smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CBr)c1cc(Cl)c(Cl)c(OC(F)F)c1 263625429 ZWYZMYGZORRUPN-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2cc1O 2740752 CWCQMJNJIVDKKV-OEAKJJBVSA-N 340.382 4.463 50 50 EIGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1O 2885772 VBGIIAILSHRGPY-CNHKJKLMSA-N 343.597 4.116 50 50 EIGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(OC)c1O 4040036 PVDMSKVUICNMPI-KPKJPENVSA-N 338.388 4.083 50 50 EIGA CC(=O)[C@H](Br)[C@@H](Br)c1ccc(Cl)cc1 3048896 NNLXNPXDVHOGCR-UWVGGRQHSA-N 340.442 4.129 50 50 EIGA C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(Cl)cc1Cl 32511891 BXDUFOVLBLHOAX-PEWZYKRASA-N 325.239 4.270 50 50 EIGA O=C(N/N=C/c1ccccc1O)c1sc2ccccc2c1Cl 431865 XMFDHDJLNAOPFM-GIJQJNRQSA-N 330.796 4.024 50 50 EIGA Cc1cc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c2ccccc2n1 4843959 UPVXQEHUDGJGPQ-UHFFFAOYSA-N 333.435 4.085 50 50 EIGA Cc1c(F)c(Br)cc(Br)c1N=C=S 15443753 GJRSNXNDCVDDTP-UHFFFAOYSA-N 325.000 4.393 50 50 EIGA Cc1cc(C)c(C#N)c(SSc2nc(C)cc(C)c2C#N)n1 53993746 PZCULZZDTAMDLF-UHFFFAOYSA-N 326.450 4.253 50 50 EIGA C[C@H](Cl)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 74941421 QGOPOEHWHFZBQM-ZETCQYMHSA-N 345.649 4.138 50 50 EIGA O[Si]1(O)Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1 299804058 VRVIOLMGIPZEFL-UHFFFAOYSA-N 342.470 4.264 50 50 EIGA O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 39959700 NLXSBJGLYAHMCS-CYBMUJFWSA-N 339.247 4.318 50 50 EIGA N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@H]1c1ccccc1Cl 403744 HMGADZFFSFELRQ-OAHLLOKOSA-N 339.807 4.144 50 50 EIGA O=C(COc1ccc(Cl)cc1)OC(=O)Nc1ccccc1Cl 101019071 FLZAIJAOYFQJRI-UHFFFAOYSA-N 340.162 4.148 50 50 EIGA Cc1ccsc1[C@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 80898 XGSXYYSIJLTWRZ-AWEZNQCLSA-N 340.473 4.329 50 50 EIGA NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 2870925 OZCBXZHQJVDKKI-UHFFFAOYSA-N 339.398 4.172 50 50 EIGA Cc1cccc2c(C(=O)NN)cc(-c3ccc(C(C)(C)C)cc3)nc12 6318454 GJGVDJMCMIBCBJ-UHFFFAOYSA-N 333.435 4.111 50 50 EIGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cccc(Br)c1)C2 12384175 GGANCFYHQIQCSZ-UXYLTIGXSA-N 349.272 4.381 50 50 EIGA CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C/c3ccoc3)csc2C1 375122 JDNMABDXZUWXGO-PFHXIJNMSA-N 330.453 4.256 50 50 EIGA Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccccn1 16474467 BCHAQWDUTVHAKK-UNOMPAQXSA-N 343.386 4.252 50 50 EIGA Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1 4209819 IPSOIJOMWHUKEW-OEAKJJBVSA-N 345.446 4.475 50 50 EIGA N#CC(C#N)=C/C=c1\c2cccc3cccc(c32)n1Cc1ccccc1 685944435 LMVPCBSIEHQKAV-FYJGNVAPSA-N 333.394 4.316 50 50 EIGA C[C@@H]1C[C@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccccc3)nn12 1857800745 SEWJXPQYIBIJQI-MWLCHTKSSA-N 333.222 4.391 50 50 EIGA CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)cc1 253390381 IULPEZMDZCGUBE-HAHQTSCRSA-N 328.456 4.142 50 50 EIGA Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2C=O)c1 100007770 PQIAXRGPKDEYLW-UHFFFAOYSA-N 346.410 4.491 50 50 EIGA C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 222379158 RUERQEYRPQPNQF-CDHAZOANSA-N 348.837 4.180 50 50 EIGA C=CCc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1O 262877 CTTJKWFTGGLAET-HYARGMPZSA-N 330.387 4.038 50 50 EIGA C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1 4474958 XUYYGTIWLSKZCH-LKZQPVPRSA-N 344.414 4.126 50 50 EIGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 4751319 LWYDJIUIUMTTCU-SFHVURJKSA-N 334.350 4.140 50 50 EIGA CC[C@@H](Br)C(=O)N(Cc1ccccc1)c1ccccc1 38356397 DVAAHBQCAZCHOP-MRXNPFEDSA-N 332.241 4.393 50 50 EIGA CCCCCCCCCC[C@H](Br)[C@@H]1OC[C@H](CO)O1 101010618 OMWWOGKQMCCMAF-SOUVJXGZSA-N 337.298 4.015 50 50 EIGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)o3)nc2c1 4739828 PPACYQIHJQHDRN-KAMYIIQDSA-N 348.406 4.219 50 50 EIGA C/C(=N\NC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccnc1 5010263 XTRVUGRRBJHADL-UFWORHAWSA-N 342.613 4.196 50 50 EIGA CC(C)(C)c1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 30802408 MVSISYBEDRSVMF-MTJSOVHGSA-N 344.842 4.167 50 50 EIGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(-c2ccccc2)cc1 241643 PZEYJEMEKVAMAA-OAQYLSRUSA-N 340.382 4.277 50 50 EIGA CC(C)(C)C1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1 4372830 WJDPKOWCQLEQSU-UHFFFAOYSA-N 336.863 4.427 50 50 EIGA Cc1cc2nc(/C(C#N)=C/c3cc4ccccc4oc3=O)[nH]c2cc1C 4869961 PHTKTEXWDCJURC-MHWRWJLKSA-N 341.370 4.350 50 50 EIGA COC(=O)/C(C#N)=C\c1cccc(OCc2c(F)cccc2Cl)c1 7060625 PULIWCYADMHVHE-JYRVWZFOSA-N 345.757 4.138 50 50 EIGA N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccccc1O 74283 BBFFPNFXWIOMIE-NTCAYCPXSA-N 330.343 4.198 50 50 EIGA CCCCCCCC(=O)NNC(=O)/C=C/c1ccc(C(C)C)cc1 2753455 VTAMNAXGUMVWHN-NTCAYCPXSA-N 330.472 4.331 50 50 EIGA N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1 4984027 NMOHFZAGATWFCV-DTQAZKPQSA-N 347.443 4.197 50 50 EIGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 303303 SBOJCULGTAXEQG-UHFFFAOYSA-N 349.342 4.393 50 50 EIGA Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1cccc(C(F)(F)F)c1 12504983 XVDPUDQRMRIJHA-QPEQYQDCSA-N 334.297 4.105 50 50 EIGA [C-]#[N+][C@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 100192895 SHUAFBBGLMPJLI-HNNXBMFYSA-N 339.338 4.406 50 50 EIGA Fc1cc(Br)cc(CBr)c1Br 263623844 LEOQAXGHVJZIGR-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1sc1ccccc21 266482 AWUNGDZECIWCDF-INIZCTEOSA-N 334.400 4.128 50 50 EIGA COc1ccc(CC(=O)NN(c2ccccc2)c2ccccc2)cc1 101355 NKRRRTBTHCTUFH-UHFFFAOYSA-N 