA-N 337.851 2.419 50 50 EEGA C=CCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 100731027 OFHWVUGPIVKTOK-CIAFOILYSA-N 348.362 2.052 50 50 EEGA O=C(CCc1ccccc1)NNC(=S)NCCc1ccccc1 15873945 NYNANGQPCJQLGM-UHFFFAOYSA-N 327.453 2.357 50 50 EEGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccc([N+](=O)[O-])cc1 55770 MSAQFERSYLSCNE-LICLKQGHSA-N 329.360 2.408 50 50 EEGA COc1cc(OC)cc([C@@H](NC(=O)[C@@H](C)Cl)c2nccn2C)c1 1875364145 FQUVVVRHTMIVSH-QMTHXVAHSA-N 337.807 2.270 50 50 EEGA O=C(COc1ccc(F)cc1)NNC(=S)NC1CCCCC1 2543650 RHJLGPUDNITDOH-UHFFFAOYSA-N 325.409 2.033 50 50 EEGA CO[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C 257356180 GOEBWBYNAAWZLU-XHJNMGKDSA-N 348.512 2.261 50 50 EEGA CC1=CC(=O)/C(=C(/C)NNC(=O)/C(C)=C/c2ccccc2)C(=O)O1 227173147 OCEPEKNUOKMDFP-BNUVGFPPSA-N 326.352 2.014 50 50 EEGA CCCOc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 2027996 WSUBBGIMNCZSNZ-UHFFFAOYSA-N 342.351 2.248 50 50 EEGA CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1COc2ccccc2O1 1148213333 WWAHKXWHAJUPPA-INIZCTEOSA-N 342.351 2.126 50 50 EEGA O=C(O)CCSSCCNC(=O)c1cnc2ccncc2c1 1875388662 LBMOASPHZBBWMM-UHFFFAOYSA-N 337.426 2.216 50 50 EEGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 1960357 SQFUBVKQQKKJFV-YBFXNURJSA-N 339.351 2.284 50 50 EEGA C/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccccc1 4989654 MCPSIJXIOJERIH-RCCKNPSSSA-N 339.395 2.030 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1cccc(C(F)(F)F)c1 292581 LUXSKMIQMARLSS-GIJQJNRQSA-N 331.363 2.204 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccncc1 5713745 OYMKUYKEFFWUEB-QGMBQPNBSA-N 336.254 2.355 50 50 EEGA O=C(CCl)NCc1nc(-c2cccc(Br)c2)no1 1875375126 RSGSUOLFSAIUDL-UHFFFAOYSA-N 330.569 2.354 50 50 EEGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 283407 XLXVFWWYTQODIU-OAHLLOKOSA-N 337.335 2.125 50 50 EEGA COc1ccccc1OCC(=O)NNC(=S)Nc1cccc(F)c1 609399 ZKJQJBAKXDXXMZ-UHFFFAOYSA-N 349.387 2.231 50 50 EEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 100151746 SYBGWTNYQSJREC-LZUJDIRXSA-N 341.198 2.346 50 50 EEGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(Cl)cc1 2509120 CCFBHQKTXYUPSX-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA C#Cc1cccc(N(Cc2cc3n(n2)CCCO3)C(=O)CCl)c1 1875375383 AWGRHXNYNXRKMF-UHFFFAOYSA-N 329.787 2.419 50 50 EEGA C[C@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1Br 4772779 BSCJTUQIAQJPDB-BLTAXRJOSA-N 337.217 2.111 50 50 EEGA CCOc1ccc2ccccc2c1/C=N/NC(=O)CN1CCOCC1 19781856 PCOARJGTTOOMMK-DEDYPNTBSA-N 341.411 2.021 50 50 EEGA O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239309192 HGPVWMBJGZUJGG-DZDPUUJWSA-N 336.185 2.196 50 50 EEGA Nc1nonc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 275854 TWTZFIMQRHQNDH-REZTVBANSA-N 331.719 2.329 50 50 EEGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1 6397707 SLKJKUBNTBURHV-UDWIEESQSA-N 343.383 2.339 50 50 EEGA C=CC(=O)N1CC(C(=O)N2CC(CO[Si](C)(C)C(C)(C)C)C2)C1 1875333459 WCCMPBXLIZKQEZ-UHFFFAOYSA-N 338.524 2.111 50 50 EEGA O=C1c2ccccc2C(=O)N1O[C@@H](Br)CBr 335189 MSTHIBJEYYMCLI-MRVPVSSYSA-N 348.978 2.330 50 50 EEGA Cn1c(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc2ccccc21 137200995 CPYBXTDSJLYVHY-UHFFFAOYSA-N 333.351 2.172 50 50 EEGA CC(=O)N(N=c1oc(O)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 253496362 ZWFULRAOWOROEI-UHFFFAOYSA-N 340.295 2.310 50 50 EEGA COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(OC)c1OC 58413 JRDXNRXLXOQSPI-XDHOZWIPSA-N 328.368 2.405 50 50 EEGA N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)NCc1ccccc1 15685498 FOGUZHURLBRQHK-YBEGLDIGSA-N 336.347 2.373 50 50 EEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(O)cc1 4258816 DDHXJMLMABGPCM-WSDLNYQXSA-N 347.374 2.426 50 50 EEGA O=C(CN1c2ccccc2C[C@H]2CCCC[C@H]21)NNC(=O)C1CC1 2325740882 GDZOROIJKQNNDU-NVXWUHKLSA-N 327.428 2.165 50 50 EEGA CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2C)C1 170651591 DLIPRVBELYYFBC-CYBMUJFWSA-N 348.403 2.016 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1OC 267696 LUWLOSVILNSJSN-INIZCTEOSA-N 344.367 2.349 50 50 EEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(C(C)C)n[nH]1 9320771 HRNWYLVKVYXYNG-GIJQJNRQSA-N 346.387 2.323 50 50 EEGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)c1O 56093 IJWWDITUHAOZFR-RQZCQDPDSA-N 326.312 2.148 50 50 EEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OC 488765 XWFJZLMEJWQODW-HNNXBMFYSA-N 340.335 2.184 50 50 EEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 100151749 SYBGWTNYQSJREC-GBYSLYJZSA-N 341.198 2.346 50 50 EEGA CCN1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 15658558 BTKBPRDHJMENNJ-OBGWFSINSA-N 338.323 2.095 50 50 EEGA COc1ccc(C(=O)NNC(=O)Nc2cc(OC)ccc2OC)cc1 2167440 FSEOHJUYOYQNGH-UHFFFAOYSA-N 345.355 2.179 50 50 EEGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(C)=O)cc2OC)cc1 4259012 OEBFWXNJVCWQCH-YBFXNURJSA-N 342.351 2.393 50 50 EEGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 1430758 OJTRJPRUWKBUHS-JTQLQIEISA-N 329.360 2.138 50 50 EEGA Cc1ccc2[nH]cc(CCC(=O)NNc3c(C#N)c(C)nn3C)c2c1 1875344330 CKBJFMZSIMQVLZ-UHFFFAOYSA-N 336.399 2.466 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1ccccc1C(F)(F)F 4990473 JJTXKSYXPRVMOT-GIJQJNRQSA-N 331.363 2.204 50 50 EEGA CN1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1 22812307 VOPFQJOEZVZZEQ-UHFFFAOYSA-N 328.396 2.248 50 50 EEGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1ccco1 6825609 IBJSBPGGHOZFFE-UHFFFAOYSA-N 339.398 2.068 50 50 EEGA Cn1ncc(Cl)c1C(=O)NNC(=O)Nc1ccc(Cl)cc1 17067159 YDPFDBGNLJWBFZ-UHFFFAOYSA-N 328.159 2.193 50 50 EEGA CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNC(=O)CCl 1875369822 KRHQBPMIVTYCKE-GFCCVEGCSA-N 326.771 2.376 50 50 EEGA COc1ccc(NC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 363761 JFOZFYPBIYNWCB-UHFFFAOYSA-N 335.385 2.019 50 50 EEGA Cc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)s1 20026607 SWANVEDSTWQXCM-HOCLYGCPSA-N 335.436 2.412 50 50 EEGA C[C@H](Cl)C(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 1875379975 BEVXLJRIWKJKOZ-IUCAKERBSA-N 327.793 2.325 50 50 EEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1 4457880 WRWSKWAELGNZRB-HOTGVXAUSA-N 335.436 2.493 50 50 EEGA N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1 3116976 XCUXMWLYXBEUQO-HUUCEWRRSA-O 326.763 2.375 50 50 EEGA COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OC(C)=O 314532 JMVHYNHXONPRMN-LICLKQGHSA-N 332.381 2.375 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)CCn2nnc3ccccc32)cc1 33323779 OKKPLZXLABKPEQ-CPNJWEJPSA-N 337.383 2.370 50 50 EEGA O=C(CCCCCO)NNC(=O)Nc1cccc(C(F)(F)F)c1 2166027 UCRBCAXPMJDKIP-UHFFFAOYSA-N 333.310 2.411 50 50 EEGA O=C(NCCCCCCNC(=O)OCCCl)OCCCl 4776528 YKGQXJWJKUBGNN-UHFFFAOYSA-N 329.224 2.477 50 50 EEGA Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2cn(C)nc2C)cc1 2794645 JIGSCIPDGCYFJB-KGLIPLIRSA-N 343.456 2.158 50 50 EEGA O=C(CCl)N1CCN(Cc2noc(C3CCCCC3)n2)CC1 1875374891 INOMIYWNYNMJIT-UHFFFAOYSA-N 326.828 2.000 50 50 EEGA N#CC1=C(N)N=C(S)[C@@H](C(N)=O)[C@@H]1c1ccc(Cl)cc1Cl 218507 UZHSBSIQKNYBSL-NXEZZACHSA-N 341.223 2.214 50 50 EEGA C=CCNC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 5631206 BDJIXAGZBHJOMD-UHFFFAOYSA-N 334.228 2.054 50 50 EEGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc([N+](=O)[O-])cc1 12343170 DJZMYCGFNGOTSH-LICLKQGHSA-N 327.344 2.351 50 50 EEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 2901407 YHWLFOCBRYPHCK-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA N#CC1=C(N)N=C(S)[C@@H](C(N)=O)[C@H]1c1ccc(Cl)cc1Cl 218513 UZHSBSIQKNYBSL-VHSXEESVSA-N 341.223 2.214 50 50 EEGA N#C/C(=C/c1ccccc1S(=O)(=O)O)S(=O)(=O)c1ccccc1 32695841 BSAFGMVTLHNTMZ-UVTDQMKNSA-N 349.389 2.272 50 50 EEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 179321 MEXBVBHWWISCKP-LZYBPNLTSA-N 345.384 2.244 50 50 EEGA CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)C(Cl)Cl)cc1 4820566 UPFHZUTZOJIJJT-UHFFFAOYSA-N 325.173 2.094 50 50 EEGA O=C(O)CCSSCCNC(=O)COc1ccccc1F 1875388587 HRMFYFRZBNGAEP-UHFFFAOYSA-N 333.406 2.177 50 50 EEGA COc1cc(/C(C)=N/NC(=O)c2n[nH]c3c2CCCC3)ccc1O 71782630 VVLGEOPXYOZABA-VCHYOVAHSA-N 328.372 2.157 50 50 EEGA O=C(CCl)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1875370336 KTPAJZUJQWSPOJ-NSHDSACASA-N 340.773 2.265 50 50 EEGA C[C@H](Cl)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 1875363659 PVRBBXGYRFAUGB-JTQLQIEISA-N 346.761 2.200 50 50 EEGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(O)c1 433173 RTOLEBPWECMGFN-ACRNLXFHSA-N 341.411 2.422 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2543901 QORWMVLPCIYSHC-WOJGMQOQSA-N 340.339 2.246 50 50 EEGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 121896 XXVWPZZGYGFZBA-NSHDSACASA-N 334.372 2.461 50 50 EEGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)c1 4302792 UHYMOIVDDHBEPW-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA C[C@H](Cl)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 1875364365 LWQYBJNTOYZXEL-AWEZNQCLSA-N 332.835 2.144 50 50 EEGA Cc1ccc(Cn2cc(C(=O)NN)c(=O)c3ccc(F)cc32)cc1 1389054 ZCJIUGRXQPCVPN-UHFFFAOYSA-N 325.343 2.101 50 50 EEGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 4544403 ZJJNLYJDTDDBFZ-WYRKQZDXSA-N 341.411 2.153 50 50 EEGA N#Cc1ccc(S(=O)(=O)CCN2CCSSCC2)cc1 380292350 FROVWQLXNHXLNP-UHFFFAOYSA-N 328.484 2.029 50 50 EEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1Cl 4230099 FHPFOVISEQBHAX-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 225926 IVJBRTMGUFABFH-LICLKQGHSA-N 329.312 2.376 50 50 EEGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1c(O)cc(C)oc1=O 5022764 LVMGKGGLFMBMBJ-VIGDKKSZSA-N 326.352 2.298 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2566445 DGTDJZDBFJWOKI-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 2892236 DSDOXMOZOHYICO-RGVLZGJSSA-N 345.786 2.115 50 50 EEGA Cc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)[nH]n2)o1 6622220 RKSYADGFYVHOME-UHFFFAOYSA-N 335.323 2.064 50 50 EEGA C[C@]1(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1Br 243932064 BSCJTUQIAQJPDB-OXIQGZBJSA-N 337.217 2.111 50 50 EEGA O=C(CNC(=O)NCc1ccccc1)N/N=C/c1ccc(Cl)cc1 4828663 AAIJFLPJLMKWCU-SRZZPIQSSA-N 344.802 2.290 50 50 EEGA C[C@@H](Cl)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 1875364637 PCGIZXRJSDFZRW-LLVKDONJSA-N 325.792 2.207 50 50 EEGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccnc1 182652 IKSQLSIBENYRML-CQSZACIVSA-N 329.315 2.223 50 50 EEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1 13635640 WRWSKWAELGNZRB-HZPDHXFCSA-N 335.436 2.493 50 50 EEGA Cc1ccc(NC(=S)NNC(=O)c2nn(C)c(C)c2Cl)cc1 13470860 WVGMLLDEEJVRGJ-UHFFFAOYSA-N 337.836 2.322 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2572297 WSOWMOAMFFUVGT-WOJGMQOQSA-N 340.339 2.246 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 373088 IXECRYIURURBIM-HUUCEWRRSA-N 330.384 2.238 50 50 EEGA Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(F)c2)c(C)c1 15933846 JRLBDPFBOQLFMK-UHFFFAOYSA-N 337.376 2.458 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1 4330126 OJSNKRYDUOGDSV-YBFXNURJSA-N 341.367 2.101 50 50 EEGA O=C(N/N=C\c1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 32609484 UTORJRLFJGUAGX-MKYLKIGJSA-N 341.386 2.349 50 50 EEGA Cc1cc(C(=O)N/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc23)n[nH]1 434964 XGQUSIKDYMKCOK-CAOOACKPSA-N 339.311 2.249 50 50 EEGA O=C(O)CCSSCCNC(=O)c1cc2c(O)cccc2[nH]1 1875388756 PDUFMEIKFZMIHW-UHFFFAOYSA-N 340.426 2.459 50 50 EEGA C/C(=N\NC(=O)c1c(Br)cnn1C)c1cccs1 17066909 LUKJSIYFNHJVCZ-VGOFMYFVSA-N 327.207 2.398 50 50 EEGA O=C(CCl)N(CCCO)Cc1ccc(Br)s1 1875382061 PJIFBPCSQHKYHQ-UHFFFAOYSA-N 326.643 2.460 50 50 EEGA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(B(O)O)c1 169744096 QBXYLSUKPFQIGC-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA O=S(=O)(CCCCl)NC1CCN(Cc2ccccc2)CC1 6927369 NSTVHCVUHYDBAS-UHFFFAOYSA-N 330.881 2.199 50 50 EEGA O=C(CCl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 4218532 YOAOUBWHISOROG-UHFFFAOYSA-N 330.837 2.429 50 50 EEGA COC(=O)N1C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 230113588 UOXRQXOWNBYVAE-DKXJUACHSA-N 327.016 2.374 50 50 EEGA CC(C)[C@@H]1CC[C@H](C)[C@H]([C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O 239347181 MGXQEUVYHVTMNX-VFSPDHHESA-N 338.411 2.233 50 50 EEGA CN(NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)OC(C)(C)C 888099680 UVZFZVXMNYGINT-UHFFFAOYSA-N 346.391 2.230 50 50 EEGA C#CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1ccccc1 4594171 WLYXUOQLLYNRQF-LBPRGKRZSA-N 335.392 2.002 50 50 EEGA O=C(Cc1c(F)cccc1Cl)NNC(=S)NCc1ccco1 611261 SEDQYOLMSGHLOE-UHFFFAOYSA-N 341.795 2.310 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 2910298 OSTKHGACVAUYJW-YBFXNURJSA-N 325.368 2.401 50 50 EEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4168444 NJCCSFQPVKKHBU-LJQANCHMSA-N 335.363 2.244 50 50 EEGA CCn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(O)c2ccccc21 299738145 BGWQIHXWGLKQJV-UDWIEESQSA-N 335.363 2.491 50 50 EEGA O=C(N/N=C/c1ccc(O)cc1)c1ccc[n+](Cc2ccccc2)c1 5737208 QXERSDLJLDEPIZ-UHFFFAOYSA-O 332.383 2.492 50 50 EEGA O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cccn2)o1 32573592 DCYOXQWUFSETEH-YVLHZVERSA-N 339.311 2.197 50 50 EEGA COc1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1OC 13468942 IJVGGGVALAHMOU-UHFFFAOYSA-N 327.406 2.430 50 50 EEGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c(OC)c1 5403212 FPGCGSQNNAVYEA-VCHYOVAHSA-N 328.372 2.070 50 50 EEGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 4770984 HVXSXZNJXTURRO-CQSZACIVSA-N 342.376 2.072 50 50 EEGA CCc1ccc(OCC(=O)NNC(=S)NC2CCCCC2)cc1 2561700 KEFPUROPNZOYIN-UHFFFAOYSA-N 335.473 2.456 50 50 EEGA C[C@@H]1CN(C(=O)[C@H](F)Cl)CCN1C(=O)Cc1cccc(Cl)c1 2325898068 RDQIOTUGFLCZSI-YGRLFVJLSA-N 347.217 2.476 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 2900111 UZJAAKOLYLYBKM-KZKLBEMASA-N 325.368 2.023 50 50 EEGA CCOc1cc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)ccc1O 55875 MAYMNWVGCPSTBD-VCHYOVAHSA-N 328.372 2.157 50 50 EEGA C[C@H](Cl)C(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1875364861 WNFGAVXYLIDFRA-HBNTYKKESA-N 334.844 2.490 50 50 EEGA COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 100427569 PCBQOEZIEBAWPR-SXGWCWSVSA-N 344.283 2.276 50 50 EEGA O=S1(=O)C[C@@H](Cl)[C@@H](/N=C(\Cl)C(Cl)(Cl)Cl)C1 100834349 PTZPPDSDYQMOKF-ZFYGGKRUSA-N 333.451 2.398 50 50 EEGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(C)cc1)C(F)(F)F 2769395 DNNJZPZUNRYWFG-JOYOIKCWSA-N 339.697 2.007 50 50 EEGA Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2c(C)cccc21 18154686 YCWVOYNUZSWBMK-FXBPSFAMSA-N 337.379 2.179 50 50 EEGA CC1=C(C(=O)N(C)C)C(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 257540395 MSMXEHWBMHQPDW-UHFFFAOYSA-N 329.363 2.230 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(C)=O 62363 WROLEQUQGACRPT-VCHYOVAHSA-N 328.324 2.090 50 50 EEGA CCOc1cc(/C=N/NC(=O)c2ccc(O)c(OC)c2)ccc1O 2166328 WXCHSVGJEOPMHT-VCHYOVAHSA-N 330.340 2.269 50 50 EEGA O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccn1 5074177 VBPRHBYOVQXVFI-UNOMPAQXSA-N 339.355 2.354 50 50 EEGA O=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1CCC2 5297481 CZUQLYVXKGBWEB-LZYBPNLTSA-N 333.189 2.425 50 50 EEGA O=C(N/N=C/c1ccc(O)cc1O)c1cc[n+](Cc2ccccc2)cc1 436436 VHETXFCTBMNACV-UHFFFAOYSA-O 348.382 2.198 50 50 EEGA CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 276334 LBFUBGWYBRGUGC-UHFFFAOYSA-N 325.368 2.418 50 50 EEGA CCOC(=O)c1c(C)[nH]c(C(=O)NNc2cccc([N+](=O)[O-])c2)c1C 178860857 BNZNSTMCGVRTCC-UHFFFAOYSA-N 346.343 2.473 50 50 EEGA COc1ccc(CNC(=O)CCl)cc1COC1CCOCC1 1875364042 HOGXQDYOMKNZOI-UHFFFAOYSA-N 327.808 2.246 50 50 EEGA Cc1nn(C)c(NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1C#N 1875345378 YRAGXQTXEPWVOM-VHSXEESVSA-N 329.326 2.412 50 50 EEGA CC(C)C1=NO[C@@H](C(=O)NNc2cncc(Br)c2)C1 2325784993 XVROZXSLRXMGDC-LLVKDONJSA-N 327.182 2.088 50 50 EEGA Cc1nc(C(F)(F)F)c(C(=O)NNC(=N)c2cccnc2)s1 1396864 JNLRHJSRCGDGQG-UHFFFAOYSA-N 329.307 2.125 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 3008750 MXAYMMKLVBIIAQ-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA CN(C)/C=N/NC(=O)CSc1cc(C(F)(F)F)cc(Cl)n1 263624248 ORTBZTIHPJSWQA-OMCISZLKSA-N 340.758 2.467 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2544518 XKKDMXJLGCYUGL-DEDYPNTBSA-N 338.411 2.404 50 50 EEGA C[C@]1(O)NC(S)=C(C#N)[C@H](c2ccc(F)cc2)[C@H]1[n+]1ccccc1 2049513478 CYNBNXYDGUFLLE-LZLYRXPVSA-O 342.419 2.415 50 50 EEGA C=CCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 2906856 NCZLGMSYXDSPTK-YBFXNURJSA-N 328.397 2.284 50 50 EEGA CCOC(=O)/C(=N\Nc1ccccc1C)C(=O)OCBr 4530174 ZVYHPLQTDOHBLV-LFIBNONCSA-N 343.177 2.222 50 50 EEGA C#CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 2544520 XLBXGRDHMPTNBH-DEDYPNTBSA-N 335.363 2.096 50 50 EEGA N#CC(C#N)=C1NC(=C(C#N)C#N)C(C#N)=C(c2ccccc2)C1=C=N 408710526 PDGPBADKIKDNHR-UHFFFAOYSA-N 333.314 2.344 50 50 EEGA CC(C)C1=NO[C@H](C(=O)NNc2cncc(Br)c2)C1 2325784994 XVROZXSLRXMGDC-NSHDSACASA-N 327.182 2.088 50 50 EEGA O=C(NC1CCCCC1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 245242245 QLBNPROECXKSMD-GRRRKWKPSA-N 342.233 2.006 50 50 EEGA COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1OC 505850 NMAFOTFIMHUMSK-YBFXNURJSA-N 344.367 2.485 50 50 EEGA COc1cc(/C=C(\C#N)C(=O)NC2CC2)c(Br)cc1O 194855765 BVGWXYFDFHPFTP-RUDMXATFSA-N 337.173 2.349 50 50 EEGA C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1ccc(O)cc1O 100631093 LTVWPPSHIDIMBA-KEBDBYFISA-N 345.330 2.371 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(NC(C)=O)cc1 283125 RIRSBKGQIDCFFJ-MRXNPFEDSA-N 341.367 2.290 50 50 EEGA C[C@H]1CN(c2cccc(CN(C)C(=O)[C@H](C)Cl)c2)S(=O)(=O)C1 1875366394 GXNOMLOLCWNNHH-RYUDHWBXSA-N 344.864 2.058 50 50 EEGA Cc1nn(C)c(NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C#N 1875345376 YRAGXQTXEPWVOM-NXEZZACHSA-N 329.326 2.412 50 50 EEGA