332.403 4.107 50 50 EIGA CCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 4997443 SBVDUGLWDWNCQF-NTCAYCPXSA-N 331.375 4.188 50 50 EIGA Cl[C@H](COC[C@@H](Cl)Oc1ccccc1)Oc1ccccc1 2160425 NJXDJZHKWIENTF-HOTGVXAUSA-N 327.207 4.291 50 50 EIGA N#CC(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 440558 TWESODLHBJQJOB-UHFFFAOYSA-N 344.124 4.048 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12OCC[C@H]2Br 169834331 XSGGDTGVUHXLFR-BZPMIXESSA-N 335.358 4.483 50 50 EIGA Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1cccc(Cl)c1Cl 12504676 HYPYAGVARWENJV-GHXNOFRVSA-N 335.190 4.393 50 50 EIGA O=C(Cl)c1cc(-c2cccnc2)nc2ccc(Br)cc12 6333740 ROYAXKWCDARXPF-UHFFFAOYSA-N 347.599 4.438 50 50 EIGA N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(Br)c1 15745795 CNQNPLGCAVLNLM-WQLSENKSSA-N 345.171 4.134 50 50 EIGA Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 255706 ACUSYWFGIUAPIN-UHFFFAOYSA-N 347.374 4.386 50 50 EIGA CCCCc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 3174689 FXLCFZGXAMCCQV-FGLICBMKSA-N 336.435 4.223 50 50 EIGA COc1cc(OC)c(OC)cc1/C=C(/C#N)c1ccc(Cl)cc1 12363010 SEYBTFHUMNOWOJ-ZSOIEALJSA-N 329.783 4.430 50 50 EIGA C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(Cl)cc1Cl 100404427 BXDUFOVLBLHOAX-GPEGOCOHSA-N 325.239 4.270 50 50 EIGA C[C@@H](CCl)OP(=O)(O[C@@H](C)CCl)O[C@@H](C)CCl 5735018 KVMPUXDNESXNOH-CIUDSAMLSA-N 327.572 4.026 50 50 EIGA biogenic COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc12 445360 FWQVROMIZAVEFT-DTQAZKPQSA-N 328.371 4.394 50 50 EIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/C=C/c1ccccc1 2521753 DWVHBDYXGWTFTL-JNJFRLMHSA-N 349.217 4.188 50 50 EIGA Cc1cc(C(=O)N/N=C/C2c3ccccc3-c3ccccc32)c(C)o1 5679449 WVKSYIFVQOCCFU-WSDLNYQXSA-N 330.387 4.425 50 50 EIGA CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 263639982 QZIVMVYESFZANC-NTEUORMPSA-N 346.308 4.237 50 50 EIGA O=C(N/N=C/C1=C(Cl)c2ccccc2CC1)Nc1ccccc1 43761456 ZRQNRQONUYDKHA-UDWIEESQSA-N 325.799 4.390 50 50 EIGA CCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)s1 373050 MPAWQPLVBYPWJL-DEDYPNTBSA-N 342.464 4.396 50 50 EIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCCCC1 510981 ARUZYQURNZXSDJ-PXLXIMEGSA-N 336.435 4.296 50 50 EIGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 12343245 PFGIQCPEJOSEQU-DEDYPNTBSA-N 339.395 4.046 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@H]1CNC[C@@H]1O[Si](C)(C)C(C)(C)C 169838475 KGWDAGKEVSFIBY-KBPBESRZSA-N 331.649 4.370 50 50 EIGA C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(C)cc1 5277248 NVDMVTZRVLZZEU-XQNSMLJCSA-N 331.419 4.101 50 50 EIGA CCOC(=O)/C(C#N)=C/c1sc2ccccc2c1Br 4542669 CQBJTKOXWYFQSW-VQHVLOKHSA-N 336.210 4.134 50 50 EIGA O=C(CBr)Nc1cc(Cl)ccc1Oc1ccccc1 2529502 YQQONNCHTDUHBM-UHFFFAOYSA-N 340.604 4.466 50 50 EIGA O=[N+]([O-])c1cc(C(F)(F)F)cc(Br)c1N=C=S 4242149 NHIODMNJPNMPAM-UHFFFAOYSA-N 327.081 4.110 50 50 EIGA Cc1ccc2cc(/C=N/NC(=O)C3CCCCC3)c(Cl)nc2c1 2521891 PJDDYGTUTNRORA-RGVLZGJSSA-N 329.831 4.227 50 50 EIGA Cc1ccc2nc(/C(C#N)=C/c3c[nH]nc3-c3ccc(F)cc3)[nH]c2c1 13132487 VKFNKSVMQQGUMN-NTEUORMPSA-N 343.365 4.465 50 50 EIGA CCCCCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 2779693 PLQZPOWTBVRCIY-CJLVFECKSA-N 339.439 4.195 50 50 EIGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc4ccccc4cc32)c1 4089799 XSCFZXIIVKWCMG-FQEVSTJZSA-N 328.371 4.067 50 50 EIGA O=C(O)c1c(F)cccc1SSc1cccc(F)c1C(=O)O 44069257 QEONSZINEMHFPH-UHFFFAOYSA-N 342.344 4.161 50 50 EIGA CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 6138595 PAYBIHXAGZQYSL-MRXNPFEDSA-N 332.856 4.378 50 50 EIGA O=C1C(Cl)=C(N[C@H](Cl)c2ccccc2)C(=O)c2ccccc21 100810104 IUSYVBOLSCZCGO-KRWDZBQOSA-N 332.186 4.043 50 50 EIGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F 13942843 PJJXBNYLXDNWFI-WQLSENKSSA-N 341.317 4.237 50 50 EIGA CCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1 102284797 PKBYFCNOGDDCTE-HMMYKYKNSA-N 334.460 4.382 50 50 EIGA CCCCCCCCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1 102310338 MSMGUVARVBKNEU-LTGZKZEYSA-N 331.460 4.258 50 50 EIGA N#C/C(=C\c1ccc(O)c(Br)c1)c1nc2ccccc2[nH]1 4977922 RCVSATQWHYPBQW-YRNVUSSQSA-N 340.180 4.095 50 50 EIGA C/C(=N\NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1 33097020 BNGQSZNVQIYEGK-RCCKNPSSSA-N 334.444 4.498 50 50 EIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1 407990 DHCXJWRKQFKRLD-HXUWFJFHSA-N 342.398 4.457 50 50 EIGA Fc1c(CBr)ccc(Br)c1Br 263624601 RWOMYFUAOGPFKX-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA COc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3ccccc3)nc2c1 4755681 KPGCVPXSXOCWKR-QINSGFPZSA-N 340.386 4.426 50 50 EIGA CCC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1 4402066 KREYDNIKTGTGFL-MNDPQUGUSA-N 345.240 4.383 50 50 EIGA C=CCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC 4759323 CSIXGILARFUQLF-LTGZKZEYSA-N 346.471 4.461 50 50 EIGA CSC1=C(C#N)[C@H](c2cccc(Oc3ccccc3)c2)CC(=O)N1 9089147 VHEZXHKCWAOEDL-INIZCTEOSA-N 336.416 4.181 50 50 EIGA N#Cc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 46431 DCYNAHJGJRQOBZ-KEBDBYFISA-N 339.807 4.190 50 50 EIGA Cc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)o1 280902 GFZJAZYMIBKCRC-VRMLFSPKSA-N 344.414 4.044 50 50 EIGA O=C(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 4241212 CBDHLEMYIQJYII-UHFFFAOYSA-N 334.984 4.226 50 50 EIGA C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@H]2CC[C@H]1C2 252452797 DRNISQFRIZSJKT-PHIHJFTKSA-N 348.874 4.344 50 50 EIGA Cc1ccc(CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1 74551 HEQXZLOWMXQJEZ-QGZVFWFLSA-N 334.444 4.267 50 50 EIGA N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)NCc1ccccc1 450689 KLTWXKFZSXTBRS-QGOAFFKASA-N 328.371 4.170 50 50 EIGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]23 230116541 WWXZTUHOBSOXQW-FXSNYSBCSA-N 329.352 4.101 50 50 EIGA C[C@H](Cl)C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 1875363675 RJVPYSBLONHOJG-UONOGXRCSA-N 344.842 4.086 50 50 EIGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 4751884 MBHRGPNWNBVCLY-GOSISDBHSA-N 334.350 4.140 50 50 EIGA C[C@H]1C[C@@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccccc3)nn12 1857800747 SEWJXPQYIBIJQI-ONGXEEELSA-N 333.222 4.391 50 50 EIGA CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2OC)o1 4541977 QYWNAVMRPCIOPQ-DHZHZOJOSA-N 331.755 4.079 50 50 EIGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccco1 181670 HGPPYUYJRLLLIH-PXLXIMEGSA-N 349.434 4.044 50 50 EIGA CSc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 251072 MMPFPLVLIPWAMZ-GIJQJNRQSA-N 339.247 4.479 50 50 EIGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)cc1Cl 326229 ONHNCIDWTBZGQH-UFFVCSGVSA-N 346.217 4.168 50 50 EIGA O=C(NNc1nc2ccccc2nc1Cl)Nc1ccc(Cl)cc1 1383095 XNQREAWWYYRZHS-UHFFFAOYSA-N 348.193 4.085 50 50 EIGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cccc(C)c1 4751303 NBJZBERBQXPYDA-IBGZPJMESA-N 348.402 4.140 50 50 EIGA COc1cccc(C(=O)Cl)c1OCc1ccc(F)cc1Cl 40451490 MPNLJLCLSBHOHB-UHFFFAOYSA-N 329.154 4.446 50 50 EIGA COc1ccc2c(c1)sc[n+]2Cc1ccc(CBr)cc1 5671035 JOCHKFUUBJVYSJ-UHFFFAOYSA-N 349.273 4.141 50 50 EIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1C1CCCCC1 2602631 UTMRMZKAQQUIPH-JXFKEZNVSA-N 348.446 4.308 50 50 EIGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 4751882 MBHRGPNWNBVCLY-SFHVURJKSA-N 334.350 4.140 50 50 EIGA CCOC(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2)cc1 5315584 GWWKUBBKFVUMNI-DEDYPNTBSA-N 346.814 4.389 50 50 EIGA O=C(N/N=C/c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 273700 WEKBVPSKRMHLLI-QGMBQPNBSA-N 327.598 4.411 50 50 EIGA CC1(C)CC(=NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC(C)(C)N1 23115120 JDAVCZRETPVNHV-UHFFFAOYSA-N 345.531 4.006 50 50 EIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1 79879 WUJXZJYOTMYIOZ-IBGZPJMESA-N 328.371 4.067 50 50 EIGA O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1C[C@@H]1c1ccccc1 5004981 USJAPFRTULEOHI-HVHIRKTFSA-N 333.218 4.247 50 50 EIGA COC(=O)c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 4810530 SRLKMTNDBGDYKD-MHWRWJLKSA-N 331.375 4.031 50 50 EIGA O=C(Cl)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 40457181 QIJBWABLTHWMFS-UHFFFAOYSA-N 325.751 4.052 50 50 EIGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 4372794 VAZHQKQDENCCQU-FYJGNVAPSA-N 344.842 4.212 50 50 EIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1C1CCCCC1 115263 UTMRMZKAQQUIPH-OXJNMPFZSA-N 348.446 4.308 50 50 EIGA CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C/c3ccoc3)csc2C1 375125 JDNMABDXZUWXGO-VDLQQMNMSA-N 330.453 4.256 50 50 EIGA COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1O 443423 GOJAUMCXELYPKY-LFIBNONCSA-N 344.370 4.100 50 50 EIGA Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)cc1 1401024 PTDLGMWJNZPMOD-LJQANCHMSA-N 330.387 4.310 50 50 EIGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(Br)cc1 431740 LJOZANQOUBSLBE-MDWFKHSNSA-N 343.224 4.268 50 50 EIGA CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccsc2)cc1 2758943 KQMFEUXQPPTSPN-WGQIQHNGSA-N 326.465 4.299 50 50 EIGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 54649 FBYFHNSFDOBQOA-FQEVSTJZSA-N 342.398 4.457 50 50 EIGA O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccccc1O 2835833 WIKYIGFJUVIPRW-OHDNXCHDSA-N 342.398 4.240 50 50 EIGA Cc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)s1 278859 YXDPOZKIQXDEJQ-CQSZACIVSA-N 340.473 4.329 50 50 EIGA O=C(Cl)c1ccc(OCc2ccc(Br)cc2)cc1 40451444 TWECFSGOTJYEKI-UHFFFAOYSA-N 325.589 4.407 50 50 EIGA N#C/C(=C/c1ccc(Br)cc1)c1ccc2c(c1)OCO2 16361823 YTRKDKRRQIHYGA-QPEQYQDCSA-N 328.165 4.242 50 50 EIGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C[C@@H]2CC[C@H]3CC[C@H]1[C@@H]32 101138903 WWXZTUHOBSOXQW-IXDLUCPKSA-N 329.352 4.101 50 50 EIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccs1 43255 BWUDWSULOHFXOD-DEDYPNTBSA-N 336.416 4.091 50 50 EIGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1Cl 4713932 FDJVYULYVZKDBR-MTJSOVHGSA-N 338.794 4.353 50 50 EIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1 228018 FFVGRIFNASHCKX-DEDYPNTBSA-N 336.416 4.091 50 50 EIGA Cc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)s1 2905229 YXDPOZKIQXDEJQ-AWEZNQCLSA-N 340.473 4.329 50 50 EIGA CC(C)(C)c1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2)cc1 30809226 AZDQMWIUOSANOP-MTJSOVHGSA-N 344.842 4.167 50 50 EIGA C[C@@]12CCC[C@@H]1[C@H]1CCC3=C/C(=N/NC(N)=O)CC[C@@]3(C)[C@@H]1CC2 257345778 ITUZGSVPOXPKFO-IJDWEDBTSA-N 329.488 4.364 50 50 EIGA C[P+](Cc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1 101016149 GRDDCGVMOYJCOI-UHFFFAOYSA-N 336.351 4.393 50 50 EIGA O=[PH](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 100157652 QBRQTQSIWMMJGR-UHFFFAOYSA-N 338.187 4.235 50 50 EIGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 293312 JFIKNXQKJNLYRE-VXJOIVPMSA-N 349.217 4.054 50 50 EIGA Cl[C@@H](COC[C@H](Cl)Oc1ccccc1)Oc1ccccc1 2160424 NJXDJZHKWIENTF-HZPDHXFCSA-N 327.207 4.291 50 50 EIGA Cc1cccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c1 5795907 JMJMZMKKMXBGQU-SRZZPIQSSA-N 