O=C(Cn1cnc2ccccc2c1=O)NN=C/C=C/c1ccccc1 245241719 NRPPWZDKCDKKRK-LHQULTAUSA-N 332.363 2.212 50 50 EEGA CCOc1ccc(NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 252267 JXDWMHKEBARKAW-VXLYETTFSA-N 329.356 2.059 50 50 EEGA O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1F 5041546 UHHOTMFYWYCTHJ-UHFFFAOYSA-N 334.332 2.365 50 50 EEGA CC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 441071 RZQIXRBIDPIUTO-UHFFFAOYSA-N 345.786 2.302 50 50 EEGA CC1=C(C)C[C@H](C(=O)NNC(=O)c2sccc2C)[C@@H](C(=O)O)C1 4651633 GXHBZGYZAROOCZ-RYUDHWBXSA-N 336.413 2.265 50 50 EEGA CCOc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1O 440698 AVDRYEPOPWFEDG-VCHYOVAHSA-N 331.397 2.428 50 50 EEGA Cc1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 15658617 VYZIMAXTFFGLMD-UHFFFAOYSA-N 329.381 2.100 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1875364080 CFVYRSDQKOKMGT-SNVBAGLBSA-N 334.763 2.082 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 55382 IGOZQGBOETZFPT-CQSZACIVSA-N 329.312 2.240 50 50 EEGA COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1 2059277 KONSPURLXVEUFY-INIZCTEOSA-N 328.368 2.266 50 50 EEGA Cc1c(Br)c(C(=O)N/N=C/c2ccsc2)nn1C 355622 YHXAJEKZTUQFJT-WLRTZDKTSA-N 327.207 2.316 50 50 EEGA O=C(NNC(=O)[C@@H]1CCO[C@H](c2cccc(F)c2)C1)c1ccccn1 2325799588 JZMBIVJSWSNRKM-CJNGLKHVSA-N 343.358 2.150 50 50 EEGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1O 34876 RLVNFFJUKITEDP-HNNXBMFYSA-N 342.351 2.224 50 50 EEGA COc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)cc2)cc1 171906 MJPDRYVAZFJHKI-GDAWTGGTSA-N 326.356 2.371 50 50 EEGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)c1cccc([N+](=O)[O-])c1 5730759 LHQCYAPWFOEQHT-JXAWBTAJSA-N 338.323 2.014 50 50 EEGA CN(C)c1cccc(C(=O)N/N=C/c2ccc([S@](C)=O)cc2)c1 1875262973 CKINEGPDWWFYHG-SJQUQUAPSA-N 329.425 2.254 50 50 EEGA C[C@@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccco2)C(=O)N1c1ccccc1 229907841 RDSCIAYTGWBRRV-RTSVQFOCSA-N 335.363 2.497 50 50 EEGA COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1 290046 HFXSUAZGKSHCHS-UHFFFAOYSA-N 348.786 2.497 50 50 EEGA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)OC2=O 109412328 MZIJASLAYCWBBD-UHFFFAOYSA-N 342.219 2.045 50 50 EEGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 36202 WOGDDRTXCMEMRD-ZDUSSCGKSA-N 325.280 2.075 50 50 EEGA biogenic CC1(O)CCN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)CC1 1294853477 ZCJRZDYFQBWKEO-CJNGLKHVSA-N 338.245 2.465 50 50 EEGA CCOc1ccc(NCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 524749 CSGLSTNORFHXGB-RGVLZGJSSA-N 343.383 2.362 50 50 EEGA N#C/C(=C\c1c(F)cccc1Cl)c1nn(CCO)c(N)c1C#N 4380172 OFRYOPUBMUSTAE-RMKNXTFCSA-N 331.738 2.186 50 50 EEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(OC)c1 500713 XAQZIUMSZCVVBP-OAHLLOKOSA-N 340.335 2.184 50 50 EEGA CC(=O)O[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238371 MALAWQUOUSCHNB-VZFHVOOUSA-N 325.636 2.381 50 50 EEGA O=C(NC1CCCCC1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 245242244 QLBNPROECXKSMD-DZDPUUJWSA-N 342.233 2.006 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 3008966 GYDHDOJLLXDFPT-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 36183 OWNUPBHMJRSEAG-AWEZNQCLSA-N 329.312 2.240 50 50 EEGA Cc1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(C)s2)s1 6034326 NRVCPAHIQCDJRN-GONBZBRSSA-N 348.453 2.417 50 50 EEGA Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)nc2n1 131895 YHMARPLXZMLNQS-CAOOACKPSA-N 328.763 2.158 50 50 EEGA CCOc1cccc(/C=N\NC(=O)Cn2cnc3ccccc32)c1O 12412388 GFMFLOKWTUTSAC-JMIUGGIZSA-N 338.367 2.291 50 50 EEGA CC(C)Oc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 2892372 BQGNZBQKBCKEJC-XDHOZWIPSA-N 331.416 2.373 50 50 EEGA O=C(Cc1c[nH]c2ccccc12)NNC(=S)NCc1ccccc1 2582372 URPOBMRIFAVHMB-UHFFFAOYSA-N 338.436 2.406 50 50 EEGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 2553793 CBAJZNRMLICGKK-CIAFOILYSA-N 339.395 2.274 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Nc1ccccc1 2892531 VDTWMPQDRXLFCR-OVCLIPMQSA-N 345.271 2.364 50 50 EEGA CCO[C@H](C)C(=O)NNc1cc(C(=O)OC)ccc1Br 293904837 FRAKVOBJRSAFQD-MRVPVSSYSA-N 345.193 2.104 50 50 EEGA Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)CCl 1875366577 YGDBDVZDTIOHCW-SNVBAGLBSA-N 339.745 2.201 50 50 EEGA C[C@H](O)C[C@H](C)N(Cc1cccc2nsnc12)C(=O)CCl 1875381832 IZWNOUJOTIWHPC-UWVGGRQHSA-N 327.837 2.418 50 50 EEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 58982 VLCOBHOTUOZHOE-VEJKBTLKSA-N 333.731 2.432 50 50 EEGA O=C(NNS(=O)(=O)c1ccccc1)c1ccccc1-n1cccc1 1394370 SZZWDRIFHODKBD-UHFFFAOYSA-N 341.392 2.101 50 50 EEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1 193182 YMCYXHWRGNWJLP-INIZCTEOSA-N 327.409 2.190 50 50 EEGA Cc1ccc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 338129 CBCSHGVFQOYMIZ-UHFFFAOYSA-N 339.424 2.325 50 50 EEGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@@H](O)c1ccccc1 354721 GLSFRISXRPXMNB-AOVQIXHVSA-N 332.743 2.252 50 50 EEGA COC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2)cc1 13518953 UJFCIOTZSVBKRG-UHFFFAOYSA-N 329.381 2.105 50 50 EEGA COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 3576416 OTRJLJBBHNDIBF-YBFXNURJSA-N 344.367 2.485 50 50 EEGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1O 282974 CXQOLGOHAUGGBE-OAHLLOKOSA-N 340.335 2.271 50 50 EEGA CC1(O)CCN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)CC1 1294853479 ZCJRZDYFQBWKEO-XJKSGUPXSA-N 338.245 2.465 50 50 EEGA C[C@H](Cl)C(=O)N1CCN(CCOc2ccc3c(c2)CCC3)CC1 1875364051 HRQGJQJGKBZWFE-AWEZNQCLSA-N 336.863 2.326 50 50 EEGA CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)C[C@@H](C)C1 377504 BFCUIWBHYFBFLI-LLVKDONJSA-N 345.399 2.202 50 50 EEGA CCOc1cc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)ccc1O 55865 NQLZLZSUMLFORD-VCHYOVAHSA-N 330.388 2.214 50 50 EEGA C[C@H](Cl)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 1875377482 FKDOIRIFIBJRJA-LEWSCRJBSA-N 331.243 2.455 50 50 EEGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1O 34877 RLVNFFJUKITEDP-OAHLLOKOSA-N 342.351 2.224 50 50 EEGA COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1 2059278 KONSPURLXVEUFY-MRXNPFEDSA-N 328.368 2.266 50 50 EEGA Cn1cc(C(=O)NNC(=S)NCc2ccco2)c2ccccc21 612022 CTZJYWPNDXUCOZ-UHFFFAOYSA-N 328.397 2.080 50 50 EEGA O=C(CCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 1885449 FICGDTHOVPXYML-OZNQKUEASA-N 336.395 2.457 50 50 EEGA O=[N+]([O-])O[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245296647 NDEIAEDRWXLTEG-QTBDOELSSA-N 328.596 2.026 50 50 EEGA C[C@H](Cl)C(=O)N1CCn2c(Cc3c(F)cccc3F)nnc2C1 1875380441 OZMIJNGCLHISPX-VIFPVBQESA-N 340.761 2.117 50 50 EEGA C[C@H]1CCCN(c2cc(C(=O)NNC(=O)c3ccccc3)ccn2)C1 291044326 YRVDYEWWMDQHLK-AWEZNQCLSA-N 338.411 2.393 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN(CCOc2ccc3c(c2)CCC3)CC1 1875364053 HRQGJQJGKBZWFE-CQSZACIVSA-N 336.863 2.326 50 50 EEGA CCOP(=O)(CC(=O)NNC(=O)Nc1ccccc1)OCC 2896705 SVFBVKHVCKYYTC-UHFFFAOYSA-N 329.293 2.105 50 50 EEGA CCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 291105 PYMZMXBJODYBHS-HDZGYNCQSA-N 326.352 2.375 50 50 EEGA CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)C1(C)C 252679217 JOPJICPNUMBGPQ-FVQBIDKESA-N 328.412 2.376 50 50 EEGA Cc1ccc(NC(=O)C(=O)NN(C)c2nc3ccccc3[nH]2)cc1C 5317250 PKCKYMKQHGLHLW-UHFFFAOYSA-N 337.383 2.286 50 50 EEGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1O 2571769 LHZAPCAVMNVKID-VXLYETTFSA-N 345.330 2.019 50 50 EEGA CC(C)(C)OC(=O)NC(C)(C)C(=O)OCI 222142118 RRDLQMIPFCVQJB-UHFFFAOYSA-N 343.161 2.225 50 50 EEGA O[C@]1(c2ccccc2)[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](O)([C@H]5Br)[C@H]24 239402946 RIHUMCWCXXFECL-MYABDABISA-N 333.225 2.140 50 50 EEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1O 2383771 JGVJTOOOCFRYOQ-GIJQJNRQSA-N 347.758 2.143 50 50 EEGA C[C@H](Cl)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 1875364638 PCGIZXRJSDFZRW-NSHDSACASA-N 325.792 2.207 50 50 EEGA O=S1(=O)[C@H]2C=C[C@H]1CC[C@@H](Br)[C@H]2Br 104188326 GVCCYCIGPUUNOH-OOJXKGFFSA-N 330.041 2.029 50 50 EEGA CC(=O)NC1(NC(C)=O)[C@@H](Br)[C@H]2C[C@H]1[C@H](C)C2(C)C 104202794 PZUFEEFEZRVVMO-VKZDFBPFSA-N 331.254 2.030 50 50 EEGA COc1cc(C(=O)NNc2ncccn2)sc1Br 129900825 RZBNRCZLMQIMOI-UHFFFAOYSA-N 329.179 2.066 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2566431 WAWVOVIPFIBHSI-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 44287 FLWGLQUNJRHGRE-OAHLLOKOSA-N 340.335 2.184 50 50 EEGA COc1cc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc(OC)c1OC 9176071 YDFZVJFUPHFWSH-GIJQJNRQSA-N 346.387 2.323 50 50 EEGA COc1nsnc1NS(=O)(=O)c1ccc(N=C=S)cc1 63772515 VBINOTNIVPBALT-UHFFFAOYSA-N 328.400 2.082 50 50 EEGA CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 146769 XARJZPRROODHKA-LICLKQGHSA-N 329.312 2.463 50 50 EEGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(C)cc1 478794 XDIXFEDCGKCIBL-VXLYETTFSA-N 327.340 2.225 50 50 EEGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C1/C(=O)Nc2ccccc21 5911955 JEKAXOQIYDNDQL-LBPRGKRZSA-N 347.378 2.145 50 50 EEGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1 4283329 RLXDVZWTZYRKTR-YBFXNURJSA-N 345.424 2.417 50 50 EEGA C[C@@H](Cl)C(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 1875379976 BEVXLJRIWKJKOZ-RKDXNWHRSA-N 327.793 2.325 50 50 EEGA CC(C)(C)OC(=O)N(Cc1ccc(B(O)O)c(F)c1)C1CCCC1 230552117 QBYHISJKBGZKQT-UHFFFAOYSA-N 337.200 2.185 50 50 EEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 2892315 ULFBEMVVYAFIJZ-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA CCc1ncc(Cl)c(C(=O)NCCSSCCC(=O)O)n1 1875388547 GDCFZLOYLBEHQU-UHFFFAOYSA-N 349.865 2.278 50 50 EEGA CCOc1ccc([C@@H]2C(C#N)=C(SC)NC(=O)[C@H]2C(=O)OC)cc1 9110912 MSOQPVKRGLIIEG-KGLIPLIRSA-N 346.408 2.186 50 50 EEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1Cl 95921768 GQOPJONGLSGGOS-CYBMUJFWSA-N 330.727 2.004 50 50 EEGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 5662100 GHNIPLIXFGWZNB-KEBDBYFISA-N 345.786 2.229 50 50 EEGA C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1 19913134 FXMIDNBKGSCFSM-XDHOZWIPSA-N 337.339 2.485 50 50 EEGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2903205 AWMDHBUPSGTVJS-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA C[C@@H]1CN(C(=O)C(Cl)Cl)[C@H](C)CN1C(=O)C(Cl)Cl 370542 SDOONCCYDHUSEZ-PHDIDXHHSA-N 336.046 2.042 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)ccc1OC 81070 MGKPGMYFBZIWHH-INIZCTEOSA-N 344.367 2.349 50 50 EEGA NNC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1 4024779 YFOFDCFZISLFNJ-UHFFFAOYSA-N 331.173 2.367 50 50 EEGA Cc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19898205 ASJZAKZZFDGAMX-QZTJIDSGSA-N 329.407 2.350 50 50 EEGA C[C@@H](c1ccccc1N1CCCS1(=O)=O)N(C)C(=O)[C@@H](C)Cl 1875366402 HBARZAVCGOTFCM-NEPJUHHUSA-N 344.864 2.373 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccoc2C)c([N+](=O)[O-])cc1OC 437771 VHRWYORLGJVRPZ-LZYBPNLTSA-N 333.300 2.277 50 50 EEGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccn1 437930 CLOZMIQNMSWSMT-REZTVBANSA-N 348.156 2.337 50 50 EEGA C[C@H](Cl)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 1875377581 HPPBALMNYBJMLW-RDJZCZTQSA-N 335.879 2.032 50 50 EEGA NNC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 35752 XBTNRNUKBRUSJN-UHFFFAOYSA-N 327.291 2.080 50 50 EEGA C#CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(CC)cc1 2543839 DORHGDQQDWCNRQ-KGENOOAVSA-N 349.390 2.350 50 50 EEGA Cc1nn(C)c(NNC(=O)/C=C/c2nc3ccccc3s2)c1C#N 1875350032 YHVQEBTVDVUFHV-BQYQJAHWSA-N 338.396 2.366 50 50 EEGA O=C1NCCc2cc(Br)c(NC(=O)[C@@H](F)Cl)cc21 2325901811 ZQGOPGKXHLLQID-SECBINFHSA-N 335.560 2.208 50 50 EEGA CC(C)[C@@H]1CC[C@H](C)[C@@H]([C@@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O 229219717 MGXQEUVYHVTMNX-FIIQBIKZSA-N 338.411 2.233 50 50 EEGA O=C(NNC(=S)NC1CCCCC1)Nc1cccc([N+](=O)[O-])c1 611754 BUZIBLQPQLIAOO-UHFFFAOYSA-N 337.405 2.428 50 50 EEGA O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSSCC2)c1 888092925 OLQORVUEDLQYEH-GFCCVEGCSA-N 330.431 2.032 50 50 EEGA C/C(=N\NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccn1 375436 YUZAKZNLTPXJGT-HWQJWEFDSA-N 328.328 2.298 50 50 EEGA CNC(=S)NNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1 17068595 RZXSYSILOMSKCF-UHFFFAOYSA-N 333.413 2.214 50 50 EEGA O=S1(=O)[C@H]2CC[C@H](Br)[C@@H](Br)[C@H]1CC2 101037945 RFFHTJJMSBLMPU-RULNZFCNSA-N 332.057 2.253 50 50 EEGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 370710 GNMVXYQQWVQPBM-ZGXHQARYSA-N 338.323 2.384 50 50 EEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1O 3148401 APYNDJLIUXKZLD-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(Br)cc1 2571835 SOCCBOHWSLJARB-OVCLIPMQSA-N 336.145 2.131 50 50 EEGA C[C@H]1CCc2sc(C(=O)NNC(=O)c3ncccc3F)cc2C1 854240380 KQPDQOMVWLENKO-VIFPVBQESA-N 333.388 2.482 50 50 EEGA CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@H](CNC(=O)CCl)C1 1875367956 DCJXXYXCRHGRKA-MLGOLLRUSA-N 346.855 2.005 50 50 EEGA CCCc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 5095066 QFDSVQRPGBAPSJ-CYBMUJFWSA-N 325.328 2.489 50 50 EEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccc1C(F)(F)F 100151680 SRGUQQPTILLCLK-YTTILGKYSA-N 340.305 2.058 50 50 EEGA CC1CCN(/C(N)=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 221914659 KLRDAYLRXHPVSS-CCEZHUSRSA-N 339.848 2.497 50 50 EEGA COc1cc(Br)c(CCNC(=O)CCl)cc1OC 160411 VBUILJBTQPIVBH-UHFFFAOYSA-N 336.613 2.364 50 50 EEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1 809374 IRIXRVUJOJCFFU-GOEBONIOSA-N 349.419 2.020 50 50 EEGA N#CC1=C(O)NC(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1 3116975 XCUXMWLYXBEUQO-CABCVRRESA-O 326.763 2.375 50 50 EEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1c(Cl)cccc1Cl 100151705 GVDIXRLFARVMNE-KFPHLYOZSA-N 341.198 2.346 50 50 EEGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c(O)c1 1959471 UZLGEXZYLUMKKJ-YBFXNURJSA-N 343.383 2.414 50 50 EEGA O=C(CCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1 2051885 INDTXCLQIYUCFT-UHFFFAOYSA-N 332.787 2.499 50 50 EEGA O=C1c2ccccc2S(=O)(=O)N1C[C@@H](Cl)[C@@H](Cl)CCl 4105432 RPRFLYGBNUEZJE-DTWKUNHWSA-N 342.631 2.285 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)c1 72152 HVEVJAIXYRGABM-VCHYOVAHSA-N 340.339 2.451 50 50 EEGA C[C@H](Cl)C(=O)NC1CC(N(CC(=O)OC(C)(C)C)CC2CC2)C1 1875380781 ZKJZQSDWHVAXTH-XGNXJENSSA-N 344.883 2.315 50 50 EEGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1cc(Cl)ccc1O 35338770 QELXRXRMPYXHRI-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA CO[C@@H]1CCC12CC(C(=O)NCCSSCCC(=O)O)C2 1875388458 BVIPNLGGGXIPSX-IQLKVPPVSA-N 333.475 2.164 50 50 EEGA CCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551223 GZRPSXXTRRXBHO-UHFFFAOYSA-N 345.399 2.068 50 50 EEGA O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@H](F)Cl 2325898039 QEWJBTYVSXEXLF-QMMMGPOBSA-N 330.640 2.477 50 50 EEGA C[C@H](Cl)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 1875364577 OPBPWMDERFEKBA-JTQLQIEISA-N 340.836 2.070 50 50 EEGA Cc1cc(F)ccc1[C@H](NCC(F)(F)F)C(=O)NNC(=O)C(C)C 1776005842 KHKFRLVPARGCNY-LBPRGKRZSA-N 349.328 2.131 50 50 EEGA Cc1c(C(=O)NNC(=S)NC[C@@H]2CCCO2)oc2ccccc12 610154 SSIZCNMNENPWOI-NSHDSACASA-N 333.413 2.029 50 50 EEGA Cc1c(C)n2c(CSSc3ccccn3)c(C)c(=O)n2c1=O 22066188 RPMPZGOELHEYGP-UHFFFAOYSA-N 333.438 2.458 50 50 EEGA in-vitro C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 371139 KEYLMFZXXVEDFG-MKFNJMOCSA-N 338.323 2.384 50 50 EEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1 2172245 BNWJTZPVFKYFGA-QGMBQPNBSA-N 345.742 2.158 50 50 EEGA Cc1nc2sccn2c1C(=O)N/N=C\c1ccccc1[N+](=O)[O-] 4955759 IIDOPFPRDCQIEA-NVNXTCNLSA-N 329.341 2.376 50 50 EEGA COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(OC)c1 441880 UDMXCAHKQHWHJE-UHFFFAOYSA-N 348.786 2.361 50 50 EEGA CCOC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccnn2C)cc1 4651699 HWFULRHVUZLQSI-ODLFYWEKSA-N 329.360 2.143 50 50 EEGA CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(Cl)c[nH]1 241338617 MCLMELINPJTYRF-UHFFFAOYSA-N 345.790 2.041 50 50 EEGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 138912 YPXOADTZZHPZLJ-VCHYOVAHSA-N 337.339 2.403 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccccc2O)cc(OC)c1OC 259548 IBYQKNQUMAVAPK-VCHYOVAHSA-N 330.340 2.182 50 50 EEGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OC 196592 JWZCSXZDWNXHFR-CQSZACIVSA-N 340.335 2.184 50 50 EEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1 4260362 VPWPZWAHVQZHKI-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA COc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1OC 195854 CUMZDXYMOFKZCJ-VCHYOVAHSA-N 331.397 2.341 50 50 EEGA COc1cc(/C=N/NC(=O)CCn2cnc3ccccc32)ccc1O 5570081 QIXSLACBHPBBES-RGVLZGJSSA-N 338.367 2.291 50 50 EEGA C[C@H](Cl)C(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1875364859 WNFGAVXYLIDFRA-DCAQKATOSA-N 334.844 2.490 50 50 EEGA O=C(NNC(=S)NC1CCCCC1)c1ccc(Br)o1 621543 RBIMQNKKIGOHOJ-UHFFFAOYSA-N 346.250 2.484 50 50 EEGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(=O)[nH]n1 5314248 JPDIXSBHYDDVHB-UDWIEESQSA-N 348.362 2.113 50 50 EEGA COc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 260016 QXYAYFIKCYVTCD-LICLKQGHSA-N 329.312 2.133 50 50 EEGA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(B(O)O)c(F)c1 169744607 BQMNXQJYPKNZEV-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccc(Cl)cc1Cl 264884 MPFKQIZEQNEQBA-OMCISZLKSA-N 327.171 2.423 50 50 EEGA CCNC(=S)NNC(=O)[C@@H](C)Oc1c(Cl)cccc1Cl 6655144 SZZNRZHIXFNLMJ-SSDOTTSWSA-N 336.244 2.276 50 50 EEGA COc1ccc(C(F)(F)C(=O)NNc2nccnc2Cl)cc1 131783906 WIEPUAHEVLUMRV-UHFFFAOYSA-N 328.706 2.374 50 50 EEGA O=C1C(=O)N(C[C@@H](Br)CBr)c2ccccc21 2026376 LSOFBKAXYLACQD-ZETCQYMHSA-N 347.006 2.374 50 50 EEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1O 2901562 ZXGBRAFCINCSNO-VXLYETTFSA-N 341.367 2.106 50 50 EEGA Cc1nn(C)c(NNC(=O)[C@@H](C)CCOc2ccccc2)c1C#N 1875344556 IFZHOGBAQXFGQY-LBPRGKRZSA-N 327.388 2.149 