337.810 4.269 50 50 EIGA CCCCOc1cccc(/C=N/NC(=O)c2csc(C)c2C)c1 2110237 RXBNZFDFXOIVLY-YBFXNURJSA-N 330.453 4.308 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)CNc1cccc2ccccc12 5221639 FAQBAYHFSOYUHR-CHLZUDKUSA-N 343.430 4.457 50 50 EIGA O=[N+]([O-])c1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1 2757555 DEFCFNBAPUCGGI-UHFFFAOYSA-N 337.315 4.109 50 50 EIGA CC[C@@H](Br)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 2141582 MGOSKOFBRYVFRN-MRVPVSSYSA-N 344.558 4.471 50 50 EIGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 182542 HFLXEXCHBAKSPR-NRFANRHFSA-N 341.414 4.124 50 50 EIGA O=C(CCl)N[C@H](c1ccccc1)c1ccccc1OC(F)(F)F 1875375013 NYSBEAXUSYJMNK-OAHLLOKOSA-N 343.732 4.030 50 50 EIGA O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(Cl)c1 65370 WQJFRCXLAHTKLR-CNHKJKLMSA-N 343.597 4.116 50 50 EIGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 182546 HFLXEXCHBAKSPR-OAQYLSRUSA-N 341.414 4.124 50 50 EIGA Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1cc(Cl)ccc1Cl 12504671 VTQYNBLCPPXOCY-SDQBBNPISA-N 335.190 4.393 50 50 EIGA CCc1cc(C(=O)c2ccccc2Cl)c(NC(=O)CCl)s1 196672717 RWDKLJQZPVCCTO-UHFFFAOYSA-N 342.247 4.372 50 50 EIGA CCCc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799753033 KXZAUHNWLXTRAX-UHFFFAOYSA-N 347.340 4.286 50 50 EIGA N#C/C(=C\c1cccc(Oc2ncccn2)c1)c1ccc2c(c1)OCO2 1384374 VPPJSXYPRHMRRY-CXUHLZMHSA-N 343.342 4.062 50 50 EIGA CCOc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 95411 RWYCCBGQFOZVMJ-VXLYETTFSA-N 337.206 4.156 50 50 EIGA COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(OC)c1OC 336531 KCFCUBUYRFWRPG-RIYZIHGNSA-N 329.783 4.430 50 50 EIGA C[C@H](NC(=O)/C(C#N)=C/c1c(F)cccc1Cl)c1ccccc1 459621 AXVWDVRTGRXZHM-LQELWAHVSA-N 328.774 4.263 50 50 EIGA COc1cccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OC(C)C 4811149 RILYJFVBTYEEOJ-BOPFTXTBSA-N 337.375 4.245 50 50 EIGA C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 229973148 RUERQEYRPQPNQF-HNJNHCNJSA-N 348.837 4.180 50 50 EIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 59587 YURLQDBUHBVXJV-QGMBQPNBSA-N 327.598 4.411 50 50 EIGA Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 255704 QQUGBNZKBLUBLH-UHFFFAOYSA-N 347.374 4.386 50 50 EIGA Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 498239 PCZGWBFHUHHFQV-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA CC(C)CCC(O)(CCC(C)C)C(=O)NNc1cccc(Cl)c1 2171839 OBUOQVGFBMRFGO-UHFFFAOYSA-N 340.895 4.387 50 50 EIGA Fc1cc(CBr)cc(Br)c1Br 263624894 UYNLDWFGHKFOCR-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA BrCc1ccc(Br)c(Br)c1 98179589 CSQATZGGKHAYKW-UHFFFAOYSA-N 328.829 4.107 50 50 EIGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccoc3C)ccc21 351690 JIWOGWYFISCMAG-LPYMAVHISA-N 345.402 4.480 50 50 EIGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 2837322 GVFPPYUFAZOCKZ-PXLXIMEGSA-N 341.430 4.216 50 50 EIGA CC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccc(C)cc1 4982304 DMOUOCQUMBMMJH-DNBJZMSNSA-N 333.435 4.169 50 50 EIGA FC(F)(F)C(F)(F)[C@H]1CCCC[C@@H]1I 63146248 DSLYPUILDQBYTC-WDSKDSINSA-N 328.062 4.178 50 50 EIGA Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cccs3)c2C)c1 32625351 GWPBCLLSUFCIEQ-NDENLUEZSA-N 337.448 4.228 50 50 EIGA CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 64528 JXAGEERCTVZLGJ-FMIVXFBMSA-N 335.281 4.435 50 50 EIGA ClC[C@@H](COCc1ccccc1)Oc1nc2ccccc2s1 5736889 QTGIWBCOKPQBON-AWEZNQCLSA-N 333.840 4.499 50 50 EIGA C[C@H](Br)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 235448098 BOBNMRYWIPNLLT-YFKPBYRVSA-N 330.531 4.081 50 50 EIGA N#C/C(=C1/C=CC(=NO)C(Br)=C1)c1ccc(Cl)cc1 254614830 AZBOOVSQUCXHIJ-WOBBRCIPSA-N 335.588 4.296 50 50 EIGA C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 5092375 KXXQYBCIELRTGP-FWIJXGJZSA-N 347.256 4.051 50 50 EIGA CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccsc2)cc1 5726799 KQMFEUXQPPTSPN-FNPLVTCOSA-N 326.465 4.299 50 50 EIGA CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 178173 NIGWZYRPVYYLKY-SNVBAGLBSA-N 327.236 4.085 50 50 EIGA C[C@@H](Cl)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 74941423 QGOPOEHWHFZBQM-SSDOTTSWSA-N 345.649 4.138 50 50 EIGA Brc1ccccc1P(c1ccccc1)c1ccccc1 68569528 XIONUQPOXCUMMB-UHFFFAOYSA-N 341.188 4.207 50 50 EIGA in-vitro c1ccc([P+](C[C@@H]2CCCO2)(c2ccccc2)c2ccccc2)cc1 101011011 GNPCKTHHVBOMEB-FQEVSTJZSA-N 347.418 4.160 50 50 EIGA CC1=C(C)C(C=O)=CC(=CC=C2N(C)c3ccccc3C2(C)C)C1=O 1857525178 PDIQUVDUDKEUMK-UHFFFAOYSA-N 333.431 4.269 50 50 EIGA N#C/C(=C/c1cc(Br)cs1)c1ccc(C(=O)O)cc1 4469315 GJDGFMXLLCBQGX-WZUFQYTHSA-N 334.194 4.273 50 50 EIGA O=C(CCCC[C@@H]1CCSS1)Nc1cc(-c2cccnc2)n[nH]1 133061348 SPVIFJRNJAYGIQ-CYBMUJFWSA-N 348.497 4.124 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cc2ccccc2cc1O 12343194 KXVNURGUEJQKHD-NRLZKTNLSA-N 330.387 4.365 50 50 EIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2ccccc2c1 8926 SAOYLNAVCBAISK-LJQANCHMSA-N 344.414 4.291 50 50 EIGA CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1C2=O 1390313 VCWYUYIYLBLRAU-KRWDZBQOSA-N 332.790 4.432 50 50 EIGA CC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19800776 PCGJPEXFRBFIGF-QGZVFWFLSA-N 326.827 4.468 50 50 EIGA CC(C)c1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc1 43761206 IDPHUGKNPPTDPV-HAHDFKILSA-N 334.463 4.382 50 50 EIGA C=C[Si](C)(C)O[Si](C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C 169747830 YQPHUWZVHLZEPI-UHFFFAOYSA-N 346.724 4.396 50 50 EIGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(Cl)cc1Cl 252320584 BXDUFOVLBLHOAX-MFEGSIHKSA-N 325.239 4.270 50 50 EIGA O=C(Cc1cc2ccccc2[nH]1)N/N=C/c1ccc(Cl)cc1Cl 433371 KWRYJRBLQRLYCK-KEBDBYFISA-N 346.217 4.168 50 50 EIGA CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 19761698 NXDSOJRUMHYGIV-QGZVFWFLSA-N 326.827 4.468 50 50 EIGA O=C(CBr)c1cc(Cl)cc(Cl)c1OC(F)F 263623912 LTXDULPCIMNCTO-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1cccc2ccccc12 4302802 BFVXYNKPZXMHIG-BREKOXKRSA-N 344.414 4.424 50 50 EIGA CC(C)(C)[Si](C)(C)OCCNc1ccc(Br)cc1N 230538577 FLMMCEBYFGWAJH-UHFFFAOYSA-N 345.357 4.465 50 50 EIGA N#CC(C(=O)c1ccc(Cl)cc1Cl)=C1Nc2ccccc2N1 226459 GIXNJYUXNSTMIU-UHFFFAOYSA-N 330.174 4.449 50 50 EIGA CCOc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 5285473 PNULPOFXHYWUQV-XNTDXEJSSA-N 333.391 4.343 50 50 EIGA C/C=C1/C[N@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 252461254 LQDGJFHWZHMWLV-MXKCXKOZSA-O 349.498 4.172 50 50 EIGA biogenic O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1 65597 GHTMJAGUKALNPR-PXLXIMEGSA-N 330.387 4.030 50 50 EIGA CCOC(=O)/C(C#N)=C\c1ccc2noc(-c3ccc(F)cc3)c2c1 12858876 VDXCBZOXWUQOFC-ZROIWOOFSA-N 336.322 4.104 50 50 EIGA Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCCCl)[C@@H]3CCC1 3149649 PXGYTIJQTMPURC-QGZVFWFLSA-N 330.859 4.188 50 50 EIGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1sc1ccccc21 266480 AWUNGDZECIWCDF-MRXNPFEDSA-N 334.400 4.128 50 50 EIGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 2485677 JFIKNXQKJNLYRE-ANRSDYALSA-N 349.217 4.054 50 50 EIGA COc1cc(C(=O)Cl)ccc1OCc1ccc(F)cc1Cl 40451485 KFZGGIJIQGMDBI-UHFFFAOYSA-N 329.154 4.446 50 50 EIGA N#C/C(=C/c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 17071309 FQCNPHTVMADGKM-TWGQIWQCSA-N 340.688 4.497 50 50 EIGA CCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 2520042 PIUADZYAOJQTBZ-RCCKNPSSSA-N 341.455 4.119 50 50 EIGA O=C(CCCc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1 43761173 FPFJGYNTMJMWOO-UDWIEESQSA-N 335.234 4.466 50 50 EIGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 210886 OGMYIHGMFPDLJF-IBGZPJMESA-N 328.371 4.067 50 50 EIGA C[C@H]1C[C@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccccc3)nn12 1857800741 SEWJXPQYIBIJQI-GXSJLCMTSA-N 333.222 4.391 50 50 EIGA O=C(NN(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 255699 CZRAFOYYNONEAX-UHFFFAOYSA-N 333.347 4.078 50 50 EIGA COc1cccc(COc2cccc(NC(=O)[C@H](F)Cl)c2C)c1 2325898648 QCPYSAAAYUZGKP-INIZCTEOSA-N 337.778 4.056 50 50 EIGA O=C(NNc1cccc2cnccc12)c1cnc(-c2ccccc2)s1 170684257 HLHDERNQRPXCGP-UHFFFAOYSA-N 346.415 4.115 50 50 EIGA COc1cccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)c1 4751889 NMEXMOMBXLCOJT-LJQANCHMSA-N 346.386 4.010 50 50 EIGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(-c2ccccc2)cc1 241962 LYRIBNDVGDLKNI-NRFANRHFSA-N 339.398 4.154 50 50 EIGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccn1 4451539 OQDJNDZMDXRHQD-ATVHPVEESA-N 339.402 4.430 50 50 EIGA O=[N+]([O-])c1ccccc1S[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 150254277 KKOQEMZGKXRRQE-NGERZBJRSA-N 328.231 4.249 50 50 EIGA CC(=O)Nc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 25668181 RWKKNGQDXONRNH-XNTDXEJSSA-N 341.208 4.472 50 50 EIGA C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 12343158 QHZAAMCZSQUDDH-BUVRLJJBSA-N 341.414 4.404 50 50 EIGA Cc1c(F)cc(Br)c(N=C=S)c1Br 15443761 REVVQRYXWLSVGG-UHFFFAOYSA-N 325.000 4.393 50 50 EIGA COc1ccccc1/C=N/NC(=O)c1sc2ccccc2c1Cl 585211 WWZYALWHFZHXND-VXLYETTFSA-N 344.823 4.327 50 50 EIGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccccc1 1885315 CUODEKKYJJDAEM-KCHOUBKZSA-N 349.217 4.188 50 50 EIGA CC(C)C(=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1 245232251 RUVFNJHBOGFHRO-UHFFFAOYSA-N 332.403 4.336 50 50 EIGA N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 16671851 XHJFAHMHCMIATE-VGOFMYFVSA-N 348.383 4.309 50 50 EIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 58714 VSMYMJZMJWLXIZ-HXUWFJFHSA-N 342.398 4.168 50 50 EIGA C[C@@]12CC/C(=N\NC(N)=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 257345781 ITUZGSVPOXPKFO-SDSUSLIRSA-N 329.488 4.364 50 50 EIGA Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@@H](F)Cl 2325897928 MTMUOVDGBIKESQ-OAHLLOKOSA-N 349.768 4.161 50 50 EIGA CC(C)Cc1cc(C(=O)N/N=C/c2cccs2)c2ccccc2n1 2737960 KLOWSHQMUBYKGM-UDWIEESQSA-N 337.448 4.259 50 50 EIGA COc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)cc1OC 6247658 NCJWOQWMURNTIU-UHFFFAOYSA-N 327.767 4.298 50 50 EIGA CC(/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)=C\c1ccccc1 8903480 FQYXEUGKGRQFCK-UKTRXVHSSA-N 344.418 4.204 50 50 EIGA Cc1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2n1 547519 JVTCMHFEMJIXEF-LPYMAVHISA-N 331.419 4.431 50 50 EIGA Cc1ccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 6211398 CNQSWAJCZSOODZ-SRZZPIQSSA-N 337.810 4.269 50 50 EIGA O=[N+]([O-])c1ccc(-c2nc(C(Cl)Cl)n(-c3ccccc3)n2)cc1 494814 UNXNOHZUWCLGON-UHFFFAOYSA-N 349.177 4.319 50 50 EIGA [C-]#[N+][C@@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 100058496 QFUQFRUMFOTOKF-OAHLLOKOSA-N 339.338 4.406 50 50 EIGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc3ccccc3cc21 52180 QMDQXMYXTKFEKS-HXUWFJFHSA-N 328.371 4.067 50 50 EIGA COc1cccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 71058 ANZPTXAZOGLDSV-IBGZPJMESA-N 328.371 4.067 50 50 EIGA Cn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3F)ccc21 15933940 QCBRIYMFGNPLAP-YDZHTSKRSA-N 345.377 4.235 50 50 EIGA O=C(Cl)c1cccc(OCc2cccc(Br)c2)c1 40451460 XANJWXMRLUPZRF-UHFFFAOYSA-N 325.589 4.407 50 50 