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1957580 IEZNNIWBGUTPRY-CXUHLZMHSA-N 344.283 2.276 50 50 EEGA O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1F 2156331 MUPGIPXQUFGTSN-UHFFFAOYSA-N 336.254 2.340 50 50 EEGA O=S1(=O)C[C@H](/N=C(\Cl)C(Cl)(Cl)Cl)[C@@H](Cl)C1 100834352 PTZPPDSDYQMOKF-WEOHKOILSA-N 333.451 2.398 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 2901636 UQURQHJRBRWRER-HCZVKUGISA-N 325.368 2.023 50 50 EEGA COc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc2c1OCO2 3191454 KBCSZFZIPCPBDY-OAHLLOKOSA-N 328.324 2.095 50 50 EEGA Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)cc(C#N)n1C 247644236 VYKFVZHEBRNZCD-MOVGURRHSA-N 338.411 2.186 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(C)c1 4209433 JAACCDCHHTVKMN-CIAFOILYSA-N 339.395 2.274 50 50 EEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1O 4259039 VEOOTAASGVUCBX-QGMBQPNBSA-N 347.758 2.148 50 50 EEGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1O 12338734 WAUAMYGPZUERKI-GIJQJNRQSA-N 340.339 2.456 50 50 EEGA CS(=O)(=O)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 2513691 CNEAIMJHQIURJB-LFIBNONCSA-N 347.417 2.428 50 50 EEGA O=C(N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)Nc1ccccc1 5377694 WVTXHMHRKSRYCJ-UHFFFAOYSA-N 325.284 2.073 50 50 EEGA COc1cc(/C=N/NC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O 36189846 VGYJWLIUJPWNLE-LICLKQGHSA-N 329.312 2.002 50 50 EEGA CC(C)c1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cs1 373636 AKFKKGXWZMLHJB-NSHDSACASA-N 327.475 2.159 50 50 EEGA C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(N2CCCS2(=O)=O)cc1 1875366439 JMPMMZHBVWRWGE-MNOVXSKESA-N 330.837 2.031 50 50 EEGA CCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 55421466 FUSMKUJQRRNZEG-YVLHZVERSA-N 329.312 2.463 50 50 EEGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnccn1 5731169 XMGHKYCENAYIQB-DJKKODMXSA-N 337.295 2.409 50 50 EEGA CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875364092 CUUYFTUBQSSGRB-YPMHNXCESA-N 341.839 2.375 50 50 EEGA Cc1nnsc1C(=O)N/N=C/c1cc(Br)ccc1O 300647 RRYHYBRJBYHZIG-WLRTZDKTSA-N 341.190 2.079 50 50 EEGA COCc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)ccc1OC 372376 RVGYHHXRGSBCPA-INIZCTEOSA-N 344.367 2.096 50 50 EEGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1 4283418 DLPBBKRIVUTUEB-VCHYOVAHSA-N 331.397 2.027 50 50 EEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cccc(Cl)c1Cl 102298650 HXVGZGSNSLWMRE-LZUJDIRXSA-N 341.198 2.346 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 206351 ZHIZHAXVVKBGHD-AWEZNQCLSA-N 329.312 2.240 50 50 EEGA COc1cc2c(cc1OC)C(NNC(=O)c1ccco1)=NC(C)(C)C2 4738144 WUYNRGLQCDDJMN-UHFFFAOYSA-N 343.383 2.313 50 50 EEGA Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=S)NC2CC2)c1 609640 ZIRUTMVGMASBHL-VIFPVBQESA-N 327.837 2.073 50 50 EEGA C[C@H](Cl)C(=O)NC[C@@H](CO)Cc1ccccc1OC(F)(F)F 1875364508 NJJCRTBTDZIAQM-UWVGGRQHSA-N 339.741 2.480 50 50 EEGA Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 372259 ZJGOVZOFXIJEKX-HNNXBMFYSA-N 326.400 2.488 50 50 EEGA COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1O 291297 FQTXQCISVBJRJY-LICLKQGHSA-N 329.312 2.002 50 50 EEGA NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 139161 WDPSOMKCCCJRCE-UHFFFAOYSA-N 325.397 2.016 50 50 EEGA NNC(=O)c1cnn(-c2ccc(Br)cc2)c1C(F)(F)F 2522134 MDQIFDVHKADMQY-UHFFFAOYSA-N 349.110 2.257 50 50 EEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)n1 179316 XIMJIOSLUATJTJ-VCHYOVAHSA-N 343.456 2.402 50 50 EEGA Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C 2865032 BQKKBAWYWINRAG-UHFFFAOYSA-N 345.786 2.357 50 50 EEGA aggregator O=C(COc1ccccc1)NNC(=O)c1cccc(Br)c1 2571643 KULSRXCRWYJTEM-UHFFFAOYSA-N 349.184 2.289 50 50 EEGA COC/C(=N\NC(=O)Cc1nc(C)cs1)c1ccc(F)c(F)c1 222126453 QHTKOVPNNFGPHA-CPNJWEJPSA-N 339.367 2.439 50 50 EEGA O=C(COc1ccc2c(c1)CCC2)NNC(=O)Nc1ccccc1 17066595 JBXAAFYEEAHRPT-UHFFFAOYSA-N 325.368 2.407 50 50 EEGA O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 1875387048 LPLHLKKLNDBZOP-UHFFFAOYSA-N 330.819 2.027 50 50 EEGA Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CCl 1875366576 YGDBDVZDTIOHCW-JTQLQIEISA-N 339.745 2.201 50 50 EEGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2sccc2C)C1 4651634 GXHBZGYZAROOCZ-NWDGAFQWSA-N 336.413 2.265 50 50 EEGA Cc1cccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 6789115 RHAFHDQVTGXUAZ-GXDHUFHOSA-N 341.392 2.188 50 50 EEGA CC(C)[C@@H]1CC[C@H](C)[C@H]([C@@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O 229901824 MGXQEUVYHVTMNX-XPVILTJLSA-N 338.411 2.233 50 50 EEGA O=C(CNC(=O)c1cccc(F)c1)N/N=C/C=C/c1ccccc1 1946411 RFABLNLMMRWDJH-JPDQMXGXSA-N 325.343 2.371 50 50 EEGA CC(C)(C(=O)NNC(=O)c1cn2c(n1)CCCC2)C1=CCSCC1 2325797398 OLNBMOWOTHMUEX-UHFFFAOYSA-N 348.472 2.070 50 50 EEGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)cc1 5072945 MHJQAHHJZBSOQZ-LBPRGKRZSA-N 326.381 2.018 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@H]2C1 19943139 KXDZLJNESJMRQY-DOTOQJQBSA-N 333.370 2.181 50 50 EEGA O=P(OCCN1CCOCC1)(c1ccccc1)c1ccccc1 8553070 KEAVRAXVSNFKHT-UHFFFAOYSA-N 331.352 2.264 50 50 EEGA O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 17070968 VQDPKRMUZGHXMV-UHFFFAOYSA-N 338.323 2.363 50 50 EEGA O=C(CCc1ccccc1)NNC(=S)Nc1ccc2c(c1)OCO2 6402838 XAKVKONCBWAAIF-UHFFFAOYSA-N 343.408 2.366 50 50 EEGA O=C([C@@H]1CN(C(=O)[C@H](F)Cl)c2ccccc2O1)N1CCCCC1 2325901611 NOLAACMFHDTRDY-KBPBESRZSA-N 340.782 2.328 50 50 EEGA O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@@H](F)Cl 2325898038 QEWJBTYVSXEXLF-MRVPVSSYSA-N 330.640 2.477 50 50 EEGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1O 2903105 SUPNEPQSZHOYIM-GIJQJNRQSA-N 347.758 2.143 50 50 EEGA CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sccc2C)[C@@H](C(=O)O)C1 4651630 GXHBZGYZAROOCZ-NEPJUHHUSA-N 336.413 2.265 50 50 EEGA C=CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 17067148 JPVUZZPLXKPREA-SNVBAGLBSA-N 327.837 2.097 50 50 EEGA CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1O 1091281 CBSISYIINCIONR-GIJQJNRQSA-N 328.324 2.284 50 50 EEGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1c(O)cc(C)oc1=O 5022766 LVMGKGGLFMBMBJ-ZBGMRHGXSA-N 326.352 2.298 50 50 EEGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cnn(C)c2C)cc1C 6215680 XNRQXKHVIBDOBY-VXLYETTFSA-N 341.415 2.214 50 50 EEGA O=C1c2ccccc2C(=O)N1CCCCI 1615396 RDVFAHFZNOEVLZ-UHFFFAOYSA-N 329.137 2.498 50 50 EEGA Cc1ccc(NCC(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 4982104 RUUYKJFTGZDNDK-JMIUGGIZSA-N 341.367 2.021 50 50 EEGA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(B(O)O)c(F)c1 169744468 IDEWZWLBPVWDSB-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 1875377582 HPPBALMNYBJMLW-WBVHZDCISA-N 335.879 2.032 50 50 EEGA CCc1nc(C)c(C(=O)NCCSSCCC(=O)O)c(C)n1 1875388739 ONWRTNIASVJUFX-UHFFFAOYSA-N 343.474 2.242 50 50 EEGA C[C@H](Cl)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1875364078 CFVYRSDQKOKMGT-JTQLQIEISA-N 334.763 2.082 50 50 EEGA CCc1cnc(CC(=O)N2CCC3(CC2)C[C@H]3Br)[nH]1 1775998707 GYNDETOSJYCSSS-LLVKDONJSA-N 326.238 2.291 50 50 EEGA CN1C(=O)/C(=N\NC(=O)c2ccc3ccccc3n2)c2ccccc21 100511393 XSZACPPQIHAGQW-FXBPSFAMSA-N 330.347 2.345 50 50 EEGA Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1 178773 HHVYDVVXQRFFSZ-PJQLUOCWSA-N 330.200 2.120 50 50 EEGA OB(O)c1cc(OCc2cccnc2)c(C(F)(F)F)cc1Cl 169955348 NOKWORLNLZLRHA-UHFFFAOYSA-N 331.486 2.013 50 50 EEGA CCOC(=O)Cc1[nH]nc2c1[C@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 614375 VPGVEESWVXKIEO-QMTHXVAHSA-N 328.372 2.041 50 50 EEGA CCOc1ccc([C@H]2C(C#N)=C(SC)NC(=O)[C@@H]2C(=O)OC)cc1 9110913 MSOQPVKRGLIIEG-UONOGXRCSA-N 346.408 2.186 50 50 EEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1 3061720 SSEIQPYYPVZAAM-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA CNc1ccccc1C(=O)NNC(=S)Nc1ccc(OC)cc1 2165350 XAVRWFYVVQBGPA-UHFFFAOYSA-N 330.413 2.368 50 50 EEGA C/C(=N/OCC(=O)N/N=C/c1nc2ccccc2n1C)c1ccccc1 4955583 FDHJVTRVLCBXAO-HVZPBUQRSA-N 349.394 2.464 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 1875377580 HPPBALMNYBJMLW-NVXWUHKLSA-N 335.879 2.032 50 50 EEGA CCOC(=O)Cc1[nH]nc2c1[C@@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 614381 VPGVEESWVXKIEO-HZMBPMFUSA-N 328.372 2.041 50 50 EEGA C=CCNC(=S)NNC(=O)C(C)(C)Oc1ccc(Cl)c(C)c1 6825953 OJRZLDGQPXNRFU-UHFFFAOYSA-N 341.864 2.487 50 50 EEGA NNC(=O)c1cccn2cc(-c3ccc(Br)cc3)nc12 22996585 YMAGRCAJDVGAHA-UHFFFAOYSA-N 331.173 2.367 50 50 EEGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1 55764 CLYIZPINNFIHPM-LICLKQGHSA-N 329.360 2.408 50 50 EEGA N#CC(C#N)=C/C(C#N)=C(/N)N1CCN(c2ccc(Cl)cc2)CC1 3134564 GCLAASLSAIINIF-SAPNQHFASA-N 338.802 2.129 50 50 EEGA CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 299679 KYQVHQQCNIATNE-UHFFFAOYSA-N 331.759 2.373 50 50 EEGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] 342717 DNYIOUOQWKBFCQ-KBPBESRZSA-N 325.324 2.160 50 50 EEGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1ccoc1C)[C@@H]2C(=O)O 225636624 QVRCJJDUOXMWKO-QHSBEEBCSA-N 346.383 2.042 50 50 EEGA O=C(NNC(=O)c1cccc(O)c1)c1ccc(Br)cc1 431701 YVDNPCQHPFBADR-UHFFFAOYSA-N 335.157 2.230 50 50 EEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 5020190 NTTUARXTKDGXSG-CQSZACIVSA-N 333.438 2.252 50 50 EEGA CCOc1ccccc1OCC(=O)N/N=C/c1ccc(O)c(O)c1 345236 NXMFCHWVZGHZEI-VCHYOVAHSA-N 330.340 2.026 50 50 EEGA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCSS(=O)(=O)O 2839288 RQTMESUZPCCKKN-SNVBAGLBSA-N 342.442 2.141 50 50 EEGA CCNC(=S)NNC(=O)c1cc(Br)c(CC)s1 2727313 YGGXGKUMKHZWTP-UHFFFAOYSA-N 336.280 2.202 50 50 EEGA CCc1cc(C(=O)N/N=C(\C)c2ccc(OCC(N)=O)cc2)cs1 13321844 JJQDHZSKPNJPPY-YBFXNURJSA-N 345.424 2.329 50 50 EEGA N#C/C(=C\c1ccccc1C(F)(F)F)c1nn(CCO)c(N)c1C#N 4118906 LHUMRPOXBRDYGH-YRNVUSSQSA-N 347.300 2.412 50 50 EEGA O=C1c2ccccc2S(=O)(=O)N1C[C@H](Cl)[C@H](Cl)CCl 4105429 RPRFLYGBNUEZJE-BDAKNGLRSA-N 342.631 2.285 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1O 2025257 XGZOVPXJVMSMJJ-VXLYETTFSA-N 341.367 2.106 50 50 EEGA O=C(CCc1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 271213 CAFRRUQBMGHZCR-VCHYOVAHSA-N 341.323 2.406 50 50 EEGA Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cc1cccs1 436186 QOZHYNFXNWBYLO-UHFFFAOYSA-N 338.816 2.479 50 50 EEGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 4282994 NAGYVUWVHXZCAL-KEBDBYFISA-N 345.786 2.229 50 50 EEGA COc1ccc(/C=N/NC(=O)Cc2cccs2)c(OC)c1OC 552251 YFVOHPZQOUBRAP-LICLKQGHSA-N 334.397 2.467 50 50 EEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OC 488766 XWFJZLMEJWQODW-OAHLLOKOSA-N 340.335 2.184 50 50 EEGA CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(C(=O)[C@H](C)Cl)C1 1875364081 CUUYFTUBQSSGRB-AAEUAGOBSA-N 341.839 2.375 50 50 EEGA Cc1ccc2[nH]c3c(c2c1)CCC/C3=N/NC(=O)CN1CCCC1=O 1775985658 KYAFBAPQLKOSHF-PGMHBOJBSA-N 338.411 2.255 50 50 EEGA COCCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1 1875387118 PMYFITCYHWIAOC-UHFFFAOYSA-N 345.270 2.412 50 50 EEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1 809372 IRIXRVUJOJCFFU-HOCLYGCPSA-N 349.419 2.020 50 50 EEGA C[C@H]([C@@H](F)C(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F 1875278963 MFBRPVJSBDNJKI-LDYMZIIASA-N 335.301 2.050 50 50 EEGA COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccccc2F)c1 5041573 JGXMRKVFXQSVFF-UHFFFAOYSA-N 333.319 2.309 50 50 EEGA CC(=O)Nc1ccc(/C(C)=N\NC(=O)CCN2CCCCC2)cc1 5073682 PIZGRPUVIZQZPH-ZHZULCJRSA-N 330.432 2.361 50 50 EEGA CCOc1ccccc1OCC(=O)N/N=C/c1ccc(O)cc1O 342522 BMFPJDNZNZLIJQ-VCHYOVAHSA-N 330.340 2.026 50 50 EEGA N#CC1=C(O)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 3116973 XCUXMWLYXBEUQO-GJZGRUSLSA-O 326.763 2.375 50 50 EEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 809373 IRIXRVUJOJCFFU-GDBMZVCRSA-N 349.419 2.020 50 50 EEGA COC(=O)c1ccc(/C=N\NC(=O)c2c(C)nc3sccn23)cc1 32123395 HIHPXIIVMAWCTD-MFOYZWKCSA-N 342.380 2.255 50 50 EEGA N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(O)cc1 449950 GQKVRYWUOWUREW-ACCUITESSA-N 339.351 2.367 50 50 EEGA N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1nc(O)c2ccccc2n1 16293598 CRRUWYINBPEHED-UKTHLTGXSA-N 346.346 2.264 50 50 EEGA C/C(=N\NC(=O)c1[nH]nc2c1CCCC2)c1cccc([N+](=O)[O-])c1 9046612 SVRLIJLTHLERKJ-LICLKQGHSA-N 327.344 2.351 50 50 EEGA CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1O 505858 WQLASTBWJOAAIN-YBFXNURJSA-N 344.367 2.329 50 50 EEGA CCCCOc1ccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)cc1 5590970 JICJURLQNLQLOV-SILNSSARSA-N 341.367 2.479 50 50 EEGA O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccc(O)cc1O 2874946 TYLPVOPNIMUMGR-VXLYETTFSA-N 345.330 2.106 50 50 EEGA COc1ccccc1/C=C/C=N/NC(=O)Cn1nnc2ccccc21 7855684 RPSYBZNKMKLBBW-ZYZAVJBWSA-N 335.367 2.255 50 50 EEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(O)cc(O)c1 125274 UITSGCYZGKHVNM-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA COc1ccccc1C(=O)NNC(=O)c1ccc(Br)o1 615308 GGVNUSMQAGOBEE-UHFFFAOYSA-N 339.145 2.126 50 50 EEGA COc1ccc(COC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 2974445 JHBYAEIETXHRFM-UHFFFAOYSA-N 345.311 2.175 50 50 EEGA COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1[N+](=O)[O-] 274219 IAMLGZCZWMGOHH-VXLYETTFSA-N 342.355 2.474 50 50 EEGA O=C(O)CCSSCCNC(=O)c1coc(CC2CC2)n1 1875388919 VRCGKGBXHDGMOQ-UHFFFAOYSA-N 330.431 2.213 50 50 EEGA O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccc(F)cc1 4210070 SKCGZKRJWGHHBR-QGMBQPNBSA-N 335.722 2.274 50 50 EEGA O=C(CCC1CCCCC1)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225585572 FTTSTKILMGSBSU-DARAHFNDSA-N 336.432 2.241 50 50 EEGA C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(O)cc1 55028079 CDGFOIBJPGAGMQ-CXUHLZMHSA-N 344.283 2.363 50 50 EEGA COc1ccc2c(c1)/C(=N/NC(=O)COc1ccccc1C)CO2 43761325 YMIUUHRGPXVXOE-XDJHFCHBSA-N 326.352 2.295 50 50 EEGA O=C(Cc1cccs1)NNC(=S)Nc1cccc([N+](=O)[O-])c1 2850807 FAFMXKUUFQVLDX-UHFFFAOYSA-N 336.398 2.217 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1ccc(Br)s1 52971610 USAAWQLZRXTWGP-NTUHNPAUSA-N 348.291 2.010 50 50 EEGA COc1ccc(OC)c(NC(=O)NNC(=O)c2ccccc2OC)c1 609312 VWKHNNCCRLJBCH-UHFFFAOYSA-N 345.355 2.179 50 50 EEGA O=C(Cc1nc2ccccc2[nH]c1=O)NN=Cc1ccc2c(c1)CCC2 8627811 GVLMARCSMXKFDQ-UHFFFAOYSA-N 346.390 2.105 50 50 EEGA Cc1nn(C)cc1/C=N/NC(=O)C1(O)c2ccccc2-c2ccccc21 374446 YIASNOWYFSRPNT-SRZZPIQSSA-N 346.390 2.095 50 50 EEGA Cc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229133 VIPAAMVLXCVXLA-RGVLZGJSSA-N 335.363 2.366 50 50 EEGA Cn1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cnn(C)c2)cn1 2749327 MYMGTGCTQDNXJC-JIOITTSWSA-N 348.410 2.483 50 50 EEGA C[C@H](Cl)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 1875377481 FKDOIRIFIBJRJA-GDLCADMTSA-N 331.243 2.455 50 50 EEGA O=C(CCl)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 1336910194 QSGWYXNWHYTDRJ-UHFFFAOYSA-N 327.093 2.257 50 50 EEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1Cl 3072793 IVQNGVQBZCVALT-GIJQJNRQSA-N 331.759 2.443 50 50 EEGA CCOC(=O)c1c(C)[nH]c(NC(=O)NNC(=O)c2ccccc2)c1C 568481 MYPUUDNDWDGWNU-UHFFFAOYSA-N 344.371 2.275 50 50 EEGA OB(O)c1c(Br)ccc(OCc2ccccc2)c1Cl 169901986 VXBLINFXGJRKAF-UHFFFAOYSA-N 341.397 2.361 50 50 EEGA in-vitro O=C(CN1CCCc2ccccc21)NNC(=O)C1=CCCCCC1 126833887 QHKLCZCONSLMFD-UHFFFAOYSA-N 327.428 2.477 50 50 EEGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1O 282975 CXQOLGOHAUGGBE-HNNXBMFYSA-N 340.335 2.271 50 50 EEGA CCCCCCCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 17414086 JKLGKHWFDRVNKG-UHFFFAOYSA-N 345.399 2.355 50 50 EEGA O=C([C@H]1CN(C(=O)[C@H](F)Cl)c2ccccc2O1)N1CCCCC1 2325901612 NOLAACMFHDTRDY-KGLIPLIRSA-N 340.782 2.328 50 50 EEGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc2c(c1)OCO2)OCO3 2838293 IEWBNWOJNFHUSO-KRWDZBQOSA-N 336.303 2.362 50 50 EEGA N#C/C(=C\c1cccc2ccccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1 1449190 OZMITRSAYYRDIW-AAGJOFLKSA-N 340.404 2.050 50 50 EEGA C[C@@H](Cl)C(=O)NC[C@H](CO)Cc1ccccc1OC(F)(F)F 1875364506 NJJCRTBTDZIAQM-NXEZZACHSA-N 339.741 2.480 50 50 EEGA CC(C)(C)[Si](C)(C)O[C@]1(CN[C@H]2CCCNC2=O)CCOC1 1775999623 RHGWSKOOYMMIMZ-BBRMVZONSA-N 328.529 2.036 50 50 EEGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 4283405 WYODJGLEKFKHTB-CIAFOILYSA-N 339.395 2.274 50 50 EEGA COc1cc(C)c(CN(C(=O)CCl)[C@@H]2CC[C@H](O)C2)c(C)n1 1875382663 LFIBAFMQEVMWOQ-OLZOCXBDSA-N 326.824 2.188 50 50 EEGA Cc1occc1C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 100092829 OHZVCNWJMBTWJL-UHFFFAOYSA-N 348.156 2.437 50 50 EEGA CNC(=O)Nc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 1466233080 BWPOYMJZBVTWHF-UHFFFAOYSA-N 329.316 2.103 50 50 EEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)n[nH]1 5687353 USYNUKSMISETFV-CXUHLZMHSA-N 325.284 2.342 50 50 EEGA C[C@]1(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl 2858142 PHTUSBRSADHCHV-LLVKDONJSA-N 347.158 2.331 50 50 EEGA Cc1nn(C)c(NNC(=O)c2cc(-c3ccc(F)cc3)on2)c1C#N 1875349648 HNUCSCQVFWNRSA-UHFFFAOYSA-N 340.318 2.151 50 50 EEGA CC[C@@H](NC(=O)CCl)c1ccccc1OCC(=O)N1CCCC1 1319785695 IZLDZNGJDDUJFB-CQSZACIVSA-N 338.835 2.494 50 50 EEGA O=C(c1ccc(B(O)O)cc1)N(Cc1ccccc1)Cc1ccccc1 196059200 CHSOUVYTOYGNEX-UHFFFAOYSA-N 345.207 2.209 50 50 EEGA O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 1837713 GBJWELCHONOIGQ-WSLXBKNRSA-N 325.324 2.444 50 50 EEGA O=S1(=O)[C@H]2CC[C@@H](Br)[C@@H](Br)[C@H]1CC2 101037944 RFFHTJJMSBLMPU-LXGUWJNJSA-N 332.057 2.253 50 50 EEGA CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 278377 YOSKPQVTZHXIAP-ZDUSSCGKSA-N 329.425 2.367 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccoc2C)cc(OC)c1OC(C)=O 381473 PDXLXWUFGIEPLL-GIJQJNRQSA-N 346.339 2.294 50 50 EEGA O=C(N/N=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccn1 32625348 LWPKVAPLYCNFTC-UNOMPAQXSA-N 339.355 2.354 50 50 EEGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5318832 BKKVITMHNVRZJW-VCHYOVAHSA-N 337.339 2.403 50 50 EEGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 