EIGA FC(F)(F)C(F)(F)[C@@H]1CCCC[C@@H]1I 63146251 DSLYPUILDQBYTC-RITPCOANSA-N 328.062 4.178 50 50 EIGA O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2569266 ZEKBFXJTIAEUOF-UHFFFAOYSA-N 335.041 4.302 50 50 EIGA in-vitro COc1ccc(/C=N/NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 295094 ZLXNEJFWOBRJJQ-SITPEIFSSA-N 338.451 4.148 50 50 EIGA BrCc1cccc(CBr)c1Br 2559789 HSYMWXREIPJGHX-UHFFFAOYSA-N 342.856 4.239 50 50 EIGA in-vitro CC(C=Cc1ccccc1)=NNC(=O)c1cc(C)nc2ccccc12 2049336735 AZCVJMCIKSIGAM-UHFFFAOYSA-N 329.403 4.362 50 50 EIGA N#CC(C#N)=C1c2ccccc2[C@@H]2C(=C(C#N)C#N)c3ccccc3[C@H]12 2518994 VRRKGMFDGRAQHR-FGZHOGPDSA-N 330.350 4.183 50 50 EIGA C/C(=N\NC(=O)c1ccccc1O)c1ccc(-c2ccccc2)cc1 4699790 WKRPONHLIJUYDE-PXLXIMEGSA-N 330.387 4.213 50 50 EIGA COc1ccc(CBr)cc1-c1cccc(OC)c1OC 725264248 RJWDPLMAJMDQGM-UHFFFAOYSA-N 337.213 4.274 50 50 EIGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Br)o3)nc2c1 5028083 FWEZPDICSQWBJA-YFHOEESVSA-N 328.169 4.291 50 50 EIGA CCCc1ccc(OCC(=O)N/N=C(C)/C=C/c2ccccc2)cc1 4372715 BJGRZWVEYYXAED-GSMUNGNHSA-N 336.435 4.223 50 50 EIGA C[C@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1 169831284 HGTCUWCQIIQFJT-CQSZACIVSA-N 328.550 4.118 50 50 EIGA Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4210685 ZTDQVWWCODTVER-HYARGMPZSA-N 331.419 4.166 50 50 EIGA CCCCCC1CCC(C(=O)NNC(=S)Nc2ccccc2)CC1 4052844 WKBYUOLKPJLYAD-UHFFFAOYSA-N 347.528 4.391 50 50 EIGA COc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 12371062 KMHYMXPMEHGEHC-SQFISAMPSA-N 340.386 4.426 50 50 EIGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(-c2ccccc2)cc1 241638 PZEYJEMEKVAMAA-NRFANRHFSA-N 340.382 4.277 50 50 EIGA COc1ccc(C(=O)N/N=C(/C)c2ccc3c4c(cccc24)CC3)cc1 299532 AAJFQPQGEPQUDW-UCQKPKSFSA-N 344.414 4.101 50 50 EIGA COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)cc1 1401033 CUCVMUNSWURPRE-IBGZPJMESA-N 346.386 4.010 50 50 EIGA COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1[N+](=O)[O-] 4821308 LUZQEXKQIWRWPK-RIYZIHGNSA-N 348.362 4.161 50 50 EIGA Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccncc1 615281 PWFKASNJTBUWBE-WQRHYEAKSA-N 344.374 4.462 50 50 EIGA Cc1ccsc1/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12 6452096 VNWRXUONOABAER-RGVLZGJSSA-N 335.432 4.246 50 50 EIGA Cc1cccc(C)c1NC(=O)N/N=C\c1ccc(Br)cc1 100376159 QVNLLEFLGISSAQ-ZDLGFXPLSA-N 346.228 4.222 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 4372871 ZQYSGXFPHQQOEA-MTBADWAMSA-N 342.826 4.313 50 50 EIGA N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc(F)cc1 13124813 NIAFXTVLMSVOLW-VBKFSLOCSA-N 332.334 4.379 50 50 EIGA CCOC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3136860 YLVBXXCJZDMLMB-NTEUORMPSA-N 329.440 4.457 50 50 EIGA CO[C@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011086 YOGQULVUEGCRCT-LJQANCHMSA-N 335.407 4.015 50 50 EIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1 79884 WUJXZJYOTMYIOZ-LJQANCHMSA-N 328.371 4.067 50 50 EIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)Nc1ccccc1 298033 OQPZRZBDLCSUDJ-PXLXIMEGSA-N 345.402 4.421 50 50 EIGA COc1ccc(OC)c(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1 4810738 PPKKPRAKEFYEND-OQLLNIDSSA-N 333.391 4.261 50 50 EIGA C[C@H]1CCCCCCCCCCC1=NNC(=O)CC1(C)OCCO1 252680257 YBWFCJAVYGZCAH-INIZCTEOSA-N 338.492 4.162 50 50 EIGA COc1cccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)c1 4751890 NMEXMOMBXLCOJT-IBGZPJMESA-N 346.386 4.010 50 50 EIGA CC1(C)OB(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)OC1(C)C 223085508 HUHNCIBKFJVPQH-UHFFFAOYSA-N 334.341 4.370 50 50 EIGA CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1C2=O 1390312 VCWYUYIYLBLRAU-QGZVFWFLSA-N 332.790 4.432 50 50 EIGA Cc1ccsc1/C=N/NC(=O)c1ccc(OC2CCCC2)cc1 2730445 RIBHEHRXCNRADR-XDHOZWIPSA-N 328.437 4.142 50 50 EIGA C[C@H](Cl)C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 1875363673 RJVPYSBLONHOJG-KBPBESRZSA-N 344.842 4.086 50 50 EIGA CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 178174 NIGWZYRPVYYLKY-JTQLQIEISA-N 327.236 4.085 50 50 EIGA O=C(CBr)c1cc(OC(F)F)cc(Cl)c1Cl 263625253 YBVWVZFGLIMLTF-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA ICCc1ccc(OCc2ccccc2)cc1 38821817 YEEFLZIZMHPFFY-UHFFFAOYSA-N 338.188 4.243 50 50 EIGA CCCCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)cc1 2110222 OGNBQOVATMMEGN-YBFXNURJSA-N 330.453 4.308 50 50 EIGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc4c(cc3Cl)OCO4)nc2c1 4739797 YILZFCFPYCEBNZ-XGICHPGQSA-N 337.766 4.318 50 50 EIGA N#C/C(=C\c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 609743 WYRREQBAWZYLBX-MDWZMJQESA-N 338.215 4.332 50 50 EIGA CCc1ccc(/C=N/NC(=O)c2csc3c2CC[C@@H](C)C3)s1 2785215 AINOGPXKOKTXMK-PBFYJAPKSA-N 332.494 4.261 50 50 EIGA CC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 19800777 PCGJPEXFRBFIGF-KRWDZBQOSA-N 326.827 4.468 50 50 EIGA N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 100505657 MDHFVZWARGLKRX-GDNBJRDFSA-N 340.726 4.074 50 50 EIGA CCCSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 2295379 FGNQDVZMAXHGAE-NSHDSACASA-N 341.263 4.475 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)OCc2ccccc2)C1 223513124 HNYNRAMHMUIXAN-INIZCTEOSA-N 335.520 4.419 50 50 EIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 274424 PFNKOWHXNSDWQW-QGMBQPNBSA-N 327.598 4.411 50 50 EIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 38767 QCGHSHZXEYSVDT-LJQANCHMSA-N 344.414 4.291 50 50 EIGA COc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 298077 VUZGDHDGQPOCPW-UHFFFAOYSA-N 345.613 4.412 50 50 EIGA O=C(Cl)c1cc(-c2ccncc2)nc2ccc(Br)cc12 6335118 ZXATWKBLAYJTQO-UHFFFAOYSA-N 347.599 4.438 50 50 EIGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccccc1Br 401140 ULCSKRJYTVBPDF-KPKJPENVSA-N 328.165 4.242 50 50 EIGA C/C(=N/NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 12342864 OTJQQUIRFGDVJK-QJOMJCCJSA-N 344.414 4.273 50 50 EIGA C/C=C1/C[N@@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 257361125 LQDGJFHWZHMWLV-MWGPCZFRSA-O 349.498 4.172 50 50 EIGA CN(CCCN1c2ccccc2Sc2ccccc21)C(=O)CCl 1875374757 DGIQIBHRQRNGPY-UHFFFAOYSA-N 346.883 4.377 50 50 EIGA CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1 5059047 UZTJWBGSDOLBPF-QINSGFPZSA-N 345.402 4.421 50 50 EIGA COc1cccc(COc2cccc(NC(=O)[C@@H](F)Cl)c2C)c1 2325898649 QCPYSAAAYUZGKP-MRXNPFEDSA-N 337.778 4.056 50 50 EIGA ClCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 39254167 LPEOOLUJVHRDAF-UHFFFAOYSA-N 343.217 4.011 50 50 EIGA O=C1C(Cl)=C(Cl)[C@]2(Cl)C(Cl)(Cl)[C@H](Cl)[C@@]12Cl 104043305 OJLAPVLLQZSRCI-NGJCXOISSA-N 349.255 4.008 50 50 EIGA Cc1sc2ccccc2[n+]1CCCCCI 1771941 OSZCOAHBJSBDIN-UHFFFAOYSA-N 346.257 4.103 50 50 EIGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 4964222 NGPKIJGIVHNVSB-JCMHNJIXSA-N 330.387 4.213 50 50 EIGA CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1 15745619 HNGWZGJBJQAMJK-BKUYFWCQSA-N 335.407 4.013 50 50 EIGA C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1 4474959 XUYYGTIWLSKZCH-KMYAOZERSA-N 344.414 4.126 50 50 EIGA C[C@H](Br)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 152387 XFNFXCLXYDJRGU-YFKPBYRVSA-N 330.531 4.081 50 50 EIGA Cc1ccc2[nH]c(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3Cl)nc2c1 5044841 DYHKGROGHPFQAY-KPKJPENVSA-N 338.754 4.497 50 50 EIGA Fc1c(Br)ccc(Br)c1CBr 263623766 KODBAKZJXRJHGZ-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA O=C(NN=C1C2CC3CC(C2)CC1C3)c1c(O)ccc2ccccc12 17070481 XXPNGLFILNINCB-UHFFFAOYSA-N 334.419 4.087 50 50 EIGA Cc1cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(C)o1 228257 PULVDPBGOYFFJX-LPYMAVHISA-N 348.402 4.239 50 50 EIGA Fc1cc(Br)c(CBr)c(Br)c1 263624421 QHTINKMUZDQXPW-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 19832200 XRZTVXSRWHMXRP-INIZCTEOSA-N 332.325 4.197 50 50 EIGA N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(Br)c1 15745740 GITGUKAFZPLUOC-WQLSENKSSA-N 345.171 4.134 50 50 EIGA BrC[C@H](Br)c1ccc(Br)cc1 2147173 NRUIEVHCKHZAHT-QMMMGPOBSA-N 342.856 4.280 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12OCC[C@@H]2Br 169834334 XSGGDTGVUHXLFR-SCRDCRAPSA-N 335.358 4.483 50 50 EIGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(Cl)cc1Cl 245226553 BXDUFOVLBLHOAX-PDQJTVRBSA-N 325.239 4.270 50 50 EIGA CC(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N\NC(=O)c1ccncc1 131431 SGWJAQIGQNOSND-LYBHJNIJSA-N 346.434 4.157 50 50 EIGA CSC1=C(C#N)[C@@H](c2cccc(Oc3ccccc3)c2)CC(=O)N1 9089148 VHEZXHKCWAOEDL-MRXNPFEDSA-N 336.416 4.181 50 50 EIGA C/C(=N/NC(=O)Nc1ccccc1)c1cc(Cl)cc(Cl)c1O 17070966 DHXWTUYWZJZRRC-OCKHKDLRSA-N 338.194 4.245 50 50 EIGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)cc1 471925 LMMHHZGSJPCZIZ-UHFFFAOYSA-N 349.342 4.393 50 50 EIGA N#C/C(=C/C=C/c1ccco1)C(=O)Nc1cccc(Br)c1 15745663 YLAYVPKDZMJCRJ-FPRYLXCSSA-N 343.180 4.144 50 50 EIGA O=C1C(Cl)=C(Cl)[C@]2(Cl)C(Cl)(Cl)[C@H](Cl)[C@]12Cl 104043298 OJLAPVLLQZSRCI-HSUXUTPPSA-N 349.255 4.008 50 50 EIGA Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Cl)c2c1 6279241 IXMUHHLQSJKZJQ-UHFFFAOYSA-N 325.751 4.318 50 50 EIGA O=C(NN(c1ccccc1)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 15230864 IOGDSSPQUSLQFU-JWTNVVGKSA-N 348.446 4.251 50 50 EIGA O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 39959699 NLXSBJGLYAHMCS-ZDUSSCGKSA-N 339.247 4.318 50 50 EIGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2cccs2)n[nH]1 8818121 YPXWEIZLJVCZFT-UDWIEESQSA-N 346.415 4.055 50 50 EIGA O=C1C(Cl)=C(N[C@@H](Cl)c2ccccc2)C(=O)c2ccccc21 100810101 IUSYVBOLSCZCGO-QGZVFWFLSA-N 332.186 4.043 50 50 EIGA N#C/C(=C\Nc1ccc(Cl)c(C(=O)O)c1)c1nc2ccccc2o1 333698 DZKWJBMVMFHJBW-MDZDMXLPSA-N 339.738 4.156 50 50 EIGA CCOC(=O)c1[nH]c2c(c1C)C(Sc1ccccc1)=C(C=O)CC2 333894 WLGZRMNKONNLNM-UHFFFAOYSA-N 341.432 4.148 50 50 EIGA COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O 5130346 YZDNIWMQJHTCIJ-WUXMJOGZSA-N 339.782 4.303 50 50 EIGA CC1=C(c2ccccc2)C(c2ccccc2)=C(C)[C@@H]2C(=O)OC(=O)[C@H]12 101125278 CLHNFSDLWQTYGD-BGYRXZFFSA-N 330.383 4.263 50 50 EIGA COc1cc(OC)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 16361056 YAFHFWMBSFQKRP-QPEQYQDCSA-N 344.754 4.330 50 50 EIGA C=CCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OC)c1 4599119 ZWXXNDKTBRJUAF-HMMYKYKNSA-N 332.444 4.158 50 50 EIGA CC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccccc1C 4982151 NZZQVKAKUYOZOA-OCNQYIBWSA-N 333.435 4.169 50 50 EIGA O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1O 440497 YMJRBYXMRGMEOY-RGVLZGJSSA-N 340.766 4.070 50 50 EIGA CC1CCC(=NNC(=O)COc2ccc(Cl)cc2Cl)CC1 231862 ALEFDMBZPGFOGD-UHFFFAOYSA-N 329.227 4.055 50 50 EIGA N#C/C(=C/c1ccccc1Br)c1ccc(C(=O)O)cc1 2883251 ZNUFMSIHOGURSB-ZROIWOOFSA-N 328.165 4.211 50 50 EIGA C[C@@H](Cl)C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 1875363676 RJVPYSBLONHOJG-ZIAGYGMSSA-N 344.842 4.086 50 50 EIGA Cl[C@@H](COC[C@@H](Cl)Oc1ccccc1)Oc1ccccc1 2160422 NJXDJZHKWIENTF-IYBDPMFKSA-N 327.207 4.291 50 50 EIGA O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc(Cl)s1 4647133 HMIKQLLFYPSENL-SOFYXZRVSA-N 333.627 4.472 50 50 EIGA COCCn1c(C)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1C 