222087547 ISXYFXUFGODWFO-NQBHXWOUSA-N 342.317 2.135 50 50 EEGA CC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 1600537 OBFGGGOSBTXXCS-MRXNPFEDSA-N 328.324 2.248 50 50 EEGA NNC(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1 15108777 KFDDYKDAWCHNNT-UHFFFAOYSA-N 335.363 2.461 50 50 EEGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 2894410 SRCWIVILFWFTSL-LDADJPATSA-N 340.339 2.464 50 50 EEGA CC(C)c1ncncc1C(=O)NCCSSCCC(=O)O 1875388577 HEGSFPNAXWNDIP-UHFFFAOYSA-N 329.447 2.186 50 50 EEGA Cc1cc(CN(C)C(=O)[C@H](NC(=O)CCl)c2ccccc2)no1 1875384727 VNUVHNNNGMLKIF-OAHLLOKOSA-N 335.791 2.038 50 50 EEGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1 4283548 ZLBKEVGDGMLURQ-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA OB(O)c1cccc(Br)c1OCc1ccc(Cl)cc1 169746567 KBWXXELCTOFTRW-UHFFFAOYSA-N 341.397 2.361 50 50 EEGA CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N/NC(N)=O)c1ccccc1 5416476 LADWTIJLOFDNED-OQCHKFKFSA-N 335.367 2.098 50 50 EEGA Cc1ccc2c(c1)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2C 5730656 OLFGSXYCCYOEBN-SDXDJHTJSA-N 338.323 2.014 50 50 EEGA COC(=O)c1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 30774188 PNNCANUYJQOBQL-YVLHZVERSA-N 327.296 2.145 50 50 EEGA C[C@H](Cl)C(=O)N(C)[C@@H](C)c1ccccc1N1CCCS1(=O)=O 1875366404 HBARZAVCGOTFCM-RYUDHWBXSA-N 344.864 2.373 50 50 EEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 2566417 JMNYTYYQONVMMY-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA C[C@@H](Cl)C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 1875375810 IVAURKCSQBAHBY-LLVKDONJSA-N 349.818 2.299 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(O)c(OCC)c1 292616 DFARNXVTEKNZOW-INIZCTEOSA-N 344.367 2.436 50 50 EEGA CC(C)(C)C(=O)NNS(=O)(=O)c1cc2nc(Cl)ccc2s1 864097204 MFJNJLHODALQQP-UHFFFAOYSA-N 347.849 2.305 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 206350 ZHIZHAXVVKBGHD-CQSZACIVSA-N 329.312 2.240 50 50 EEGA COc1ccc(CC(=O)NNC(=S)N[C@H](C)c2ccccc2)cc1 2851905 WZEKGLDLIYCNIJ-CYBMUJFWSA-N 343.452 2.494 50 50 EEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccccc1Cl 96129677 XFYFNBMLJGUBBA-UHFFFAOYSA-N 344.714 2.334 50 50 EEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])n1 186666 BJGZDUADFSEGLD-LZYBPNLTSA-N 345.384 2.244 50 50 EEGA O=C(COc1ccc(Cl)cc1)NNC(=S)NCc1ccccc1 4976599 IHQAGAOCJRUKFP-UHFFFAOYSA-N 349.843 2.414 50 50 EEGA C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(-n2ccnc2)cc1 20157815 JSRNNXGFQXPIIG-SXZORUHJSA-N 334.379 2.446 50 50 EEGA COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1 3210669 WNIFEEOXGFQCTH-KEBDBYFISA-N 345.786 2.229 50 50 EEGA COc1cc(CN(CC(F)(F)CO)C(=O)CCl)ccc1F 1875381776 HNOBHOGOACUMEE-UHFFFAOYSA-N 325.714 2.029 50 50 EEGA C[C@H](Cl)C(=O)N[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1875366441 JMPMMZHBVWRWGE-WDEREUQCSA-N 330.837 2.031 50 50 EEGA COc1ccc(/C=N/NC(=O)CNC(=O)Nc2ccc(F)cc2)cc1 2141309 PIOVVEJQEOZHDK-KEBDBYFISA-N 344.346 2.106 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 4210402 KMQKZQOGNFHHRX-YBFXNURJSA-N 329.331 2.313 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1 2901638 UQURQHJRBRWRER-KZKLBEMASA-N 325.368 2.023 50 50 EEGA Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36020388 QNBANHFWDWPVDX-GIJQJNRQSA-N 343.339 2.446 50 50 EEGA N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6828851 OLRXNBIYLUYZTE-XYOKQWHBSA-N 345.355 2.019 50 50 EEGA COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c1OC 72461 UKZASXCPICVVKL-VCHYOVAHSA-N 328.372 2.070 50 50 EEGA C[C@@H]1CCCN(c2cc(C(=O)NNC(=O)c3ccccc3)ccn2)C1 291044328 YRVDYEWWMDQHLK-CQSZACIVSA-N 338.411 2.393 50 50 EEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cl 2024904 LPVWJCHVDDHIBM-QGMBQPNBSA-N 345.742 2.158 50 50 EEGA O=C(N/N=C/c1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2573366 KJCRJUBXHFKRGN-QGMBQPNBSA-N 337.166 2.477 50 50 EEGA COc1cc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC 100003572 VSRHXKGJJGRCCS-NSQIFHPOSA-N 347.371 2.498 50 50 EEGA COc1ccccc1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 580491 IDXQUSZRSHZCPH-YBFXNURJSA-N 344.367 2.485 50 50 EEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1c(F)cccc1Cl 1428091 ADHUPZHPZHRVKX-GFCCVEGCSA-N 348.717 2.143 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 2900109 UZJAAKOLYLYBKM-HCZVKUGISA-N 325.368 2.023 50 50 EEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccc1C(F)(F)F 100151687 SRGUQQPTILLCLK-NPLBWUPPSA-N 340.305 2.058 50 50 EEGA O=C(NNc1ncccn1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 120077244 DGLBJXGFXSSJRB-UHFFFAOYSA-N 345.362 2.130 50 50 EEGA C=CCNC(=S)NNC(=O)CCCOc1ccc(Cl)cc1C 16218674 KAOYGWLAUQHFMV-UHFFFAOYSA-N 341.864 2.489 50 50 EEGA Cc1cccc(NCC(=O)NNC(=O)COc2ccc(Cl)cc2)c1 2026456 MTEDDNANWVGYJK-UHFFFAOYSA-N 347.802 2.287 50 50 EEGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NC1CC1 7164121 WXPQABUOMIBHRG-YCRREMRBSA-N 335.157 2.363 50 50 EEGA C[C@H](Cl)C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1875364860 WNFGAVXYLIDFRA-GARJFASQSA-N 334.844 2.490 50 50 EEGA CCOC(=O)C(C#N)=C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12412186 BDVZDDDDEAHEMX-UHFFFAOYSA-N 348.424 2.163 50 50 EEGA COc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 35653647 WDALOQLQQRXAOV-XDHOZWIPSA-N 327.384 2.290 50 50 EEGA O=C1CC(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)=NN1 102302423 CQQTYVWJDUPSAR-XDHOZWIPSA-N 336.351 2.195 50 50 EEGA O=[N+]([O-])O[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245296645 NDEIAEDRWXLTEG-KLVWXMOXSA-N 328.596 2.026 50 50 EEGA CC(C)(C)[Si](OC[C@@](C)(N)CO)(c1ccccc1)c1ccccc1 196060043 HROKRCQNLXKXHS-FQEVSTJZSA-N 343.543 2.273 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1OC 5349932 VNLZLLVUSJQIHC-VCHYOVAHSA-N 328.372 2.070 50 50 EEGA CC1(C)Cc2ccccc2C2=C/C(=N/NC(=O)c3ccncc3)C(=O)N21 4721907 DXGOPWAWUYZSRW-JWGURIENSA-N 346.390 2.385 50 50 EEGA O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 100380962 IQVOHGYYTSSHBO-NXEZZACHSA-N 337.763 2.445 50 50 EEGA O=C(CCn1cnc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 551366 APPFCUOBJZNBIX-YBFXNURJSA-N 337.339 2.485 50 50 EEGA O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(F)cc1 2892304 KVXXRODUYGSOPF-KEBDBYFISA-N 333.750 2.246 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 4287125 WLYHEEBVOGYBSF-SRZZPIQSSA-N 343.358 2.105 50 50 EEGA O=S(=O)(c1ccc(Cl)nc1F)N1CCSSCC1 692849728 BVLNENOWCSHAGC-UHFFFAOYSA-N 328.843 2.260 50 50 EEGA CCOc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 291087 WOBPXKPSOQBYNR-JJLFXSABSA-N 342.351 2.081 50 50 EEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(Cl)c([N+](=O)[O-])c1 252470003 IQVOHGYYTSSHBO-IWIIMEHWSA-N 337.763 2.445 50 50 EEGA C#CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1ccccc1 4594173 WLYXUOQLLYNRQF-GFCCVEGCSA-N 335.392 2.002 50 50 EEGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccnc1 100406052 IKSQLSIBENYRML-AWEZNQCLSA-N 329.315 2.223 50 50 EEGA Cc1cc(N2CC[C@H](NC(=O)CCl)C2=O)ccc1Br 1875377645 JQTNOESGOZAKOZ-NSHDSACASA-N 345.624 2.218 50 50 EEGA CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(B(O)O)c1 169744447 WJZPELCWAPVNFX-UHFFFAOYSA-N 331.608 2.397 50 50 EEGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)C(F)(F)F 2551788 VATXKFDPNXIKKA-UHFFFAOYSA-N 338.285 2.442 50 50 EEGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@H]2C1 6781840 LPYIGKHKQBNYRP-IRXDYDNUSA-N 333.395 2.413 50 50 EEGA CCNC(=S)NNC(=O)C(C)(C)Oc1ccc(Cl)c(C)c1 6655117 ACEAJCLOJKTQBZ-UHFFFAOYSA-N 329.853 2.321 50 50 EEGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC 245232418 VSRHXKGJJGRCCS-NNMWSGBOSA-N 347.371 2.498 50 50 EEGA C[C@H](Cl)C(=O)N(C)[C@H](C)c1ccccc1N1CCCS1(=O)=O 1875366403 HBARZAVCGOTFCM-NWDGAFQWSA-N 344.864 2.373 50 50 EEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 4950453 GJYQXVPAEAKNOS-IXEIWOFMSA-N 325.324 2.444 50 50 EEGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1 39323353 XGQLQCMYFCUFQK-DLBZAZTESA-N 333.395 2.415 50 50 EEGA COc1ccccc1C(=O)NCC(=O)N/N=C/C=C/c1ccccc1 1878163 IHWRBXYPKWMVFQ-FPQBULDBSA-N 337.379 2.240 50 50 EEGA Cc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 1318075 ASJZAKZZFDGAMX-MSOLQXFVSA-N 329.407 2.350 50 50 EEGA CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccn1 100408577 FUZQBRBDHNRXLR-VBKFSLOCSA-N 335.367 2.013 50 50 EEGA COc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)c(F)c1 368947502 VJFSBRSJDQLINC-UHFFFAOYSA-N 329.291 2.036 50 50 EEGA CCCc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 4311196 FJWJXSNJTASXNK-CYBMUJFWSA-N 325.328 2.489 50 50 EEGA O=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccs1 1394623 JDASVOYLBUGEDX-UHFFFAOYSA-N 343.452 2.421 50 50 EEGA CN1CCC(=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 55433556 GUAOMKXVOHVAIR-UHFFFAOYSA-N 336.417 2.026 50 50 EEGA O=C(N/N=C/c1cccnc1)C(O)(c1ccccc1)c1ccccc1 115113 YLVBBPAOJALWCA-PXLXIMEGSA-N 331.375 2.468 50 50 EEGA C[C@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccco2)C(=O)N1c1ccccc1 229907853 RDSCIAYTGWBRRV-RXOKENRISA-N 335.363 2.497 50 50 EEGA C[C@H](Cl)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1875369778 GZYJTSRRMLVAFX-WCBMZHEXSA-N 334.725 2.250 50 50 EEGA CCN1CCN(C(=O)c2cccc(-c3noc(CCl)n3)c2)CC1 34924940 CIYGHNJXAPDTQW-UHFFFAOYSA-N 334.807 2.253 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@@H]2C1 5817843 KXDZLJNESJMRQY-NVXWUHKLSA-N 333.370 2.181 50 50 EEGA COc1cc(/C=N/NC(=O)Cc2cccs2)cc(OC)c1OC 236155 HEVKHWSNLHOYNM-LICLKQGHSA-N 334.397 2.467 50 50 EEGA O=C(CCl)Nc1ccc(I)cc1C(=O)O 2154766 WTVIFCWXMXHVSE-UHFFFAOYSA-N 339.516 2.167 50 50 EEGA CCNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794609 DVALQIYUPDVORO-UHFFFAOYSA-N 339.314 2.052 50 50 EEGA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCBr 2243865 MQBKILMXULFSRI-UHFFFAOYSA-N 327.134 2.366 50 50 EEGA in-vitro COCC(=O)N/N=C(\C)CC(=O)Nc1cccc(C(F)(F)F)c1 18996707 HUHYFULMHROUTG-DJKKODMXSA-N 331.294 2.173 50 50 EEGA CCN(CC)S(=O)(=O)c1ccc(C(=O)CBr)cc1 332458 XSACATWDWOSQKU-UHFFFAOYSA-N 334.235 2.295 50 50 EEGA O=C1c2ccccc2C(=O)N1C[C@H](Br)CBr 254549 NTYJFWXYFULYQN-SSDOTTSWSA-N 347.006 2.441 50 50 EEGA CN(NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1 819647955 TWYBJDNQFPMXJD-UHFFFAOYSA-N 326.278 2.494 50 50 EEGA C=CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 17067150 JPVUZZPLXKPREA-JTQLQIEISA-N 327.837 2.097 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 1875364578 OPBPWMDERFEKBA-SNVBAGLBSA-N 340.836 2.070 50 50 EEGA CCO/C=C(\C#N)C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 490976506 QWNGSJYKYNVKDJ-JHFFCINMSA-N 349.431 2.146 50 50 EEGA CO[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C 257356179 GOEBWBYNAAWZLU-MBJXGIAVSA-N 348.512 2.261 50 50 EEGA Cc1cccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 4229201 VZQCQFPCMVEAAG-RGVLZGJSSA-N 335.363 2.366 50 50 EEGA N#CC1=C(N)N=C(S)[C@H](C(N)=O)[C@H]1c1ccc(Cl)cc1Cl 218504 UZHSBSIQKNYBSL-UWVGGRQHSA-N 341.223 2.214 50 50 EEGA CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCCl)c1 4087538 BGOOGQSFSGQLCH-AWEZNQCLSA-N 338.791 2.495 50 50 EEGA CC1(C)OB(c2ccc(NC(=O)CBr)cc2)OC1(C)C 169746312 DIFPHULVCKBACZ-UHFFFAOYSA-N 340.026 2.319 50 50 EEGA in-vitro Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 36127405 LIGAXZFBQDPINT-GIJQJNRQSA-N 343.339 2.446 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1OC 3166692 VKBZWFLTAAPVDB-YBFXNURJSA-N 341.367 2.101 50 50 EEGA O=C(CN1c2ccccc2C[C@@H]2CCCC[C@@H]21)NNC(=O)C1CC1 2325740883 GDZOROIJKQNNDU-RDJZCZTQSA-N 327.428 2.165 50 50 EEGA C[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 313086 QYGBXDREJKTVJA-SNVBAGLBSA-N 340.291 2.185 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1C 4327403 ULWTWSXTZVCGLJ-CIAFOILYSA-N 339.395 2.274 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(NC(C)=O)cc1 283126 RIRSBKGQIDCFFJ-INIZCTEOSA-N 341.367 2.290 50 50 EEGA C[C@@H](O)C[C@@H](C)N(Cc1cccc2nsnc12)C(=O)CCl 1875381831 IZWNOUJOTIWHPC-NXEZZACHSA-N 327.837 2.418 50 50 EEGA Cc1n[nH]c2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2 244747 YIJIDZQZAFLHKO-UHFFFAOYSA-N 335.411 2.338 50 50 EEGA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1 408517287 FNMJWQDTDZLSMY-LSDHHAIUSA-N 334.420 2.284 50 50 EEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 2892401 MZASWRRWMPPCMD-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA COCC1(CNC(=O)CCl)CCN(C(=O)OC(C)(C)C)CC1 1875369663 ALTSMVZSUWZAHK-UHFFFAOYSA-N 334.844 2.005 50 50 EEGA COc1ccc(CC(=O)NNC(=O)CSc2ccc(C)cc2)cc1 615784 XTFCIOGRDLDHGA-UHFFFAOYSA-N 344.436 2.486 50 50 EEGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(O)c1 433171 RTOLEBPWECMGFN-JZQBQCRLSA-N 341.411 2.422 50 50 EEGA Cc1cccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)c1 2520349 GWJYJJGZWCGOJK-KEBDBYFISA-N 349.346 2.190 50 50 EEGA C/C(=N\NC(=O)C(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 1875258062 PKQAFYDKWSAMLI-VXLYETTFSA-N 327.306 2.168 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1 254019 REZZDCUCUUXDRH-YBFXNURJSA-N 341.367 2.426 50 50 EEGA Cn1/c(=N\CC(=O)N/N=C/c2ccc(F)cc2)sc2ccccc21 102300904 KGEZBFSGCGPMNJ-DTTLINJISA-N 342.399 2.430 50 50 EEGA COc1cc(/C=N\NC(=O)Cc2cccs2)cc(OC)c1OC 32576898 HEVKHWSNLHOYNM-YVLHZVERSA-N 334.397 2.467 50 50 EEGA Cc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)s1 33936211 SWANVEDSTWQXCM-GDBMZVCRSA-N 335.436 2.412 50 50 EEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1 3671730 VQBLVPSNKRALRH-YBFXNURJSA-N 329.331 2.313 50 50 EEGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 5248142 XXRVOIQBAGBSLX-IBGZPJMESA-N 332.363 2.077 50 50 EEGA CCOc1ccc([C@H]2C(C#N)=C(SC)NC(=O)[C@H]2C(=O)OC)cc1 9110911 MSOQPVKRGLIIEG-KBPBESRZSA-N 346.408 2.186 50 50 EEGA COc1ccc(/C(C)=N\NC(=O)c2cc(O)cc(O)c2)c(OC)c1 12342879 QNIHROCWUWPMJJ-ZDLGFXPLSA-N 330.340 2.269 50 50 EEGA O=S1(=O)CC[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]21 169680111 XZWWZQICRWKCLV-KVPKETBZSA-N 332.057 2.111 50 50 EEGA Cc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7165671 FRTPPXHRFFYOPA-GXDHUFHOSA-N 341.392 2.188 50 50 EEGA O=C(Nc1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239309193 HGPVWMBJGZUJGG-GRRRKWKPSA-N 336.185 2.196 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c1 180129 NSPUMRXBBCLILC-VCHYOVAHSA-N 328.372 2.070 50 50 EEGA CC[C@@H](OC)C(=O)NNc1cc(C(=O)OC)ccc1Br 293953792 IYKXQWMCCUWVEN-LLVKDONJSA-N 345.193 2.104 50 50 EEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1 100151775 HSEHICXCSDIJIS-SKCQWOFPSA-N 328.416 2.336 50 50 EEGA C[C@@H](Cl)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 1875363660 PVRBBXGYRFAUGB-SNVBAGLBSA-N 346.761 2.200 50 50 EEGA C[C@H](O)C[C@@H](C)N(Cc1cccc2nsnc12)C(=O)CCl 1875381834 IZWNOUJOTIWHPC-ZJUUUORDSA-N 327.837 2.418 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2532843 BTHHYDTVSNVHEH-YBFXNURJSA-N 341.367 2.052 50 50 EEGA CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 253470501 GBNGIWWFUSRKOE-UHFFFAOYSA-N 340.339 2.382 50 50 EEGA N#CC(C(=O)CN1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1 5596029 HGFHZYALKOCRIL-UHFFFAOYSA-N 344.330 2.124 50 50 EEGA CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 278816 WOCWALASTYRSJI-ZDUSSCGKSA-N 346.408 2.416 50 50 EEGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] 342714 DNYIOUOQWKBFCQ-UONOGXRCSA-N 325.324 2.160 50 50 EEGA O=[N+]([O-])O[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245296643 NDEIAEDRWXLTEG-FCAWWPLPSA-N 328.596 2.026 50 50 EEGA COc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1Br 2882825 BTRWBXRDYCCCPY-UHFFFAOYSA-N 329.194 2.265 50 50 EEGA CN1C(=O)/C(=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21 6493854 WDMDUBVMDXWJKP-XLNRJJMWSA-N 345.362 2.187 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239222105 UJLRESGGFWSNPI-CAOSSQGBSA-N 342.395 2.094 50 50 EEGA COc1ccc(N2CCN(c3ccc(NC(=O)NN)cc3)CC2)cc1 337357 SJJKOFVYSSHYQQ-UHFFFAOYSA-N 341.415 2.017 50 50 EEGA in-vitro O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 18105990 VLPIRHVARIZCEM-UHFFFAOYSA-N 349.325 2.302 50 50 EEGA N#Cc1ccc(NNC(=O)c2cccc(C(N)=O)c2)c(C(F)(F)F)c1 799752351 GHVWCCWFYDJHPD-UHFFFAOYSA-N 348.284 2.433 50 50 EEGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@H]2C1 5645990 XGQLQCMYFCUFQK-IRXDYDNUSA-N 333.395 2.415 50 50 EEGA C/C(=N\NC(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 12343230 FARYXBXGJDGUEJ-SFQUDFHCSA-N 331.397 2.212 50 50 EEGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1cccc2ccccc12 198448 PMGIWLNJBGUXCB-AWEZNQCLSA-N 337.404 2.397 50 50 EEGA Cc1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1O 436140 OGFKULGQKZAYFA-UHFFFAOYSA-N 334.759 2.194 50 50 EEGA COCc1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1 1875386884 BXMVYJZFZGBLMT-UHFFFAOYSA-N 331.243 2.369 50 50 EEGA C[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCOCC1 20405731 CUUAFAOLFAIQJQ-INIZCTEOSA-N 337.423 2.276 50 50 EEGA O=C(Cc1cccc(F)c1F)NCCI 161925443 FQPJSGUTQWMMGF-UHFFFAOYSA-N 325.096 2.059 50 50 EEGA Cc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1 5042319 LNQUSQJVNVIASR-UHFFFAOYSA-N 331.759 2.048 50 50 EEGA COC(=O)N1C[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21 254343109 UOXRQXOWNBYVAE-RULNZFCNSA-N 327.016 2.374 50 50 EEGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1Cl 63747 BDRMUFIGTJUOOS-UHFFFAOYSA-N 349.730 2.088 50 50 EEGA Cc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 36372832 ASJZAKZZFDGAMX-ROUUACIJSA-N 329.407 2.350 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 2898061 MXCXBMUXPIZEJD-YBFXNURJSA-N 329.331 2.313 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 2901265 LUNDMNOHOUQWBW-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA O=C1OC(=O)C2=C1CC(CBr)=C(CBr)C2 101082839 WBHUGVGIAVCCCW-UHFFFAOYSA-N 335.979 2.247 50 50 EEGA CCc1n[nH]c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c1C 5353566 WJDYWMNCGKHWQR-GIJQJNRQSA-N 346.387 2.070 50 50 EEGA CN(C)c1ccc(/C=C(\C#N)c2nc(C#N)c(N)c(C#N)c2N)cc1 4453701 ZYJABEWWGNXEII-KPKJPENVSA-N 329.367 2.120 50 50 EEGA CCC(C(=O)N/N=C/c1ccccc1)C(=O)N/N=C/c1ccccc1 39959600 RHLMGXSISXUGPV-KVVJQUGZSA-N 336.395 2.313 50 50 EEGA CC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2cccnc2)CC1 4703142 AESLWXVKADSMIK-UHFFFAOYSA-N 330.432 2.406 50 50 EEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1 2553702 YOFHLMLDHNMDCD-KEBDBYFISA-N 345.786 2.229 50 50 EEGA N#CC(=CNc1cccc(OC(F)(F)C(F)F)c1)c1nn[nH]n1 2053556426 DFTQRBSIROYZJC-UHFFFAOYSA-N 328.229 2.413 50 50 EEGA CCOc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1O 535917 LITVKEOBYMDJKP-VCHYOVAHSA-N 330.388 2.214 50 50 EEGA Cn1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)n1 621478 CQZCTCIDGYUXKF-UHFFFAOYSA-N 328.159 2.193 50 50 EEGA O=C(N/N=C/c1ccc(I)o1)c1ccncc1 438263 ZXIVJHBTLZALKK-VGOFMYFVSA-N 341.108 2.043 50 50 EEGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/C1=COCCO1 3121599 ZMFDXSZZHLOIHN-OMCISZLKSA-N 331.155 2.362 50 50 EEGA CN(CC(=O)NCCSSCCC(=O)O)c1ccccc1 1875362056 OHTXAHGYOVBFRE-UHFFFAOYSA-N 328.459 2.095 50 50 EEGA CCc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 4812822 REFBGBLZWQRUIP-CQSZACIVSA-N 326.356 2.207 50 50 EEGA NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 1069039 DYLJRFMJGREFJR-KOLCDFICSA-N 343.284 2.286 50 50 EEGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCN2C(=O)CN=C2O)C1 328599671 SUSLZTFZBJZPBN-CYBMUJFWSA-N 341.528 2.229 50 50 EEGA O=C(NNC(=O)c1ccc(Br)c(O)c1)c1ccccc1 132847129 SVMJFLBWWMWPKB-UHFFFAOYSA-N 335.157 2.230 50 50 EEGA Cc1cc2c(c(=O)o1)[C@H](c1coc3ccccc3c1=O)C(C#N)=C(N)O2 4990394 ZATKNACZJNQRRW-HNNXBMFYSA-N 348.314 2.273 50 50 EEGA C=CCn1c(SCC(=O)NN)nnc1[C@@H](C)Nc1ccc(C)cc1 34925125 YCFRCZKJZMWJHU-GFCCVEGCSA-N 346.460 2.028 50 50 EEGA CCCc1[nH]nc2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 5095065 QFDSVQRPGBAPSJ-ZDUSSCGKSA-N 325.328 2.489 50 50 EEGA Cc1cccc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 36234015 SORMUSUSZLOTHL-RQZCQDPDSA-N 329.312 2.138 50 50 EEGA COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c(OC)c1 33716433 XDUCHYAULGNANF-VCHYOVAHSA-N 330.388 2.127 50 50 EEGA C[C@@H](Cl)C(=O)N1CCn2c(Cc3c(F)cccc3F)nnc2C1 1875380440 OZMIJNGCLHISPX-SECBINFHSA-N 340.761 2.117 50 50 EEGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccc(O)cc1 91191 WXXXSSFKELFHAE-AWEZNQCLSA-N 331.335 2.395 50 50 EEGA CN(NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1 726981259 PCAZHGNOBQASEF-MRXNPFEDSA-N 327.359 2.346 50 50 EEGA C[C@@H](Oc1ccccc1F)C(=O)NNc1nc(-c2ccncc2)no1 728072729 YLEWSECFSJZNEA-SNVBAGLBSA-N 343.318 2.181 50 50 EEGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@@H]2C1 5645989 XGQLQCMYFCUFQK-SJORKVTESA-N 333.395 2.415 50 50 EEGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)cc2)cc1 2553593 ZMZGRDRTFNCBLA-CIAFOILYSA-N 339.395 2.274 50 50 EEGA C[C@H](C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCOCC1 20405729 CUUAFAOLFAIQJQ-MRXNPFEDSA-N 337.423 2.276 50 50 EEGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(Cl)c(Cl)cc21 169745073 BRRPGLYHNRRPNX-UHFFFAOYSA-N 329.976 2.411 50 50 EEGA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(B(O)O)c1 169747443 UYSSHRQLWIRFRP-UHFFFAOYSA-N 327.023 2.086 50 50 EEGA in-vitro N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCC=C12 19758423 OFZHUKWHABAHGS-XOBRGWDASA-N 341.374 2.387 50 50 EEGA Cc1cc(N2CC[C@@H](NC(=O)CCl)C2=O)ccc1Br 1875377644 JQTNOESGOZAKOZ-LLVKDONJSA-N 345.624 2.218 50 50 EEGA CN(C)N1C(N)=C(C#N)[C@H](c2cccnc2)C2=C1CC(C)(C)CC2=O 458666 JSNSUHXPKBLWLK-INIZCTEOSA-N 337.427 2.294 50 50 EEGA Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3Cl)nc2n1 131923 KSIAKUVNHGPSJO-CAOOACKPSA-N 328.763 2.158 50 50 EEGA O=C(N/N=C/c1cc(Cl)ccc1O)[C@@H]1COc2ccccc2O1 291058 ASWQHOBBWZNAFX-AOVQIXHVSA-N 332.743 2.336 50 50 EEGA O=S(=O)(NCCBr)c1cccc(Br)c1 15442752 DUTLJDJGWBKOJZ-UHFFFAOYSA-N 343.040 2.122 50 50 EEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1 3147330 UINOFJZIYDUKGZ-QGMBQPNBSA-N 345.742 2.158 50 50 EEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 354026 FDNZRTSJEQHYCU-VCHYOVAHSA-N 336.307 2.200 50 50 EEGA O=C(Nc1cccc(Cl)c1Cl)c1ccc(B(O)O)c(F)c1 169744465 PCVXAACVCBLUTD-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA OB(O)c1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1 170002433 JAGICKLRGLKBGT-UHFFFAOYSA-N 334.955 2.390 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2566419 FJOZWCGKDYNVLE-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA CC(=O)OC[C@@]12O[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2O 257355340 AHRUARRIPBIMIK-DOCVPZNWSA-N 330.497 2.478 50 50 EEGA C[C@@H](Cl)C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1875369777 GZYJTSRRMLVAFX-SCZZXKLOSA-N 334.725 2.250 50 50 EEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 5020188 NTTUARXTKDGXSG-AWEZNQCLSA-N 333.438 2.252 50 50 EEGA COc1ccccc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 491710 RLGKYWDUHWXFDK-LICLKQGHSA-N 329.312 2.133 50 50 EEGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccnc1 1427047 OOXCTABVWHEXNI-OAHLLOKOSA-N 330.347 2.152 50 50 EEGA CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)C[C@H](C)C1 377506 BFCUIWBHYFBFLI-NSHDSACASA-N 345.399 2.202 50 50 EEGA Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1 294387615 OMANRKBDCODFKY-CQSZACIVSA-N 347.415 2.118 50 50 EEGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(C)=O 288253 ACOSMWWQLPELNO-YBFXNURJSA-N 342.351 2.150 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc(OC)c1O 432840 GUCHVRUNVYOLEO-YBFXNURJSA-N 343.383 2.239 50 50 EEGA Cn1cc(Cl)c(C(=O)NNC(=S)Nc2cccc(Cl)c2)n1 13554911 VRDJGDHKJLAHNA-UHFFFAOYSA-N 344.227 2.358 50 50 EEGA COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 333504 FCZGZWKOXZTFHW-UHFFFAOYSA-N 349.730 2.332 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 373089 IXECRYIURURBIM-GJZGRUSLSA-N 330.384 2.238 50 50 EEGA CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)C(=O)CCl)C1 1875370205 FXGJCWGVINXHKT-UHFFFAOYSA-N 346.855 2.100 50 50 EEGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1CCCC2=O 74979 FPQIRLAHUWZINC-INIZCTEOSA-N 326.375 2.402 50 50 EEGA CC(=O)N/N=C/c1cc(Br)cc(Br)c1O 369205 WYIHPXHROKWLNC-UUILKARUSA-N 335.983 2.387 50 50 EEGA O=C(O)CCCC(=O)NNC(=O)c1ccc(OC2CCCC2)cc1 2110872 MKZKEOQZWNYPEF-UHFFFAOYSA-N 334.372 2.024 50 50 EEGA O=[N+]([O-])O[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245296649 NDEIAEDRWXLTEG-RSJOWCBRSA-N 328.596 2.026 50 50 EEGA CCOc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1O 73065 RVCKFBICUSHAOD-KEBDBYFISA-N 338.367 2.291 50 50 EEGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 245226920 SPAIGCYAYRPRTJ-WBCKIYSJSA-N 333.344 2.282 50 50 EEGA CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1COc2ccccc2O1 1148213334 WWAHKXWHAJUPPA-MRXNPFEDSA-N 342.351 2.126 50 50 EEGA CC(C)[C@@H](Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1635532 RGIHFSFFOHEHAX-NWDGAFQWSA-N 328.206 2.218 50 50 EEGA COc1ccc(/C(C)=C/C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875349717 JXRDNEWUVDWOPS-PKNBQFBNSA-N 325.372 2.155 50 50 EEGA CCOc1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1 181603 LIOXLNGJNNIMCH-CPNJWEJPSA-N 337.383 2.370 50 50 EEGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1 4372685 BDPSTLLBQTWDHP-JDAJCMJVSA-N 329.312 2.218 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)Cn2cnc3ccccc32)c1 72637 HYTBIPDPUGVTJQ-KEBDBYFISA-N 338.367 2.204 50 50 EEGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccncc1 301152 PJRSNUXVUUKTEJ-REZTVBANSA-N 348.156 2.337 50 50 EEGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2cccs2)cc1 3091249 HZKCKHXKFADSLX-UHFFFAOYSA-N 333.369 2.391 50 50 EEGA Cn1c(SCC(=O)N/N=C/c2ccncc2)nc2ccccc21 55593 RJNOOJAMDJTLDA-VCHYOVAHSA-N 325.397 2.211 50 50 EEGA O=C([C@@H]1CN(C(=O)[C@@H](F)Cl)c2ccccc2O1)N1CCCCC1 2325901613 NOLAACMFHDTRDY-UONOGXRCSA-N 340.782 2.328 50 50 EEGA CCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 4812843 AXFHMAWMXYZDMM-AWEZNQCLSA-N 326.356 2.207 50 50 EEGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)Cc1ccccc1 252536270 IAOVCULAMHXJEU-DEDYPNTBSA-N 334.379 2.167 50 50 EEGA COc1cccc(/C=N/NC(=O)CCn2cnc3ccccc32)c1O 181274 MFPMSIIOJFDTFF-RGVLZGJSSA-N 338.367 2.291 50 50 EEGA Cc1cc(C(=O)NNC(=S)NCc2ccco2)c2ccccc2n1 15528172 UFGAPNUZORCMJL-UHFFFAOYSA-N 340.408 2.445 50 50 EEGA CC[C@H](NC(=O)CCl)c1ccccc1OCC(=O)N1CCCC1 1319785694 IZLDZNGJDDUJFB-AWEZNQCLSA-N 338.835 2.494 50 50 EEGA Cc1cc(Br)c(OCc2ccccc2F)c(B(O)O)c1 169877192 RJFAJIGWAZAOBQ-UHFFFAOYSA-N 338.969 2.155 50 50 EEGA in-vitro Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(O)cc1O 1960265 MNJKBXCNMPCPCA-YBFXNURJSA-N 341.367 2.275 50 50 EEGA Cc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 2892228 FCYRMBMLIIEOIH-RGVLZGJSSA-N 329.787 2.415 50 50 EEGA Cc1ccc(NC(=O)NNC(=O)[C@H]2CC(c3cccs3)=NO2)cc1 5751813 RCOJKSRFEDTLBR-CYBMUJFWSA-N 344.396 2.402 50 50 EEGA COC(=O)c1sccc1NC(=O)NNC(=O)c1ccccc1C 17068547 NBFYLVUTCRIPIO-UHFFFAOYSA-N 333.369 2.310 50 50 EEGA Cc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 32565727 LTFITLHYERKRTR-MFOYZWKCSA-N 329.312 2.138 50 50 EEGA O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1cccs1 2380971 ZDRYAGCHEQCFTC-UHFFFAOYSA-N 339.829 2.351 50 50 EEGA C[C@@H]1CN(c2cccc(CN(C)C(=O)[C@@H](C)Cl)c2)S(=O)(=O)C1 1875366395 GXNOMLOLCWNNHH-VXGBXAGGSA-N 344.864 2.058 50 50 EEGA CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1 6946601 XEYDOYYZNRLYQD-UHFFFAOYSA-N 335.473 2.456 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)c2cccnc2)c(OC)c1OC 4737845 NDJVDASZZHDKLT-YBFXNURJSA-N 329.356 2.261 50 50 EEGA CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2C)C1 170651589 DLIPRVBELYYFBC-ZDUSSCGKSA-N 348.403 2.016 50 50 EEGA NNC(=O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20365215 KCCDDDYSBXFMPZ-UHFFFAOYSA-N 334.729 2.270 50 50 EEGA Cc1nn(C)c(NNC(=O)c2ccc(OCC3CC3)cc2)c1C#N 1875344521 GPLWQKVAMYJASS-UHFFFAOYSA-N 325.372 2.146 50 50 EEGA O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc2ccccc12 13281340 BSWHBDMPGBZTOT-WSDLNYQXSA-N 332.363 2.001 50 50 EEGA Cc1c(C(=O)NNC(=S)NC[C@H]2CCCO2)oc2ccccc12 610152 SSIZCNMNENPWOI-LLVKDONJSA-N 333.413 2.029 50 50 EEGA C[C@@H](Cl)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 1875366487 NZTHIXCXIHUUJJ-SSDOTTSWSA-N 342.774 2.223 50 50 EEGA CC(=O)O[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238372 MALAWQUOUSCHNB-WNJXEPBRSA-N 325.636 2.381 50 50 EEGA NC(=O)[C@]1(c2ccccc2)CCN(C(=O)C2CCC(Cl)CC2)C1 1353962825 IIIPFSOBJKMROQ-LEHRNKBSSA-N 334.847 2.440 50 50 EEGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccc(Cl)cc1 6889036 MTMHZWNMXNWPRR-UHFFFAOYSA-N 344.714 2.334 50 50 EEGA COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)c(OC)c1 333446 NQAYBVJSYIFDJC-UHFFFAOYSA-N 334.759 2.432 50 50 EEGA O=C(CSc1ncn[nH]1)N/N=C/c1ccc(C(F)(F)F)cc1 8971808 DCQSVEPKSVOCPG-YAXRCOADSA-N 329.307 2.066 50 50 EEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1O 238874 VLFCISRRIFVYML-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA O=C(CNC(=O)c1ccccc1F)N/N=C/C=C/c1ccccc1 2895574 YHVCVPVYYBRMTA-XZHCKZKCSA-N 325.343 2.371 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 12343070 XOZFENCUXRUYOP-GYKGCMEESA-N 343.339 2.177 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 36182 OWNUPBHMJRSEAG-CQSZACIVSA-N 329.312 2.240 50 50 EEGA N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 3116974 XCUXMWLYXBEUQO-LSDHHAIUSA-O 326.763 2.375 50 50 EEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cc1cccs1 350678 LFEJYMDHLCILKN-LICLKQGHSA-N 334.397 2.467 50 50 EEGA COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(Cl)c1 299524 JWUIBYRVRPYFAR-UHFFFAOYSA-N 334.759 2.432 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1ccc(Cl)cc1Cl 4990345 DEFICTSQOULUBB-LZYBPNLTSA-N 332.256 2.492 50 50 EEGA O=S(=O)(NCCBr)c1cccc(C(F)(F)F)c1 2570347 ULTDKFSWCLFKTC-UHFFFAOYSA-N 332.141 2.379 50 50 EEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2)cc1 3081496 HBYOPSCMERUJLW-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA CNC(=O)c1cc(Oc2cccc(CNC(=O)CCl)c2)ccn1 1875384947 YXVXRNOKJAVRCW-UHFFFAOYSA-N 333.775 2.089 50 50 EEGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccco1 4330871 APJSRVVBYIJUNA-CNHKJKLMSA-N 340.166 2.467 50 50 EEGA C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1c(O)cc(C)oc1=O 5022762 LVMGKGGLFMBMBJ-NYSXYVASSA-N 326.352 2.298 50 50 EEGA Cc1ccccc1OCC(=O)NNC(=S)NCc1ccccc1 6451773 XBAQNQQSWDWDOR-UHFFFAOYSA-N 329.425 2.069 50 50 EEGA Cn1cc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2cnn(C)c2)cn1 2749325 MYMGTGCTQDNXJC-SDTVSMOJSA-N 348.410 2.483 50 50 EEGA CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1 408517285 FNMJWQDTDZLSMY-GJZGRUSLSA-N 334.420 2.284 50 50 EEGA CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c2ccccc21 1420898 AZXBKNGEIZGIDU-PRWKNARSSA-N 349.390 2.268 50 50 EEGA CC(=O)c1ccc(NC(=S)NNC(=O)Cc2ccccc2)cc1 5944176 OCPFLQXXEUCDMI-UHFFFAOYSA-N 327.409 2.450 50 50 EEGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 381583 BFVKBWNMHUDEKW-VCHYOVAHSA-N 328.372 2.258 50 50 EEGA CC(=O)Nc1ccc(/C=N/NC(=O)CN2CCCCCCC2)cc1 293562 IMMXTSGHEBCRTA-CPNJWEJPSA-N 330.432 2.361 50 50 EEGA Cc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229203 AAJAHHZAYMXDMV-RGVLZGJSSA-N 335.363 2.366 50 50 EEGA CNC(=O)/C(C#N)=C/c1c(Br)cncc1Br 253426064 NAXSTAADWZKTRO-QHHAFSJGSA-N 344.994 2.260 50 50 EEGA O=C(Nc1c(Cl)cccc1Cl)c1cc(F)cc(B(O)O)c1 169744110 CBZHNYVWIDCNCO-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)NCc1ccccc1 4499351 WNOYJAVJUUGJFB-VBKFSLOCSA-N 337.379 2.340 50 50 EEGA CCc1c(C)nc(=N)n2c1SC[C@@H]2CI 334157404 NSMQLXJZSIAWNS-ZETCQYMHSA-N 335.214 2.315 50 50 EEGA COc1c(F)cc(F)cc1NNC(=O)c1cn(-c2ccccc2)nn1 1875261749 IYDWNBQDEZXIIR-UHFFFAOYSA-N 345.309 2.311 50 50 EEGA COc1cc(OC)c(/C=N/NC(=O)Cc2cccs2)c(OC)c1 549160 QJBYYFVYCIFQPJ-LICLKQGHSA-N 334.397 2.467 50 50 EEGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@@H]2C1 106233691 XGQLQCMYFCUFQK-IAGOWNOFSA-N 333.395 2.415 50 50 EEGA COc1cccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 60309 AONDZEQFFIIMES-YBFXNURJSA-N 344.367 2.485 50 50 EEGA Cc1nnsc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 5792584 OUNKSWOKFHTGCX-WLRTZDKTSA-N 325.737 2.172 50 50 EEGA C[C@@H](Cl)C(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 1875379973 BEVXLJRIWKJKOZ-BDAKNGLRSA-N 327.793 2.325 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@H]2C1 4453443 KXDZLJNESJMRQY-RDJZCZTQSA-N 333.370 2.181 50 50 EEGA Cc1cc(F)ccc1[C@@H](NCC(F)(F)F)C(=O)NNC(=O)C(C)C 1776005839 KHKFRLVPARGCNY-GFCCVEGCSA-N 349.328 2.131 50 50 EEGA COc1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C 17072564 FRUOZDWWTGCHNM-UHFFFAOYSA-N 349.412 2.327 50 50 EEGA CC(C)[C@H](Br)C(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 239302609 FMBWOYZHZAVDEE-AVGNSLFASA-N 339.233 2.357 50 50 EEGA O=S1(=O)C[C@@H](Cl)[C@H](/N=C(\Cl)C(Cl)(Cl)Cl)C1 100834350 PTZPPDSDYQMOKF-XJDVATQESA-N 333.451 2.398 50 50 EEGA COc1nccnc1NNC(=O)c1sccc1Br 132114582 UQOSKFYSRDGUJH-UHFFFAOYSA-N 329.179 2.066 50 50 EEGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1O 257258 UZHRZEMHYLDVFA-RQZCQDPDSA-N 345.311 2.082 50 50 EEGA O=C1c2ccccc2C(=O)N1C[C@@H](Br)CBr 254550 NTYJFWXYFULYQN-ZETCQYMHSA-N 347.006 2.441 50 50 EEGA COC(=O)[C@@H](Br)CCC[C@H](Br)C(=O)OC 1565826 AWWJYEJSCIDADZ-BQBZGAKWSA-N 346.015 2.030 50 50 EEGA C/C(=N\NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2)c1ccncc1 13331855 VVDZJFHQFWZEJY-ZGXHQARYSA-N 327.340 2.118 50 50 EEGA CCN1C(=O)/C(=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 16677867 OHDFZSBFESPHKJ-OBGWFSINSA-N 338.323 2.095 50 50 EEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2571759 CZQQHOKNEOUJIM-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(O)c(O)c1 238871 QUCLIQDCAXIVBW-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1cccnc1 16309969 FDZHFPFMNHNCOE-MRXNPFEDSA-N 347.330 2.420 50 50 EEGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2ccccc2)n[nH]1 6493997 GGPGFICWTWWURT-UHFFFAOYSA-N 331.335 2.163 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccc(F)c1 2859795 IKKJFHVPZBZYMK-FRKPEAEDSA-N 348.246 2.112 50 50 EEGA CCCc1[nH]nc2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 4631493 IXGWYMNIBFIIOR-CQSZACIVSA-N 338.367 2.367 50 50 EEGA COCc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)ccc1OC 372378 RVGYHHXRGSBCPA-MRXNPFEDSA-N 344.367 2.096 50 50 EEGA Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)Nc2cn(C)nc2C)cc1 2794644 JIGSCIPDGCYFJB-UONOGXRCSA-N 343.456 2.158 50 50 EEGA CCc1[nH]nc2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 18143959 WWLAEOVAMZWVOA-ZDUSSCGKSA-N 326.356 2.207 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 1921800 PBGDIAIJNLJEKI-LICLKQGHSA-N 328.328 2.130 50 50 EEGA CCCc1[nH]nc2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 4631492 IXGWYMNIBFIIOR-AWEZNQCLSA-N 338.367 2.367 50 50 EEGA Cc1nc(C)c(C(=O)NN=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)s1 23549754 NXADIZBONKMYGT-UHFFFAOYSA-N 347.400 2.498 50 50 EEGA N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCC=C12 50146 OFZHUKWHABAHGS-VLIAUNLRSA-N 341.374 2.387 50 50 EEGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc2c(c1)OCO2)OCO3 2838294 IEWBNWOJNFHUSO-QGZVFWFLSA-N 336.303 2.362 50 50 EEGA O=C(CSCc1c(F)cccc1Cl)NNC(=S)NC1CC1 17072322 RHHDGJLFOZXXHX-UHFFFAOYSA-N 347.868 2.370 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(C)=O 250761 NVOVMWCDQMVLTF-VCHYOVAHSA-N 328.324 2.090 50 50 EEGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1 2883066 XWZPNJJRVMDVGH-UHFFFAOYSA-N 329.356 2.483 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 136228833 MMHFIMVWQGGKJL-YHUYYLMFSA-N 344.411 2.318 50 50 EEGA C[C@@H](Cl)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 1875364321 NUVFOHWNMAAREE-DOMZBBRYSA-N 337.851 2.419 50 50 EEGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 298885 SOYKYCMTBUUALG-UHFFFAOYSA-N 349.730 2.088 50 50 EEGA COc1ccc2c(c1)OC/C2=N\NC(=O)COc1ccccc1C 43761321 JZJVXDOYCAIDHA-XDJHFCHBSA-N 326.352 2.295 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)CCn1nnc2ccccc21 181585 MCOUQKKYQJZNHT-CPNJWEJPSA-N 337.383 2.370 50 50 EEGA COc1ccc(/C=N/NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC 253432900 PNGUSOOBEYBTAD-WOJGMQOQSA-N 343.339 2.305 50 50 EEGA O=C(Cc1noc2ccccc12)NNC(=S)Nc1ccccc1 1395313 RHVACLMEUQDVAQ-UHFFFAOYSA-N 326.381 2.388 50 50 EEGA O=C(CCC1CCCCC1)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239046610 FTTSTKILMGSBSU-WMHQRMGPSA-N 336.432 2.241 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 264701 BCOVMFIOKVHCPE-VCHYOVAHSA-N 330.388 2.488 50 50 EEGA O=S1(=O)C[C@H](Cl)[C@H](/N=C(\Cl)C(Cl)(Cl)Cl)C1 100834355 PTZPPDSDYQMOKF-QUTYHKKJSA-N 333.451 2.398 50 50 EEGA COc1cc(C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC 261964 HFXTWISSQFHWEF-VCHYOVAHSA-N 330.340 2.182 50 50 EEGA C[C@H](Cl)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 1875377579 HPPBALMNYBJMLW-DOTOQJQBSA-N 335.879 2.032 50 50 EEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)c(O)c1 238861 KHEOVOCNXLEQDC-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA CC1(CC(=O)N/N=C/c2cccc(Br)c2)OCCO1 432135 YIUYYALRRHAFSY-OQLLNIDSSA-N 327.178 2.052 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1 2387528 UBRWNLUFGXVKKN-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1 278812 WOCWALASTYRSJI-CYBMUJFWSA-N 346.408 2.416 50 50 EEGA COc1ccc(/C=N/NC(=O)CN2CCCCCCC2)c(OC)c1 293217 NNPUCSQPFIWIOQ-CPNJWEJPSA-N 333.432 2.420 50 50 EEGA Cc1n[nH]c2c1[C@@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2 18115619 CJZTZOWANLKCII-ZDUSSCGKSA-N 330.731 2.318 50 50 EEGA N#CC1=C(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CCC1 1052524 BVAJFSOAVCNEEH-UHFFFAOYSA-N 325.280 2.393 50 50 EEGA O=C(NNS(=O)(=O)c1ccccc1)c1sccc1-n1cccc1 5947552 ZDXHZBZBXRIWKT-UHFFFAOYSA-N 347.421 2.162 50 50 EEGA CCOc1c(Cl)cccc1CC(=O)NNc1c(C#N)c(C)nn1C 1875344466 DQRGPWIWEPJMFV-UHFFFAOYSA-N 347.806 2.338 50 50 EEGA N#Cc1cc(F)c(S(=O)(=O)N2CCSSCC2)c(F)c1 952961864 QGHNXFNIRANHDC-UHFFFAOYSA-N 336.410 2.222 50 50 EEGA C=CN(CCNCCC[Si](OC)(OC)OC)Cc1ccccc1 195893107 ICRFXIKCXYDMJD-UHFFFAOYSA-N 338.524 2.490 50 50 EEGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 2568386 VPFLEKSOXMGMIG-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA CCc1n[nH]c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 32513705 WTYKZVZCMOKBKZ-AWEZNQCLSA-N 326.356 2.207 50 50 EEGA COCCN(C)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 288611757 UUNMUHLKLXVXFI-UHFFFAOYSA-N 349.456 2.182 50 50 EEGA Cc1ccc(-n2nc(C(=O)NNC(=O)C3CC3)c3c2CCC3)c(C)c1 170622622 YGEMIPUOBCDRRY-UHFFFAOYSA-N 338.411 2.149 50 50 EEGA COc1cccc(/C=N/NC(=O)Cn2cnc3ccccc32)c1OC 72584 AOFRCCAFQXHIKG-KEBDBYFISA-N 338.367 2.204 50 50 EEGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C1[C@@H]2CCCC[C@@H]12 100045274 XNJQXVOJJPLFJV-HWJPQADQSA-N 331.328 2.210 50 50 EEGA Cc1nnc(SCC(=O)N/N=C/c2ccco2)n1-c1ccccc1 435231 MCXLHPVUVWZUSD-LICLKQGHSA-N 341.396 2.411 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1 3084116 XFOITPNKUGUMTF-YBFXNURJSA-N 341.367 2.101 50 50 EEGA CCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 17068521 BSWCKXXPYBVQRB-SECBINFHSA-N 333.310 2.213 50 50 EEGA CC(C)[C@H](Br)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1635533 RGIHFSFFOHEHAX-NEPJUHHUSA-N 328.206 2.218 50 50 EEGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 4770983 HVXSXZNJXTURRO-AWEZNQCLSA-N 342.376 2.072 50 50 EEGA COC(=O)N[C@@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 3121696 LGQCFIMPAAQOQD-SNVBAGLBSA-N 326.201 2.255 50 50 EEGA COc1cc(OC)cc(N2CCCN(C(=O)[C@H](C)Cl)CC2)c1 1875364152 FULZZAOCDUEDPR-LBPRGKRZSA-N 326.824 2.370 50 50 EEGA Nc1nnc(CC(=O)N/N=C/c2c(Cl)cccc2Cl)s1 66412 VZNFUYJWNNKZGF-PJQLUOCWSA-N 330.200 2.120 50 50 EEGA COc1ccc2c(c1)/C(=N/NC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)N2 17071493 ZEIPLKQFTSROPA-CYBMUJFWSA-N 342.182 2.052 50 50 EEGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1 4210591 PNDUUZUEOFZUMW-KEBDBYFISA-N 345.786 2.229 50 50 EEGA C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(-n2ccnc2)cc1 13322511 WSPYBANCHMGBOQ-UDWIEESQSA-N 336.351 2.438 50 50 EEGA NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C2CCC(Cl)CC2)C1 1353962826 IIIPFSOBJKMROQ-RWKZGTHUSA-N 334.847 2.440 50 50 EEGA NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 1069044 DYLJRFMJGREFJR-GXSJLCMTSA-N 343.284 2.286 50 50 EEGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 2566446 DNIRVLUFCMLUEO-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA CCc1c(C)nc(=N)n2c1SC[C@H]2CI 334157401 NSMQLXJZSIAWNS-SSDOTTSWSA-N 335.214 2.315 50 50 EEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 2195515 HLVXDTRRGSUWNQ-GIJQJNRQSA-N 344.371 2.077 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 59604 OKTAHYIBQBPCBY-LICLKQGHSA-N 329.312 2.376 50 50 EEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 100847042 TWRBWNXIGNUIAF-MIUNIBSDSA-N 341.198 2.346 50 50 EEGA CN(C)c1cccc(C(=O)N/N=C/c2cc(C(F)(F)F)n[nH]2)c1 1875264803 HOWATMXFJMTPIT-QGMBQPNBSA-N 325.294 2.258 50 50 EEGA COc1cc(/C=N/NC(=O)[C@H]2CC23CCC3)c([N+](=O)[O-])cc1OC 271290 HIKZHNDZVKIOJZ-LBFZPMSMSA-N 333.344 2.252 50 50 EEGA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)c1C 107984 JMNBJIYWOZZBHJ-UHFFFAOYSA-N 343.792 2.270 50 50 EEGA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCSS(=O)(=O)O 2839287 RQTMESUZPCCKKN-JTQLQIEISA-N 342.442 2.141 50 50 EEGA C=CCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 100730150 IAELIPKBENZLFN-CIAFOILYSA-N 348.362 2.052 50 50 EEGA N#C/C(=C\c1ccc(O)c(C(=O)O)c1)C(=O)NCCc1ccccc1 491106458 SFMXTUOISXPLEP-XNTDXEJSSA-N 336.347 2.356 50 50 EEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OC 32181173 FUXLATKQQSCIJK-YBFXNURJSA-N 341.367 2.101 50 50 EEGA C[C@H](Cl)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 1875364329 NUVFOHWNMAAREE-WFASDCNBSA-N 337.851 2.419 50 50 EEGA CCOc1cc(OC(=O)c2cnn3cccnc23)ccc1[N+](=O)[O-] 170611871 QEHIWYVUXSUCEV-UHFFFAOYSA-N 328.284 2.255 50 50 EEGA CC(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B(O)O)c1 169744199 BUQOWHKWLSUFNH-UHFFFAOYSA-N 331.608 2.071 50 50 EEGA COc1ccc(C(=O)NCCSSCCC(=O)O)c(OC)c1 1875389023 YVXPFIBIXNNHPI-UHFFFAOYSA-N 345.442 2.290 50 50 EEGA COc1cc(C)c(CN(C[C@H]2CCCO2)C(=O)CCl)c(C)n1 1875382927 XTFQXUAWHHYQNC-CYBMUJFWSA-N 326.824 2.453 50 50 EEGA CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1 276332 UIFPCJBXTXJJGK-UHFFFAOYSA-N 325.368 2.418 50 50 EEGA CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 377626 XFINPFRHZCOACG-LJQANCHMSA-N 335.363 2.022 50 50 EEGA CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 1420896 AZXBKNGEIZGIDU-BIBXISHDSA-N 349.390 2.268 50 50 EEGA O=S1(=O)[C@H]2C=C[C@H]1CC[C@H](Br)[C@@H]2Br 104188314 GVCCYCIGPUUNOH-KVPKETBZSA-N 330.041 2.029 50 50 EEGA O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccc2c(c1)OCO2 17072312 BNMTYHKWIBPHEN-UHFFFAOYSA-N 347.758 2.464 50 50 EEGA O=C(NC1CCCCC1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 245242246 QLBNPROECXKSMD-PTEOKISQSA-N 342.233 2.006 50 50 EEGA C[C@H](Cl)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 1875364328 NUVFOHWNMAAREE-SWLSCSKDSA-N 337.851 2.419 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c(OC)c1 263758 NKFYYKAHUMCLLN-VCHYOVAHSA-N 330.388 2.488 50 50 EEGA COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cccs2)cc1 2895230 MHMAIACDKOOBRS-XXDDWHJSSA-N 343.408 2.036 50 50 EEGA Cn1cccc1CC(=O)N/N=C/c1cc(Br)ccc1O 3166206 KMOWAIMUIFAEMZ-CXUHLZMHSA-N 336.189 2.186 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cccs2)c(C(=O)O)c1OC 308254 JYCNPZFYWHLFEG-LZYBPNLTSA-N 334.353 2.227 50 50 EEGA Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2C)cc1C 1801256 JUUHQKXDJYYMRV-UHFFFAOYSA-N 342.395 2.217 50 50 EEGA O[C@]1(c2ccccc2)[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](O)([C@H]5Br)[C@@H]24 239402948 RIHUMCWCXXFECL-YRQUKTINSA-N 333.225 2.140 50 50 EEGA O=C(CCl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 123165 NSUHLTKMBRDPDN-UHFFFAOYSA-N 331.806 2.121 50 50 EEGA in-vitro CC(C)Oc1ccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)cc1 6754426 JZWYXENRCOACBU-CYVLTUHYSA-N 327.340 2.088 50 50 EEGA Cc1ccc(/C=N/NC(=O)CNC(=O)Nc2ccc(F)cc2)cc1 2141312 AKNUOIWQOIVLKE-KEBDBYFISA-N 328.347 2.406 50 50 EEGA C/C(=N/NC(=O)c1ccn(C)n1)c1ccc(NC(=O)C2CCC2)cc1 15997868 PUFQSQOWXSBKQI-NDENLUEZSA-N 339.399 2.313 50 50 EEGA COc1cccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)c1 4347201 HQNFFCAXMTVELB-RGVLZGJSSA-N 336.351 2.265 50 50 EEGA C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 4544400 ZJJNLYJDTDDBFZ-RIYRZUHRSA-N 341.411 2.153 50 50 EEGA COc1cc(/C=N/NC(=O)[C@@H]2CC23CCC3)c([N+](=O)[O-])cc1OC 271293 HIKZHNDZVKIOJZ-DTQASYIRSA-N 333.344 2.252 50 50 EEGA COc1ccc(/C(C)=N/NC(=O)c2ccncc2)c(OC)c1OC 4737844 NZFZRYKSQWUNHR-YBFXNURJSA-N 329.356 2.261 50 50 EEGA COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC 100003570 VSRHXKGJJGRCCS-PWYFUHBBSA-N 347.371 2.498 50 50 EEGA C[C@H](Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 74941449 BZKOUDZUFUTPKR-JTQLQIEISA-N 339.804 2.448 50 50 EEGA C[C@H](Cl)C(=O)N1C[C@@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1 1875366958 KDXDCKQRVVTXNA-MMPTUQATSA-N 347.806 2.034 50 50 EEGA Cc1c(Cl)c(C(=O)NNC(=S)Nc2ccc(F)cc2)nn1C 13554746 RBFOVWBKOUSHJQ-UHFFFAOYSA-N 341.799 2.152 50 50 EEGA O=C([C@H]1CN(C(=O)[C@@H](F)Cl)c2ccccc2O1)N1CCCCC1 2325901614 NOLAACMFHDTRDY-ZIAGYGMSSA-N 340.782 2.328 50 50 EEGA C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)CC#N 18093687 GGSDPGDQYOCLGB-AWQFTUOYSA-N 326.278 2.440 50 50 EEGA CCCCN(CCCC)C(=O)C/C(C)=N/NC(=O)C[n+]1ccccc1 5503391 BVIYQRJFEIFJKJ-LVZFUZTISA-O 347.483 2.285 50 50 EEGA CCCOc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 5671930 FPZRNVUKRLYTLZ-XDHOZWIPSA-N 337.383 2.370 50 50 EEGA O=C(Nc1ccc(F)c(Cl)c1)c1ccc(B(O)O)c(Cl)c1 169744351 VTRPBBVQKKOOGA-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA Cc1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])c(C)c1 36047030 FHQLIOPNFMTURD-GIJQJNRQSA-N 343.339 2.446 50 50 EEGA CCNC(=S)NNC(=O)[C@H](C)Oc1c(Cl)cccc1Cl 6655158 SZZNRZHIXFNLMJ-ZETCQYMHSA-N 336.244 2.276 50 50 EEGA COc1ccc(OC)c(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1 529406 FRODHSDZOAQUQX-VCHYOVAHSA-N 330.388 2.127 50 50 EEGA CCCN(CCC)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 19286930 JBYLMZZDRYJZFO-HMMYKYKNSA-N 346.475 2.095 50 50 EEGA Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc(C#N)n1C 177968689 VYKFVZHEBRNZCD-MMRBDNFGSA-N 338.411 2.186 50 50 EEGA COc1ccccc1/C=N/NC(=O)N/N=C/c1ccccc1OC 431943 OWGDIIVCTDFKEG-GDAWTGGTSA-N 326.356 2.371 50 50 EEGA Cc1nnsc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 5792574 DQTKYHVIJSMIDF-WLRTZDKTSA-N 325.737 2.172 50 50 EEGA O=C(Cc1ccc(F)c(F)c1)NCCI 161938903 KWFGLKBIBXJTMR-UHFFFAOYSA-N 325.096 2.059 50 50 EEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)c2ccccc2C1=O 103825 XJMNNRJYYBTTFM-UHFFFAOYSA-N 348.358 2.419 50 50 EEGA O=C(CCl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1341509919 SAKZRARJCTXRRV-NSHDSACASA-N 332.734 2.138 50 50 EEGA C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1875366438 JMPMMZHBVWRWGE-GHMZBOCLSA-N 330.837 2.031 50 50 EEGA CC(C)(C)OC(=O)N1CC[C@@]2(CCOC2)[C@H](CNC(=O)CCl)C1 1875367957 DCJXXYXCRHGRKA-WBMJQRKESA-N 346.855 2.005 50 50 EEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc(O)c1 4258760 XYVLVXHKDMPSHA-WSDLNYQXSA-N 347.374 2.426 50 50 EEGA COc1ccc(CC(=O)NNC(=S)N[C@@H](C)c2ccccc2)cc1 2851904 WZEKGLDLIYCNIJ-ZDUSSCGKSA-N 343.452 2.494 50 50 EEGA O=C1c2sccc2[C@H](NC(=O)C(F)(F)F)[C@H]1Br 1386554 JORNURPRWBYZSD-UHNVWZDZSA-N 328.109 2.428 50 50 EEGA C[C@@H]1CN(C(=O)OC(C)(C)C)C/C1=N\NC(=O)c1ccncc1F 1875268701 NECVNYAUCBHBPE-MUSWWTGGSA-N 336.367 2.193 50 50 EEGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@H](O)c1ccccc1 354724 GLSFRISXRPXMNB-RIEVCORGSA-N 332.743 2.252 50 50 EEGA CC1(C)OB(c2ccccc2NC(=O)CBr)OC1(C)C 169936700 OXOVFHBKXUNIEM-UHFFFAOYSA-N 340.026 2.319 50 50 EEGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 44286 FLWGLQUNJRHGRE-HNNXBMFYSA-N 340.335 2.184 50 50 EEGA CC(C)[C@@H](Br)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1635534 RGIHFSFFOHEHAX-VXGBXAGGSA-N 328.206 2.218 50 50 EEGA Cc1c(C(=O)NNC(=S)NC2CCCCC2)cccc1[N+](=O)[O-] 611298 GFXSCNXSUIGAQQ-UHFFFAOYSA-N 336.417 2.345 50 50 EEGA COCCCNC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 2852725 MLAJDRKIMZBWHK-UHFFFAOYSA-N 343.452 2.499 50 50 EEGA Cc1cc(/C=C(\C#N)C(=O)N2CCNC(=O)CC2)c(C)n1CC(C)C 222163794 BXJPSZYZKCKABE-LICLKQGHSA-N 342.443 2.016 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1OC 3008948 MWXZYTDZYCFCGS-YBFXNURJSA-N 341.367 2.101 50 50 EEGA COc1cccc(OC)c1C(=O)NNC(=O)c1ccc(Cl)cc1 5721062 VMJXBRRTNUMMII-UHFFFAOYSA-N 334.759 2.432 50 50 EEGA COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2971105 JTWGLVMBVIIZNN-GXDHUFHOSA-N 340.335 2.314 50 50 EEGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 5248141 XXRVOIQBAGBSLX-LJQANCHMSA-N 332.363 2.077 50 50 EEGA CCOC(=O)/C(=N\Nc1ccccc1Cl)C(=O)CSC#N 15636960 QUUBIRXSMFIEKS-ATVHPVEESA-N 325.777 2.454 50 50 EEGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 4209315 DSCDOZMEPOQIOE-UDWIEESQSA-N 341.342 2.479 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 207083 KNYWMSRUFVTPAE-HNNXBMFYSA-N 328.324 2.060 50 50 EEGA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1 408517286 FNMJWQDTDZLSMY-HUUCEWRRSA-N 334.420 2.284 50 50 EEGA COc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 13687200 MVTRHYVYPOLGPZ-UHFFFAOYSA-N 328.290 2.499 50 50 EEGA Cc1nn(C)c(NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C#N 1875345379 YRAGXQTXEPWVOM-ZJUUUORDSA-N 329.326 2.412 50 50 EEGA O=C(N/N=C/c1cc(Cl)ccc1O)[C@H]1COc2ccccc2O1 291061 ASWQHOBBWZNAFX-RIEVCORGSA-N 332.743 2.336 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)ccc1OC 81068 MGKPGMYFBZIWHH-MRXNPFEDSA-N 344.367 2.349 50 50 EEGA Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)NCC(F)(F)F 170619920 IJJOHHVOWGAVCU-UHFFFAOYSA-N 342.277 2.156 50 50 EEGA C[C@@H](C[C@@H](C)O)N(Cc1cccc2nsnc12)C(=O)CCl 1875381833 IZWNOUJOTIWHPC-VHSXEESVSA-N 327.837 2.418 50 50 EEGA OB(O)c1cc(OCc2cccnc2)c(Cl)cc1C(F)(F)F 169955352 QZKFKIXASCXOFN-UHFFFAOYSA-N 331.486 2.013 50 50 EEGA CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2)cc1 2860055 HFLYYKFLRZMGHQ-UHFFFAOYSA-N 339.395 2.384 50 50 EEGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)c1 4326911 ZOROBQKERGFFGZ-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1c(F)cccc1Cl 1428090 ADHUPZHPZHRVKX-LBPRGKRZSA-N 348.717 2.143 50 50 EEGA O=C(O)CCSSCCNC(=O)C[C@@H]1CCC2(CCC2)O1 1875388830 RUMFEDBYPGAYSS-NSHDSACASA-N 333.475 2.451 50 50 EEGA COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2Cl)c1 436180 RVZBDGJNNSOUEF-UHFFFAOYSA-N 334.759 2.432 50 50 EEGA Cc1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(C)cc2)cc1 5539979 WACLDXKENXLZKR-ZIOPAAQOSA-N 336.395 2.294 50 50 EEGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] 342713 DNYIOUOQWKBFCQ-ZIAGYGMSSA-N 325.324 2.160 50 50 EEGA COc1ccc(Cl)cc1NC(=O)NNC(=O)CCCCCO 2143528 IINSKHHUCVPYLK-UHFFFAOYSA-N 329.784 2.054 50 50 EEGA CNC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1 4828649 VNLMRCGYROHXNH-YBFXNURJSA-N 327.340 2.177 50 50 EEGA O=C(CCl)N1CCn2c(C(F)(F)F)nc(Br)c2C1 1119989774 NHJQHTYGFGEEMO-UHFFFAOYSA-N 346.534 2.245 50 50 EEGA O=C(NNc1ccc(C(=O)O)cc1)/C(O)=C/C(=O)c1ccccc1 100331088 NPHOVZSUUNGCER-GDNBJRDFSA-N 326.308 2.153 50 50 EEGA O=C(N/N=C/c1ccc(O)c(O)c1)c1n[nH]c2c1CCc1ccccc1-2 5359262 HSRFCAWPUUPCEQ-KEBDBYFISA-N 348.362 2.350 50 50 EEGA CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O 505860 MDNZUZNLDQRRQR-LICLKQGHSA-N 329.312 2.463 50 50 EEGA CNC(=S)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6329523 RYGSJJBSMNFBCH-UHFFFAOYSA-N 337.408 2.036 50 50 EEGA C[C@]1(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1Br 243932065 BSCJTUQIAQJPDB-YFCNSXCBSA-N 337.217 2.111 50 50 EEGA O=C1C(=O)N(C[C@H](Br)CBr)c2ccccc21 2026373 LSOFBKAXYLACQD-SSDOTTSWSA-N 347.006 2.374 50 50 EEGA Cc1cn2cc(C(=O)NCCSSCCC(=O)O)sc2n1 2325895288 SSYKSVCDSNVXHV-UHFFFAOYSA-N 345.471 2.290 50 50 EEGA O=C(NC1CCC(NC(=O)C(Cl)Cl)CC1)C(Cl)Cl 475277 BHEPLVNETLYEMA-UHFFFAOYSA-N 336.046 2.137 50 50 EEGA Cn1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 291195 FCCDLHINYXHQMR-HGMDMCOWSA-N 335.363 2.468 50 50 EEGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1 193185 YMCYXHWRGNWJLP-MRXNPFEDSA-N 327.409 2.190 50 50 EEGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 95483024 BQZIQWUGPRNBSV-CAOOACKPSA-N 349.730 2.483 50 50 EEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1OC 46613 NHMCQPOTGPYTNK-VCHYOVAHSA-N 340.339 2.451 50 50 EEGA C[C@H]1CN(C(=O)C(Cl)Cl)[C@H](C)CN1C(=O)C(Cl)Cl 370540 SDOONCCYDHUSEZ-OLQVQODUSA-N 336.046 2.042 50 50 EEGA CCc1cnc(CC(=O)N2CCC3(CC2)C[C@@H]3Br)[nH]1 1775998709 GYNDETOSJYCSSS-NSHDSACASA-N 326.238 2.291 50 50 EEGA COc1cc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)ccc1O 138941 YWQWNESGFXOFTQ-VXLYETTFSA-N 338.367 2.209 50 50 EEGA Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1 8685092 VAKBHISWSLOVQV-UHFFFAOYSA-N 329.381 2.355 50 50 EEGA O=S(=O)(NCCBr)c1ccc(C(F)(F)F)cc1 15442758 JZHDCDSPBURCHF-UHFFFAOYSA-N 332.141 2.379 50 50 EEGA CC(=O)OCc1cc(C(=O)CBr)ccc1OC(C)=O 22016844 QVJPOKCPMZBJOX-UHFFFAOYSA-N 329.146 2.253 50 50 EEGA in-vitro O=C(N/N=C/c1ccc(O)c(O)c1)c1cncc(Br)c1 361702 YUBHCDNTASEDTR-FZSIALSZSA-N 336.145 2.019 50 50 EEGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccoc1C 229891704 QVRCJJDUOXMWKO-RJZRQDKASA-N 346.383 2.042 50 50 EEGA Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] 442940 GZTQDQIIXCPUSV-CSKARUKUSA-N 325.324 2.378 50 50 EEGA Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc(C#N)n1C 247644241 VYKFVZHEBRNZCD-PIJFNURGSA-N 338.411 2.186 50 50 EEGA COC(=O)c1sccc1NC(=S)NNC(=O)c1cccs1 2571167 KQJMXTTWZPJORD-UHFFFAOYSA-N 341.439 2.228 50 50 EEGA Cc1cc(Br)ccc1C(=O)NNc1c(C#N)c(C)nn1C 1875349869 QJDOSVKIJUEPNM-UHFFFAOYSA-N 348.204 2.428 50 50 EEGA CCOC(=O)/C(C#N)=C/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169745851 DNALFJBPPFISJQ-SDNWHVSQSA-N 327.189 2.456 50 50 EEGA in-vitro C[C@@]1(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl 2858141 PHTUSBRSADHCHV-NSHDSACASA-N 347.158 2.331 50 50 EEGA Cc1cc(O)nc(SCC(=O)NNc2nc3ccccc3s2)n1 15777327 IGLHBFSRSHLMQF-UHFFFAOYSA-N 347.425 2.336 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1 2533896 SYOGBRPRHYDXPF-YBFXNURJSA-N 341.367 2.052 50 50 EEGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)C1CC1 504727 JAISHORQCRIIHY-UHFFFAOYSA-N 347.596 2.039 50 50 EEGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1csc2ccccc12 17070653 VFCSSDOTVPGJQV-JTQLQIEISA-N 335.454 2.189 50 50 EEGA CC1(C)OB(c2cccc(NC(=O)CBr)c2)OC1(C)C 169936706 UVTPWSKSUQJQOW-UHFFFAOYSA-N 340.026 2.319 50 50 EEGA O=C(NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccs1 2900479 VRLGVGILWKZOFQ-UHFFFAOYSA-N 338.204 2.342 50 50 EEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1 6383153 YADHJOYOBXMXOG-VCHYOVAHSA-N 336.307 2.200 50 50 EEGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 4283496 PWQMRGIKTKHSBL-SRZZPIQSSA-N 343.358 2.105 50 50 EEGA C#CCCC1(CCC(=O)NNc2ccc(C(=O)OC)cc2F)N=N1 2325804325 FTIKSZJPPUUHNQ-UHFFFAOYSA-N 332.335 2.411 50 50 EEGA N#CC1=C(N)N=C(S)[C@H](C(N)=O)[C@@H]1c1ccc(Cl)cc1Cl 218503 UZHSBSIQKNYBSL-ZJUUUORDSA-N 341.223 2.214 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1 2573619 ZHCQBVXKERURLD-XDHOZWIPSA-N 325.368 2.346 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 207081 KNYWMSRUFVTPAE-OAHLLOKOSA-N 328.324 2.060 50 50 EEGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNc2cccc(C#N)n2)CC1=O 2325783548 GAQZGZFTENMNCP-ZFWWWQNUSA-N 349.394 2.006 50 50 EEGA O=C(Nc1cc(Cl)ccc1Cl)c1cc(F)cc(B(O)O)c1 169744210 RIYQHRIACCPXTP-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA COc1cc(C=C(C#N)C#N)cc(I)c1O 160503 BZIXGOBJBFWPTF-UHFFFAOYSA-N 326.093 2.436 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 291122 RJTYBUMCAIWVAI-HDZGYNCQSA-N 325.368 2.043 50 50 EEGA O=C1NCCc2cc(Br)c(NC(=O)[C@H](F)Cl)cc21 2325901812 ZQGOPGKXHLLQID-VIFPVBQESA-N 335.560 2.208 50 50 EEGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 283405 XLXVFWWYTQODIU-HNNXBMFYSA-N 337.335 2.125 50 50 EEGA Cc1cc(C)n(-c2ccc(C(=O)NNc3c(C#N)c(C)nn3C)cc2)n1 1875349899 RUWHHPKXXWHTNS-UHFFFAOYSA-N 349.398 2.160 50 50 EEGA O=C(COc1ccc(F)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 2519917 ZTRUBBLCEKAIKV-KEBDBYFISA-N 339.326 2.196 50 50 EEGA CCNC(=S)NNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 6655145 WKGYIRWZZYKIPY-SNVBAGLBSA-N 329.853 2.239 50 50 EEGA C[C@H]1CN(C(=O)OC(C)(C)C)C/C1=N\NC(=O)c1ccncc1F 1875268700 NECVNYAUCBHBPE-AUXBAGKGSA-N 336.367 2.193 50 50 EEGA C[C@H]1CN(C(=O)[C@H](F)Cl)CCN1C(=O)Cc1cccc(Cl)c1 2325898065 RDQIOTUGFLCZSI-HZMBPMFUSA-N 347.217 2.476 50 50 EEGA Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1C(F)(F)F 264834 WDHBGHKNAVMDHQ-CNHKJKLMSA-N 326.278 2.135 50 50 EEGA O=C(N/N=C/c1ccncc1)C(=O)Nc1cccc(Cl)c1Cl 2521927 YLVKYOTUOJDQLG-QGMBQPNBSA-N 337.166 2.477 50 50 EEGA COc1ccc(C(=O)N/N=C(/C=N/O)c2ccccc2)cc1OC 100301798 AOBZFUPKTIEOJB-ZJRYVYPNSA-N 327.340 2.298 50 50 EEGA COc1cc(/C=N/NC(=O)c2ccccc2O)c([N+](=O)[O-])cc1OC 271297 ZUFDAKPIDQIBQX-RQZCQDPDSA-N 345.311 2.082 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1 4292810 AOYALTCHTGVFTM-RQZCQDPDSA-N 346.730 2.337 50 50 EEGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)c1 1960203 KMKRBZXZXONGCY-YBFXNURJSA-N 341.367 2.275 50 50 EEGA C[C@@H](Cl)C(=O)NC1CC(N(CC(=O)OC(C)(C)C)CC2CC2)C1 1875380780 ZKJZQSDWHVAXTH-LMWSTFAQSA-N 344.883 2.315 50 50 EEGA CN(Cc1cccnc1)C(=O)[C@@H](NC(=O)CCl)c1ccccc1 1875384201 MAISQUQEOFJTBT-INIZCTEOSA-N 331.803 2.136 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cnccn2)cc1Br 522766 KFONIHVSIBAUSO-REZTVBANSA-N 335.161 2.012 50 50 EEGA Cc1cc2c(c(=O)o1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 281232 SDXLGWQGANTHJH-CYBMUJFWSA-N 325.280 2.075 50 50 EEGA biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(B(O)O)cc1 169809459 LRLZDRJPJDCDMH-UHFFFAOYSA-N 327.023 2.086 50 50 EEGA in-vitro CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@@H]2C1 6493580 XYNNGJLEXFDINF-IAGOWNOFSA-N 333.370 2.181 50 50 EEGA Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cccc(CCl)c1 253425358 SPKCBXXNDZIZLS-UHFFFAOYSA-N 326.805 2.233 50 50 EEGA O=C(CCCl)NNC(=O)Cc1ncc(C(F)(F)F)cc1Cl 263639872 MPTDQGGFHXFPER-UHFFFAOYSA-N 344.120 2.073 50 50 EEGA O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(B(O)O)c1F 169744712 URHVOCQJNPDOAL-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA COc1cc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc(OC)c1OC 5817893 QIRZYCHOZAVVAG-GIJQJNRQSA-N 344.371 2.077 50 50 EEGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC 9271530 MYOLRSSBQOGLLW-VCHYOVAHSA-N 330.388 2.488 50 50 EEGA CCc1n[nH]c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 4812844 AXFHMAWMXYZDMM-CQSZACIVSA-N 326.356 2.207 50 50 EEGA Cc1scc(C(=O)NNC(=S)NC(=O)c2ccccc2)c1C 6527618 YOFASBBZCWFUNX-UHFFFAOYSA-N 333.438 2.314 50 50 EEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 2675668 PESCFTNBKPKWAH-KEBDBYFISA-N 345.786 2.229 50 50 EEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 58984 VLCOBHOTUOZHOE-IREQLNLFSA-N 333.731 2.432 50 50 EEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1 35898219 WRWSKWAELGNZRB-CVEARBPZSA-N 335.436 2.493 50 50 EEGA C[C@@H]([C@@H](F)C(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F 1875278960 MFBRPVJSBDNJKI-GZMMTYOYSA-N 335.301 2.050 50 50 EEGA Cc1nn(C)c(NNC(=O)c2cccc(Br)c2)c1C#N 1875349609 DRIFCSWHWWWQLW-UHFFFAOYSA-N 334.177 2.120 50 50 EEGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(OC(F)(F)F)ccc21 169743824 NXJYBHYZMYXEJG-UHFFFAOYSA-N 345.082 2.003 50 50 EEGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2F)C2=C1CCCC2=O 109183 SAOQBPXSXRIVPD-MRXNPFEDSA-N 326.375 2.402 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2500935 TUHASRYPLIYHBE-OAHLLOKOSA-N 341.323 2.406 50 50 EEGA COc1cc(OC)cc(C(=O)N/N=C(/C)c2cc(O)ccc2O)c1 13321756 GZNWZUXOUCEYRU-ZDLGFXPLSA-N 330.340 2.269 50 50 EEGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 245226544 AZTKVTYXXONLGD-UONNRWIUSA-N 330.384 2.426 50 50 EEGA CC(=O)OC[C@@]12O[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2O 257355342 AHRUARRIPBIMIK-UATDFMGSSA-N 330.497 2.478 50 50 EEGA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)Br)n1 1875388780 PZFHOTNTLJIMAD-MNOVXSKESA-N 340.221 2.103 50 50 EEGA CN(C)/C=C(\C#N)S(=O)(=O)c1ncc(C(F)(F)F)cc1Cl 261494942 VXAFDFIDMIQQNJ-SOFGYWHQSA-N 339.726 2.454 50 50 EEGA O=C(CCn1cnc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 552631 QMUBHKHQLWBIGB-YBFXNURJSA-N 337.339 2.485 50 50 EEGA COc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1OC 438926 LQGYXTDFFQJOSC-VCHYOVAHSA-N 328.324 2.166 50 50 EEGA CCc1[nH]nc2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 18143957 WWLAEOVAMZWVOA-CYBMUJFWSA-N 326.356 2.207 50 50 EEGA COc1ccccc1O[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1 17072230 GDASRXAKEZMIJG-NSHDSACASA-N 347.346 2.455 50 50 EEGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)c1 263704 MSBZUUMKICOAPY-VCHYOVAHSA-N 340.339 2.451 50 50 EEGA O=C(CN1CCSCC1)N/N=C/c1ccc(Cl)c(Cl)c1 4990552 ULQPZADBKCULQD-LZYBPNLTSA-N 332.256 2.492 50 50 EEGA CO[C@H]1CCC12CC(C(=O)NCCSSCCC(=O)O)C2 1875388457 BVIPNLGGGXIPSX-CVZZAPKMSA-N 333.475 2.164 50 50 EEGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(F)c2)cc1 4335847 GDFGOEJAGMVDFY-SRZZPIQSSA-N 343.358 2.105 50 50 EEGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccc(O)cc1 91185 WXXXSSFKELFHAE-CQSZACIVSA-N 331.335 2.395 50 50 EEGA C[C@H](Oc1ccccc1F)C(=O)NNc1nc(-c2ccncc2)no1 728072728 YLEWSECFSJZNEA-JTQLQIEISA-N 343.318 2.181 50 50 EEGA O=C(N/N=C/c1c(F)cccc1Cl)C(=O)NC1CCCCC1 2024932 PMXBBMGWHVGWRR-GIJQJNRQSA-N 325.771 2.378 50 50 EEGA COc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC 59688 GZRYBHAEBCQSBQ-LICLKQGHSA-N 329.312 2.376 50 50 EEGA NCCSSCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21 103687738 COXJSXQCKNEICM-BTTYYORXSA-N 328.503 2.492 50 50 EEGA Cc1c(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cnn1C 374625 PRYOJMCOUFJWND-SRZZPIQSSA-N 346.390 2.095 50 50 EEGA O=C(CNC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 156810 LHFNPUGRSYOPLF-UHFFFAOYSA-N 330.296 2.427 50 50 EEGA in-vitro Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 6206324 MMEUJBJBFWSAAC-LICLKQGHSA-N 344.327 2.365 50 50 EEGA CNC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)o1 7059950 BTCFQGUWVRQAHZ-UHFFFAOYSA-N 339.804 2.251 50 50 EEGA C[C@H](Cl)C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1875369779 GZYJTSRRMLVAFX-WPRPVWTQSA-N 334.725 2.250 50 50 EEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1 100151785 HSEHICXCSDIJIS-BKQORJHRSA-N 328.416 2.336 50 50 EEGA COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cccs1 4990057 DWRPBMPYQZTCIZ-GLJSKRTFSA-N 343.408 2.036 50 50 EEGA CCO/C=C(\C#N)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 491052658 WBFIOTOEIMPOAI-IJUARFSTSA-N 349.431 2.288 50 50 EEGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1c(O)cc(C)oc1=O 5022769 LVMGKGGLFMBMBJ-FKWQJMJJSA-N 326.352 2.298 50 50 EEGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNc2cccc(C#N)n2)CC1=O 2325783545 GAQZGZFTENMNCP-DZGCQCFKSA-N 349.394 2.006 50 50 EEGA CCOC(=O)Cc1[nH]nc2c1[C@@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 614379 VPGVEESWVXKIEO-YGRLFVJLSA-N 328.372 2.041 50 50 EEGA C[C@H](OC[C@H]1CCCCO1)C(=O)N/N=c1/sc2ccccc2n1C 253417647 UGWUGJAUWDWJEY-AJEYVEAUSA-N 349.456 2.146 50 50 EEGA COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1OC 58951 WIDWKPLHGZUIGN-LICLKQGHSA-N 329.312 2.376 50 50 EEGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1 4283441 MLCQIXZKNMDRCS-SRZZPIQSSA-N 343.358 2.105 50 50 EEGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2F)C2=C1CCCC2=O 109181 SAOQBPXSXRIVPD-INIZCTEOSA-N 326.375 2.402 50 50 EEGA COC(=O)c1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)cc1 32603878 XJQCLSGNNFZFPB-JAIQZWGSSA-N 325.368 2.344 50 50 EEGA COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)c(OC)c1 435582 HZAUVOJHXABRSK-KEBDBYFISA-N 338.367 2.204 50 50 EEGA O=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O 35653398 KMSILUPPRJEKAF-GIJQJNRQSA-N 326.743 2.340 50 50 EEGA C[C@@H](OC[C@H]1CCCCO1)C(=O)N/N=c1/sc2ccccc2n1C 253417650 UGWUGJAUWDWJEY-FJUFPVMVSA-N 349.456 2.146 50 50 EEGA COc1cccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 35653637 RXTAKUMABSZWMT-LICLKQGHSA-N 329.312 2.133 50 50 EEGA C[C@H](Oc1ccccc1)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 17071802 DYRFLYWCMMVOPN-NSHDSACASA-N 344.327 2.215 50 50 EEGA CCOC(=O)c1ccc(NC(=O)CI)cc1 2519864 TZYCRJNOEXMIEG-UHFFFAOYSA-N 333.125 2.237 50 50 EEGA CC(=O)OC[C@@]12O[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]2O 216539761 AHRUARRIPBIMIK-XGJKELJWSA-N 330.497 2.478 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4231399 QNVSUHRAWNSNKD-YBFXNURJSA-N 344.802 2.495 50 50 EEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1OC 2566442 PVHFDKAEFBFECK-YBFXNURJSA-N 341.367 2.101 50 50 EEGA CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)c(O)c1 4518163 WZQLFFIDVAMNCV-YBFXNURJSA-N 341.415 2.214 50 50 EEGA CNC(=S)NNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3086220 GENWHYMDCUWSCD-UHFFFAOYSA-N 326.731 2.489 50 50 EEGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 20784929 JCGNALNBTYYEBX-GYKGCMEESA-N 341.323 2.275 50 50 EEGA O=C(Nc1cccc2ccccc12)c1ccc(Cl)c(B(O)O)c1 169744640 HARUKOMGQZHXNX-UHFFFAOYSA-N 325.560 2.425 50 50 EEGA N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCC=C12 19758417 OFZHUKWHABAHGS-VBKZILBWSA-N 341.374 2.387 50 50 EEGA COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1O 1002319 OTEANSJLVYBOAH-ZICWZVMQSA-N 339.351 2.190 50 50 EEGA Cn1ncc(Br)c1C(=O)N/N=C/c1cccc(F)c1 1002046 FIBHFUIXZIVOPH-GIDUJCDVSA-N 325.141 2.086 50 50 EEGA CC(C)(C)[Si](C)(C)O[C@@]1(CN[C@H]2CCCNC2=O)CCOC1 1775999624 RHGWSKOOYMMIMZ-XJKSGUPXSA-N 328.529 2.036 50 50 EEGA O=C(CCl)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 1875377227 AXPICLDVBPNMKJ-UHFFFAOYSA-N 332.787 2.070 50 50 EEGA O=C(N/N=C/c1ccncc1)C(=O)Nc1cc(Cl)ccc1Cl 2379916 DFTQBZPCZVGHST-QGMBQPNBSA-N 337.166 2.477 50 50 EEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 2491175 XGHDRNYHMLHKQS-HNNXBMFYSA-N 341.323 2.406 50 50 EEGA COc1ccc(/C=N/NC(=O)CCc2ccc(O)c(O)c2)cc1OC 6398496 JLHBUOUUIUGCHK-YBFXNURJSA-N 344.367 2.198 50 50 EEGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@@H]2C1 16037551 LPYIGKHKQBNYRP-IAGOWNOFSA-N 333.395 2.413 50 50 EEGA CCc1n[nH]c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 18143044 WTYKZVZCMOKBKZ-CQSZACIVSA-N 326.356 2.207 50 50 EEGA CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 1420897 AZXBKNGEIZGIDU-GIPWTMENSA-N 349.390 2.268 50 50 EEGA CCc1cccc(CC)c1NC(=O)c1ccc(B(O)O)c(Cl)c1 169744352 PQOUZWHPXQWFSE-UHFFFAOYSA-N 331.608 2.397 50 50 EEGA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(B(O)O)c1 169744628 DKDVIPQPHACDGG-UHFFFAOYSA-N 343.497 2.291 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 373090 IXECRYIURURBIM-CABCVRRESA-N 330.384 2.238 50 50 EEGA CC1(O)CCN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)CC1 1294853478 ZCJRZDYFQBWKEO-CZUORRHYSA-N 338.245 2.465 50 50 EEGA Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2cccc(O)c2)n1 439975 VOMACMBBPGPIKB-UDPFGDFPSA-N 330.413 2.430 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1OC 4330824 NQKVVXWYUPHJGZ-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2O)cc1 2553755 BOZMYUMTKBGOTJ-YBFXNURJSA-N 341.367 2.052 50 50 EEGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(O)cc(O)c32)c1 407999 ZHNBHUIOOBULMN-MRXNPFEDSA-N 340.335 2.333 50 50 EEGA COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OC 55667 PHPIPSHBRQVUEI-VCHYOVAHSA-N 330.388 2.127 50 50 EEGA CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccccc1O 436268 RTUJSXJKRWEYNI-YBFXNURJSA-N 342.351 2.098 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@H]2C1 1053276 XYNNGJLEXFDINF-IRXDYDNUSA-N 333.370 2.181 50 50 EEGA O=C(c1cccc(B(O)O)c1)N(Cc1ccccc1)Cc1ccccc1 195990598 XWMLAINNRCKKDD-UHFFFAOYSA-N 345.207 2.209 50 50 EEGA COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccoc2C)cc1 5034983 HUORSXYNKATYKM-UDWIEESQSA-N 343.383 2.409 50 50 EEGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccnc1 1427046 OOXCTABVWHEXNI-HNNXBMFYSA-N 330.347 2.152 50 50 EEGA O=C1c2ccccc2S(=O)(=O)N1C[C@@H](Cl)[C@H](Cl)CCl 4105430 RPRFLYGBNUEZJE-RKDXNWHRSA-N 342.631 2.285 50 50 EEGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C1/C(=O)Nc2ccccc21 100608856 LBZNDVWHNXTRQW-UHFFFAOYSA-N 345.362 2.471 50 50 EEGA Cc1ccccc1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 62471 KHQQWYFMIYBSPD-CAOOACKPSA-N 327.296 2.396 50 50 EEGA Cc1ccn2c(C(=O)N/N=C\c3ccc4c(c3)OCO4)c(C)nc2c1 31862358 GNMIDVDCWVJHHY-OCKHKDLRSA-N 336.351 2.444 50 50 EEGA Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc(C#N)n1C 177968720 VYKFVZHEBRNZCD-DHZAETIMSA-N 338.411 2.186 50 50 EEGA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(B(O)O)c1 169744040 FSXAZUJSZGTKAG-UHFFFAOYSA-N 345.635 2.461 50 50 EEGA COc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 299544 GCLQCKLSIRPVBC-UHFFFAOYSA-N 348.786 2.118 50 50 EEGA Cc1nc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)cc2[nH]1 64008 XSNKNCXYESTNFL-CAOOACKPSA-N 339.311 2.249 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(OC)c1 2387526 ZOPCZDWSCIXMAV-XDHOZWIPSA-N 341.367 2.183 50 50 EEGA COC(=O)[C@H](Br)CCC[C@@H](Br)C(=O)OC 1565827 AWWJYEJSCIDADZ-RNFRBKRXSA-N 346.015 2.030 50 50 EEGA CC(=O)NC1(NC(C)=O)[C@@H](Br)[C@H]2C[C@H]1[C@@H](C)C2(C)C 100983060 PZUFEEFEZRVVMO-IGCXTIMSSA-N 331.254 2.030 50 50 EEGA O=C(CCl)Nc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 169324353 JWMFLBAPPIWNGG-UHFFFAOYSA-N 349.799 2.425 50 50 EEGA O=C(COc1ccc(Br)cc1)N/N=C/c1cccnc1 5006806 YKVDVHANVYVFCX-RQZCQDPDSA-N 334.173 2.373 50 50 EEGA CC(C)CNC(=S)NNC(=O)CSCc1cccc(F)c1 2856793 YZFZQXFLEVBFPD-UHFFFAOYSA-N 329.466 2.210 50 50 EEGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 291125 RJTYBUMCAIWVAI-WAKXPGHKSA-N 325.368 2.043 50 50 EEGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccccc1C)C(=O)N2C 5730653 UEUJVFDDBFYCPT-UZYVYHOESA-N 337.379 2.179 50 50 EEGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 4282180 CWUFSSHRGJPLOG-GIJQJNRQSA-N 347.758 2.143 50 50 EEGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4209533 HLBYMRHAFQAIKU-KEBDBYFISA-N 345.786 2.229 50 50 EEGA N#CC(=CNc1ccccc1I)C(N)=S 2049321073 BOPWGOTWLNPYKT-UHFFFAOYSA-N 329.166 2.397 50 50 EEGA Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 372258 ZJGOVZOFXIJEKX-OAHLLOKOSA-N 326.400 2.488 50 50 EEGA Cc1cccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 271210 ANKGNSWFNMYWNA-CAOOACKPSA-N 327.296 2.396 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1 4230062 BNSYFRUKLFLUAP-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccc(O)cc1 5834748 JLWDZRODPZPZPG-UHFFFAOYSA-N 326.268 2.036 50 50 EEGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 18143614 VQEDFYBLQJNFSJ-CQSZACIVSA-N 326.356 2.295 50 50 EEGA biogenic,in-vitro COc1cc(/C=N/NC(N)=O)ccc1OC(=O)/C=C/c1ccccc1 2521128 DRXAGXLJMPQNRR-NTPQCHGPSA-N 339.351 2.316 50 50 EEGA Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC(c3cccs3)=NO2)cc1 5751807 RCOJKSRFEDTLBR-ZDUSSCGKSA-N 344.396 2.402 50 50 EEGA Cc1nc(C(=O)NNc2c(C#N)c(C)nn2C)c(-c2ccccc2)o1 1875349806 NKHAWUXKYLEZTH-UHFFFAOYSA-N 336.355 2.321 50 50 EEGA O=C(CCl)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 1333218636 LMCJZXGARLDNGZ-UHFFFAOYSA-N 338.770 2.291 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 2387524 SMJDLRNOWKPZPL-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA CN1C(=O)C[C@@H](P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O 67865 BHSXVPZFIWAEKX-QGZVFWFLSA-N 342.335 2.241 50 50 EEGA CN(C)c1cccc(C(=O)N/N=C/c2ccc([S@@](C)=O)cc2)c1 1875262972 CKINEGPDWWFYHG-FUAYJARZSA-N 329.425 2.254 50 50 EEGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 2544060 ZJRMTFWOIXEYBS-KEBDBYFISA-N 345.786 2.229 50 50 EEGA COc1ccc(CC(=O)NNC(=O)c2cccc(Cl)c2)cc1OC 436077 QFXRKWBKODWJSV-UHFFFAOYSA-N 348.786 2.361 50 50 EEGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(F)c2)cc1 609536 IXSQWPKTWCCFEX-UHFFFAOYSA-N 345.330 2.469 50 50 EEGA O[C@]1(c2ccccc2)[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@](O)([C@H]24)[C@@H]5Br 239402947 RIHUMCWCXXFECL-PSGIXHIXSA-N 333.225 2.140 50 50 EEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(F)cc1 4210168 JNFLJQPCLLBUBR-AWQFTUOYSA-N 333.750 2.359 50 50 EEGA Cc1nnsc1C(=O)N/N=C/c1ccccc1Br 5792617 KUVCNCAQVJVLLF-AWNIVKPZSA-N 325.191 2.373 50 50 EEGA CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1O 135122 NXDSDFCIDRSHMV-AEUYPJEVSA-N 342.351 2.081 50 50 EEGA COc1cc(/C=N/NC(=O)c2cccs2)c([N+](=O)[O-])cc1OC 432645 GCPYSCIPCOOBFT-OVCLIPMQSA-N 335.341 2.437 50 50 EEGA Cc1nn(C)c(NNC(=O)C(C)(C)COCc2ccccc2)c1C#N 1875345736 HORQWOUXBJVNAP-UHFFFAOYSA-N 341.415 2.286 50 50 EEGA Cc1cc(Br)c(OCc2cccc(F)c2)c(B(O)O)c1 169877195 NOUJKVHYFUPYNQ-UHFFFAOYSA-N 338.969 2.155 50 50 EEGA in-vitro O=C(Nc1ccc(Cl)cc1Cl)c1cc(F)cc(B(O)O)c1 169744039 YJCIUQRPKFYLLM-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA COc1cccc(/C=N/NC(=O)N/N=C/c2cccc(OC)c2)c1 437215 YHNYTQRIPAKVJC-GDAWTGGTSA-N 326.356 2.371 50 50 EEGA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(F)c(B(O)O)c1 169744132 GVJNJMDGDJTHOF-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA Cc1cc2c(c(=O)o1)[C@@H](c1coc3ccccc3c1=O)C(C#N)=C(N)O2 4990395 ZATKNACZJNQRRW-OAHLLOKOSA-N 348.314 2.273 50 50 EEGA CN(Cc1cccnc1)C(=O)[C@H](NC(=O)CCl)c1ccccc1 1875384202 MAISQUQEOFJTBT-MRXNPFEDSA-N 331.803 2.136 50 50 EEGA CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 377628 XFINPFRHZCOACG-IBGZPJMESA-N 335.363 2.022 50 50 EEGA COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)C(O)=NC(C)=C1C#N 4653821 ZKORDLVSEVLFPA-CQSZACIVSA-N 339.273 2.494 50 50 EEGA CCCCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 5308221 SGRVSXHWILOLAL-ATVHPVEESA-N 334.376 2.072 50 50 EEGA CC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 610552 BQNZUBKHETTWFM-UHFFFAOYSA-N 340.383 2.422 50 50 EEGA COc1ccc(NC(=S)NNC(=O)c2ccoc2C)cc1OC 8682683 XERPTSKCMYOKHU-UHFFFAOYSA-N 335.385 2.237 50 50 EEGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 4756219 NWWAJDMVOTZHAC-SNVBAGLBSA-N 329.316 2.427 50 50 EEGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1O 4360256 ZRMYNSXJFCXOLA-YBFXNURJSA-N 341.367 2.188 50 50 EEGA O=C(NNc1ncccc1Cl)c1cn(-c2ccc(F)cc2)nn1 114887418 JTMQJEHWLFMERA-UHFFFAOYSA-N 332.726 2.212 50 50 EEGA O=C(Nc1cc(Cl)ccc1Cl)c1cccc(B(O)O)c1F 169744652 OIMSJFOWHKOESC-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 5686981 YCDPCQPZNQFRBT-VCHYOVAHSA-N 338.323 2.220 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239222106 UJLRESGGFWSNPI-YHUYYLMFSA-N 342.395 2.094 50 50 EEGA CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)NC2CCCCC2)cc1 2865054 KTLXUYVQAYMCKY-UHFFFAOYSA-N 345.443 2.194 50 50 EEGA CCc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2)cs1 6489860 KCTMYOFFMUACOO-UHFFFAOYSA-N 333.438 2.260 50 50 EEGA CCOC(=O)/C(C#N)=C/c1cccc(B2OC(C)(C)C(C)(C)O2)c1 169974955 XFTJDBANLNTIFV-GXDHUFHOSA-N 327.189 2.456 50 50 EEGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OC 196589 JWZCSXZDWNXHFR-AWEZNQCLSA-N 340.335 2.184 50 50 EEGA O=C(NN=C1CCCC1)c1cccc(C(=O)NN=C2CCCC2)n1 16309636 ZBFGTRUIUCABAT-UHFFFAOYSA-N 327.388 2.401 50 50 EEGA CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 136228918 MMHFIMVWQGGKJL-CAOSSQGBSA-N 344.411 2.318 50 50 EEGA Cc1nn(C)c(NNC(=O)[C@H](C)CCOc2ccccc2)c1C#N 1875344555 IFZHOGBAQXFGQY-GFCCVEGCSA-N 327.388 2.149 50 50 EEGA O=C(N/N=C/c1ccco1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 9008079 ZEHBLWFLOVFOMY-CXUHLZMHSA-N 325.284 2.342 50 50 EEGA COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC 50294 IBXVTWGJXYTFQY-LICLKQGHSA-N 329.312 2.376 50 50 EEGA Cn1ccc2ccnc(C(=O)NCCSSCCC(=O)O)c21 1875388560 GTADZPHPDWCDLL-UHFFFAOYSA-N 339.442 2.159 50 50 EEGA CC(C)(C)c1ccc(C(=O)NCC(=O)NCCCSC#N)cc1 408516032 FDSMIPWZMMTSLF-UHFFFAOYSA-N 333.457 2.434 50 50 EEGA CC(C)(C)n1nccc1C(=O)NCCSSCCC(=O)O 1875388738 ONRYAUWHOKTJFM-UHFFFAOYSA-N 331.463 2.224 50 50 EEGA COc1ccc(Cl)cc1C(=O)NNC(=S)NC1CCCC1 13497317 UAWRGPGOHZFABY-UHFFFAOYSA-N 327.837 2.400 50 50 EEGA CC1(O)CCN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)CC1 1294853476 ZCJRZDYFQBWKEO-BBRMVZONSA-N 338.245 2.465 50 50 EEGA COc1ccccc1NC(=O)NC1CCN(C(=O)[C@@H](C)Cl)CC1 1875364863 WNXJBBYIQDTNHE-LLVKDONJSA-N 339.823 2.435 50 50 EEGA OB(O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1 169877150 HKBRUUCYKMOURT-UHFFFAOYSA-N 341.397 2.361 50 50 EEGA in-vitro C[C@@H]1CN(C(=O)[C@@H](F)Cl)CCN1C(=O)Cc1cccc(Cl)c1 2325898067 RDQIOTUGFLCZSI-QMTHXVAHSA-N 347.217 2.476 50 50 EEGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(C)cc1)C(F)(F)F 2769397 DNNJZPZUNRYWFG-CABZTGNLSA-N 339.697 2.007 50 50 EEGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1CCCC2=O 4184291 FPQIRLAHUWZINC-MRXNPFEDSA-N 326.375 2.402 50 50 EEGA COc1ccc(C(=O)NNC(=O)Nc2cc(C)ccc2OC)cc1 2166307 PVFRPAIWQYYSKH-UHFFFAOYSA-N 329.356 2.479 50 50 EEGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 182575 DYLNOQXURIDCMZ-OAHLLOKOSA-N 331.331 2.452 50 50 EEGA COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1O 1002317 OTEANSJLVYBOAH-DQAKUKQTSA-N 339.351 2.190 50 50 EEGA CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N/NC(N)=O)c1ccccc1 100733908 LADWTIJLOFDNED-QOBDKFOYSA-N 335.367 2.098 50 50 EEGA COc1cc(OC)c(OC)cc1/C=N\NC(=O)Cc1cccs1 17201314 LFEJYMDHLCILKN-YVLHZVERSA-N 334.397 2.467 50 50 EEGA CC(C)(C)[Si](OC[C@](C)(N)CO)(c1ccccc1)c1ccccc1 196060032 HROKRCQNLXKXHS-HXUWFJFHSA-N 343.543 2.273 50 50 EEGA COc1ccc2c(c1)/C(=N/NC(=O)[C@]1(C)CC1(Cl)Cl)C(=O)N2 17071494 ZEIPLKQFTSROPA-ZDUSSCGKSA-N 342.182 2.052 50 50 EEGA CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNC(=O)CCl 1875369823 KRHQBPMIVTYCKE-LBPRGKRZSA-N 326.771 2.376 50 50 EEGA Cc1cnn(CCC(=O)NNC(=S)Nc2cccc(Cl)c2)c1 8672583 ONWHTXNSBCDJQY-UHFFFAOYSA-N 337.836 2.253 50 50 EEGA COc1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1OC 1429067 GWZGPMMXFBYGHT-VCHYOVAHSA-N 330.340 2.182 50 50 EEGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1 4303193 VTASQJDCIRDSTJ-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA O=C(N/N=C/c1ccc(I)o1)c1cccnc1 276404 RJYWEQPYGYLXMR-VGOFMYFVSA-N 341.108 2.043 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C 4295996 USQCFEYNFKPMDL-XDHOZWIPSA-N 325.368 2.483 50 50 EEGA COC(=O)c1ccc(Br)c(NNC(=O)CC2CC2)c1 293893971 DWBXJKALLRKYHK-UHFFFAOYSA-N 327.178 2.479 50 50 EEGA O=C(NNC(=S)NCc1ccco1)c1ccc(-n2cccc2)cc1 2852530 HGHZQCMGJLWLDB-UHFFFAOYSA-N 340.408 2.379 50 50 EEGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1Cl 2571806 NPKWBDCBUIHNHU-VCHYOVAHSA-N 331.759 2.437 50 50 EEGA C=CCn1c(SCC(=O)NN)nnc1[C@H](C)Nc1ccc(C)cc1 34925124 YCFRCZKJZMWJHU-LBPRGKRZSA-N 346.460 2.028 50 50 EEGA CC(C)c1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)cs1 373633 AKFKKGXWZMLHJB-LLVKDONJSA-N 327.475 2.159 50 50 EEGA C[C@H]1COc2ccc(C(=O)NNc3nc(-c4ccncc4)no3)cc21 1875253404 ZMTKIBBEWZGOQD-JTQLQIEISA-N 337.339 2.384 50 50 EEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2C1 4123658 XYNNGJLEXFDINF-SJORKVTESA-N 333.370 2.181 50 50 EEGA CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(Br)c(C)c1 120718843 DULPSMSTNAHAKY-LLVKDONJSA-N 343.225 2.038 50 50 EEGA C[C@@H](Cl)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1875369776 GZYJTSRRMLVAFX-PSASIEDQSA-N 334.725 2.250 50 50 EEGA COc1ccccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 186496 ITKNKPGGWPILNY-RQZCQDPDSA-N 330.413 2.344 50 50 EEGA O=C(CCC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1 2970834 WZMQYKIUGBOABR-UHFFFAOYSA-N 326.356 2.258 50 50 EEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1c(Cl)cccc1Cl 100151710 GVDIXRLFARVMNE-AYNSVGMASA-N 341.198 2.346 50 50 EEGA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C(=O)OC2=O 101019468 UVGRMXNEAUJLND-UHFFFAOYSA-N 342.263 2.166 50 50 EEGA Cc1nnsc1C(=O)NN=Cc1cc(Br)ccc1O 252679825 RRYHYBRJBYHZIG-UHFFFAOYSA-N 341.190 2.079 50 50 EEGA COc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 286333 FSMZWYDUWDXJAP-LICLKQGHSA-N 329.312 2.133 50 50 EEGA Cc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1O 299673 JMIBSASLSICSOK-UHFFFAOYSA-N 334.759 2.194 50 50 EEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 4950447 GJYQXVPAEAKNOS-RITNMEHMSA-N 325.324 2.444 50 50 EEGA C[C@H](Cl)C(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 1875379974 BEVXLJRIWKJKOZ-DTWKUNHWSA-N 327.793 2.325 50 50 EEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(O)cc(O)c1 125276 LLNPTOLFQWPSFA-FRKPEAEDSA-N 335.703 2.423 50 50 EEGA Cc1cc(C=NNC(=O)CC#N)c(C)n1-c1ccc([N+](=O)[O-])cc1 244763966 OYRXFUPSXOAKQA-UHFFFAOYSA-N 325.328 2.366 50 50 EEGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1 2391498 PTVCKBYDECGKNB-YBFXNURJSA-N 327.340 2.307 50 50 EEGA CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5795339 MHWBMNWQHCWCBD-ZETCQYMHSA-N 336.244 2.276 50 50 EEGA C[C@H]([C@H](F)C(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F 1875278961 MFBRPVJSBDNJKI-KCJUWKMLSA-N 335.301 2.050 50 50 EEGA CNC(=S)NNC(=O)C/C=N/OCc1ccc(Cl)cc1Cl 5209252 DRAGVSONRIRYST-FZSIALSZSA-N 349.243 2.011 50 50 EEGA Cc1cc2c(c(=O)o1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 36203 WOGDDRTXCMEMRD-CYBMUJFWSA-N 325.280 2.075 50 50 EEGA biogenic CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 18143616 VQEDFYBLQJNFSJ-AWEZNQCLSA-N 326.356 2.295 50 50 EEGA biogenic,in-vitro COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1 5541511 ORYUGGIVFVKTLE-RQZCQDPDSA-N 330.413 2.344 50 50 EEGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 121890 XXVWPZZGYGFZBA-LLVKDONJSA-N 334.372 2.461 50 50 EEGA CO[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C 257356181 GOEBWBYNAAWZLU-XVIXHAIJSA-N 348.512 2.261 50 50 EEGA COc1ccc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)c(OC)c1 355840 DESUMKIBQAPBDV-CAOOACKPSA-N 336.779 2.163 50 50 EEGA CCOC(=O)Cc1[nH]nc2c1[C@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 614380 VPGVEESWVXKIEO-IINYFYTJSA-N 328.372 2.041 50 50 EEGA CCC(=O)N=c1ccn(-c2nc3ccccc3nc2C(=C=N)C#N)cc1 334157875 UFPJRBIMNNPUMK-UHFFFAOYSA-N 342.362 2.413 50 50 EEGA COc1ccc(NC(=O)C(=O)NN=C(C)c2ccc(F)cc2)cc1 245240662 RGBVBWMBLOKZQK-UHFFFAOYSA-N 329.331 2.313 50 50 EEGA C/C(=N\NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(F)cc1 195824 WWYHSIBIDJFCIM-RGVLZGJSSA-N 326.335 2.034 50 50 EEGA O=C1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@@H]1Br 1386553 JORNURPRWBYZSD-CRCLSJGQSA-N 328.109 2.428 50 50 EEGA O=S1(=O)[C@H]2CC[C@@H](Br)[C@H](Br)[C@H]1CC2 104282368 RFFHTJJMSBLMPU-OSMVPFSASA-N 332.057 2.253 50 50 EEGA O=C(CN1CCCCC1)N/N=C/c1ccc(OC2CSC2)cc1 63911 UNUQTRVCCZUJLH-VCHYOVAHSA-N 333.457 2.117 50 50 EEGA O=C(C[C@H]1CNCCO1)NN(Cc1ccccc1)c1ccccc1 170677309 NNOPXARLJPZPRT-SFHVURJKSA-N 325.412 2.103 50 50 EEGA O=C(Cn1nnc2ccccc21)N/N=C/c1c(F)cccc1Cl 381551 IWOSIRNGRZJSQZ-QGMBQPNBSA-N 331.738 2.374 50 50 EEGA COc1cccc(/C=N\NC(=O)c2c(C)nc3sccn23)c1O 16667834 SIEIJOXNEKXGJR-PXNMLYILSA-N 330.369 2.182 50 50 EEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2566449 LVGZGZNCBUAFAY-VXLYETTFSA-N 339.351 2.067 50 50 EEGA CCO/C=C(\C#N)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 491108401 XRNSBTVLSZZLPB-SDNWHVSQSA-N 349.431 2.290 50 50 EEGA CCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 291109 PYMZMXBJODYBHS-WAKXPGHKSA-N 326.352 2.375 50 50 EEGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1O 4365874 YQXQFBPQZUDBCF-JDAJCMJVSA-N 329.312 2.218 50 50 EEGA Cc1ccc(NC(=S)NNC(=O)c2c(Cl)c(C)nn2C)cc1 8685014 TZTXGYKHZAKELD-UHFFFAOYSA-N 337.836 2.322 50 50 EEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cccc(Cl)c1Cl 102298655 HXVGZGSNSLWMRE-GBYSLYJZSA-N 341.198 2.346 50 50 EEGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1OC 18148498 MSJQCDYUXBSSFG-VCHYOVAHSA-N 328.372 2.070 50 50 EEGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cccnc2)c1 55695 JEBROGZACJAXOC-UHFFFAOYSA-N 327.384 2.353 50 50 EEGA C=C(C)CNC(=S)NNC(=O)c1ccc(Br)cc1 8829874 UTAIESAZMQONLK-UHFFFAOYSA-N 328.235 2.134 50 50 EEGA Cc1cc(C(=O)OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)on1 229763128 RKRFKCCOVZBNII-IHQQWCSBSA-N 333.388 2.458 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1OC 267693 LUWLOSVILNSJSN-MRXNPFEDSA-N 344.367 2.349 50 50 EEGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1 1261357 LPYIGKHKQBNYRP-DLBZAZTESA-N 333.395 2.413 50 50 EEGA aggregator C=CCN1C(=O)CS/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1 6072835 NCHFFRCWZFBQAO-FYWRMAATSA-N 334.422 2.223 50 50 EEGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 100033727 VNIWOUKELAAKIV-UHFFFAOYSA-N 347.243 2.168 50 50 EEGA CC(=O)O[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238373 MALAWQUOUSCHNB-YTLHQDLWSA-N 325.636 2.381 50 50 EEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 284815 PANUOKCCKZTFTP-HNNXBMFYSA-N 330.340 2.046 50 50 EEGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 371141 KEYLMFZXXVEDFG-ZGXHQARYSA-N 338.323 2.384 50 50 EEGA CSc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1 4156850 WIBWFQUYFBDBHC-XYOKQWHBSA-N 325.397 2.115 50 50 EEGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNc2cccc(C#N)n2)CC1=O 2325783547 GAQZGZFTENMNCP-UKRRQHHQSA-N 349.394 2.006 50 50 EEGA C[C@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1Br 2311930 BSCJTUQIAQJPDB-FJJYHAOUSA-N 337.217 2.111 50 50 EEGA O=C(N/N=C\c1ccc(F)cc1)[C@H](c1ccccc1)N1CCOCC1 32609483 UTORJRLFJGUAGX-SBGXLDQMSA-N 341.386 2.349 50 50 EEGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 4283245 JSOXORUSKYBDAE-CIAFOILYSA-N 339.395 2.274 50 50 EEGA CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 100249547 VZVUHPNLAVYENU-MRXNPFEDSA-N 338.363 2.474 50 50 EEGA biogenic,in-vitro C/C(=N\NC(=O)[C@H](C)Oc1ccc2c(c1)OCO2)c1ccncc1 13331856 VVDZJFHQFWZEJY-MKFNJMOCSA-N 327.340 2.118 50 50 EEGA COc1nccnc1NNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 132117910 FXYIUAKTPFOKGU-UHFFFAOYSA-N 346.346 2.454 50 50 EEGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\CCOc2ccccc21 1021621 OSSGVYKDIVYKMR-OBGWFSINSA-N 341.323 2.277 50 50 EEGA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(B(O)O)c(Cl)c1 169744545 QLTWFLCKNIMKKT-UHFFFAOYSA-N 343.497 2.291 50 50 EEGA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(B(O)O)c(Cl)c1 169744276 PAYZLWMEVWUCGM-UHFFFAOYSA-N 345.635 2.461 50 50 EEGA Cc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(C)o2)o1 2902107 HTUUCQASRGJDPE-XOBNHNQQSA-N 344.371 2.260 50 50 EEGA O=C(N/N=C\c1ccc2c(c1)OCO2)c1cncc(Br)c1 32666341 AKECINLGBITRFT-ZWSORDCHSA-N 348.156 2.337 50 50 EEGA O=C(CCl)NCCc1noc(COc2ccc(Cl)cc2)n1 1875384216 MGWUMLQIKDGMKK-UHFFFAOYSA-N 330.171 2.200 50 50 EEGA C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 450742 ZJJNLYJDTDDBFZ-MMVIWPHWSA-N 341.411 2.153 50 50 EEGA O=C(NNC(=O)c1cccnc1)Nc1ccc(Br)cc1 5060600 ANOCRSWMYIQKPW-UHFFFAOYSA-N 335.161 2.311 50 50 EEGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1 4372684 BDPSTLLBQTWDHP-MUOOZZNISA-N 329.312 2.218 50 50 EEGA COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C)cc1 444961 PJFFOKYYMFXHJL-UHFFFAOYSA-N 328.368 2.152 50 50 EEGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 4391048 IRIXRVUJOJCFFU-ZBFHGGJFSA-N 349.419 2.020 50 50 EEGA COc1cc(OC)cc([C@H](NC(=O)[C@@H](C)Cl)c2nccn2C)c1 1875364146 FQUVVVRHTMIVSH-YGRLFVJLSA-N 337.807 2.270 50 50 EEGA O=C(C[C@@H]1CNCCO1)NN(Cc1ccccc1)c1ccccc1 170677304 NNOPXARLJPZPRT-GOSISDBHSA-N 325.412 2.103 50 50 EEGA O=C(NNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2900100 GHVBBSMZTQFSPP-UHFFFAOYSA-N 330.212 2.457 50 50 EEGA Cc1ccccc1NC(=S)NNC(=O)c1ccc2c(c1)OCO2 2771925 WFZIOQLHFKINOG-UHFFFAOYSA-N 329.381 2.355 50 50 EEGA CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5795335 MHWBMNWQHCWCBD-SSDOTTSWSA-N 336.244 2.276 50 50 EEGA CC(=O)NC1(NC(C)=O)[C@H]2C[C@H]([C@H]1Br)C(C)(C)[C@@H]2C 254620349 PZUFEEFEZRVVMO-UYZPKGHCSA-N 331.254 2.030 50 50 EEGA CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(Br)cc1 2898020 KCEKHRFTPRTHOT-RQZCQDPDSA-N 340.221 2.062 50 50 EEGA Cc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)s1 20026605 SWANVEDSTWQXCM-ZBFHGGJFSA-N 335.436 2.412 50 50 EEGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 3071755 KPGNBWLRISIHDY-CXUHLZMHSA-N 344.283 2.032 50 50 EEGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1Cl 377717 GQOPJONGLSGGOS-ZDUSSCGKSA-N 330.727 2.004 50 50 EEGA COc1cccc([C@H]2C(C#N)=C(N)Oc3nc(SC)nc(N)c32)c1 1430800 MHSKDMUBTUZQAR-NSHDSACASA-N 341.396 2.007 50 50 EEGA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1 20198830 IWKQTZAPDUXFKE-LLVKDONJSA-N 330.837 2.285 50 50 EEGA COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 15635887 JWQDSMLYOVWWCV-YVLHZVERSA-N 329.312 2.376 50 50 EEGA O=C(Nc1ccc(Cl)cc1Cl)c1cccc(B(O)O)c1F 169744687 GGUBDPKVAKOIQE-UHFFFAOYSA-N 327.935 2.065 50 50 EEGA