16383947 SYORHWKDQIJYNK-BOPFTXTBSA-N 334.423 4.000 50 50 EIGA COc1cc(C(=O)Cl)ccc1OCc1c(F)cccc1Cl 40451570 BOLNYLJMKZGOJH-UHFFFAOYSA-N 329.154 4.446 50 50 EIGA CSC(=S)O[C@H]1[C@H](C)OC=C[C@@H]1O[Si](C)(C)C(C)(C)C 169830942 USGUIWJWEQFMRB-SRVKXCTJSA-N 334.579 4.342 50 50 EIGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 22130581 XEIOUPOEJRQJJF-UVTDQMKNSA-N 326.783 4.203 50 50 EIGA O=C(CBr)c1c(Cl)ccc(OC(F)F)c1Cl 263625284 YJCYGJUCGYVPKD-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc(Cl)c1 60210 CSTLZUZTZAGKPZ-SRZZPIQSSA-N 344.842 4.301 50 50 EIGA O=C(Cc1cccc2ccccc12)NN=Cc1ccc2c(c1)CCC2 16980053 FSLFNUDEOZCNQI-UHFFFAOYSA-N 328.415 4.021 50 50 EIGA CCCOc1ccccc1/C=C(/C#N)c1nc(O)c2ccccc2n1 4170210 YNFJSTFEBAKURV-QINSGFPZSA-N 331.375 4.188 50 50 EIGA C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(N)cc1 269025 OGDNPXIQRNCLSV-JMIUGGIZSA-N 343.839 4.291 50 50 EIGA N#C/C(=C\c1cccc(Cl)c1)c1nn(-c2ccccc2)c(N)c1C#N 4491897 MCNUXTPXHYCCOA-NTEUORMPSA-N 345.793 4.044 50 50 EIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 4957815 OKGLCWUXDWLGIE-KGENOOAVSA-N 345.358 4.026 50 50 EIGA COc1cccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OC(C)C 12382739 SZOHOVBBUHZCER-YBEGLDIGSA-N 338.363 4.455 50 50 EIGA Cc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)cc1 3953489 RGHCQLWSFGREJY-UHFFFAOYSA-N 327.387 4.453 50 50 EIGA CCOc1cc(-c2nc(CCl)cs2)cc(Br)c1O 17072465 BRGHHSWDPSXKHP-UHFFFAOYSA-N 348.649 4.416 50 50 EIGA O=C(CBr)c1c(Cl)ccc(Cl)c1OC(F)F 263623285 GFNLJVXYUHRTMW-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA ClC[C@H](COCc1ccccc1)Oc1nc2ccccc2s1 6475188 QTGIWBCOKPQBON-CQSZACIVSA-N 333.840 4.499 50 50 EIGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc3ccccc3c2)[nH]n1 8462821 PTIJHEQVUMRYGO-UDWIEESQSA-N 346.415 4.055 50 50 EIGA N#C/C(=C\Nc1ccccc1C(=O)O)c1nc2cc(Cl)ccc2o1 20027301 FLOJDPJZHYYNQQ-MDZDMXLPSA-N 339.738 4.156 50 50 EIGA CC[C@H](Br)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 2141581 MGOSKOFBRYVFRN-QMMMGPOBSA-N 344.558 4.471 50 50 EIGA O=C(COc1ccccc1Cl)N/N=C/c1cccc2ccccc12 567292 MWHKDRHQPVZSHR-CIAFOILYSA-N 338.794 4.022 50 50 EIGA N#C/C(=C/c1ccsc1)C(=O)Nc1nc(-c2ccccc2)cs1 17070918 HAXKMWXZMIJHKO-ZSOIEALJSA-N 337.429 4.417 50 50 EIGA C[C@H](CCl)OP(=O)(OCCCCl)OCCCCl 143083497 LURCDQJWIBOOGP-SECBINFHSA-N 327.572 4.029 50 50 EIGA Brc1ccc(CCCCI)cc1 144945037 NNODILDPJHTNHY-UHFFFAOYSA-N 339.014 4.207 50 50 EIGA Cc1ccc(C)c(NC(=S)NNC(=O)c2csc(C(C)C)c2)c1 8685691 IMSMDKMTNZYYLM-UHFFFAOYSA-N 347.509 4.120 50 50 EIGA O=[N+]([O-])c1ccccc1S[C@@H]1C2=C[C@@H](CC2)[C@H]1Br 409415512 MXHJFZDOJNBXBG-BZHVJNSISA-N 326.215 4.169 50 50 EIGA CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 19761700 NXDSOJRUMHYGIV-KRWDZBQOSA-N 326.827 4.468 50 50 EIGA COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1C 25757840 FRVFOUNCVACUCW-LJQANCHMSA-N 336.435 4.131 50 50 EIGA C/C(=N/NC(=O)CCc1ccccc1)c1ccc2ccccc2c1O 100300204 ZKEZFFZRLAFKKS-JCMHNJIXSA-N 332.403 4.018 50 50 EIGA Cc1c([C@@H]2c3ccccc3C(=O)N2CCCl)c2ccccc2n1C 334163429 RTCKWNKRRXHBFM-IBGZPJMESA-N 338.838 4.271 50 50 EIGA Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H](F)Cl 2325897927 MTMUOVDGBIKESQ-HNNXBMFYSA-N 349.768 4.161 50 50 EIGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 250701 QPAXLBFSORAGDX-KGENOOAVSA-N 345.358 4.026 50 50 EIGA CCCc1cc(C(=O)N/N=C/C=C/c2ccco2)c2ccccc2n1 2783198 XMSPSGOSHAVMQZ-OSHDIQQQSA-N 333.391 4.209 50 50 EIGA Cc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(C)o1 381505 STVCPOHZUSXTEK-FYJGNVAPSA-N 334.375 4.453 50 50 EIGA Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1 245552 LLJKCXGCZNAIPT-GOSISDBHSA-N 336.435 4.063 50 50 EIGA CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C/c3ccco3)csc2C1 375051 BGJVWIOVLZQNNL-NJDFMEINSA-N 330.453 4.256 50 50 EIGA Cn1cc([C@H]2c3ccccc3C(=O)N2CCCCl)c2ccccc21 334163104 LPDVIPCIYSHQPE-LJQANCHMSA-N 338.838 4.352 50 50 EIGA O[Si@](CCCN1CCCCC1)(c1ccccc1)C1CCCCC1 1857524798 QTBCATBNRIYMPB-HSZRJFAPSA-N 331.576 4.042 50 50 EIGA in-vitro Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1 245555 LLJKCXGCZNAIPT-SFHVURJKSA-N 336.435 4.063 50 50 EIGA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(N)C(C)(C)C 6921133 HIIIZRSGWATXGZ-UHFFFAOYSA-N 342.226 4.071 50 50 EIGA CC(/C=C/c1ccccc1)=N/NC(=O)c1cccc(Br)c1 65127 BAPJYUTWLYSJMH-SOXNPBTNSA-N 343.224 4.268 50 50 EIGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)cc1 3896775 BWOQSHCWRUPELT-NBVRZTHBSA-N 334.419 4.331 50 50 EIGA CCCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 2295378 FGNQDVZMAXHGAE-LLVKDONJSA-N 341.263 4.475 50 50 EIGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1O 2885791 ALPRRXUIKVFIIQ-CNHKJKLMSA-N 343.597 4.116 50 50 EIGA O=[N+]([O-])c1ccccc1S[C@H]1C2=C[C@@H](CC2)[C@@H]1Br 409415513 MXHJFZDOJNBXBG-JCOFBHIZSA-N 326.215 4.169 50 50 EIGA O=C(Cc1ccc(Cl)cc1)NN=C1c2ccccc2-c2ccccc21 2896118 VLYAJSSWSPWNLR-UHFFFAOYSA-N 346.817 4.432 50 50 EIGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1 296184 QMOAGEFZQCHUSG-LJQANCHMSA-N 328.371 4.067 50 50 EIGA COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(Cl)cc1 13546824 GQWAYTXSIXXGHT-QPEQYQDCSA-N 344.754 4.330 50 50 EIGA O=C(CCCC[C@H]1CCSS1)Nc1nnc(C2CCC2)s1 888103981 QISUPHYVPXQRQL-NSHDSACASA-N 343.543 4.458 50 50 EIGA O=C1C(Cl)=C(Cl)[C@]2(Cl)C(Cl)(Cl)[C@@H](Cl)[C@@]12Cl 100660841 OJLAPVLLQZSRCI-HCWXCVPCSA-N 349.255 4.008 50 50 EIGA CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2CCC(C)(C)C3)cc1O 406275 ZTIGLVALLPZNCX-GOSISDBHSA-N 340.423 4.063 50 50 EIGA COc1ccc([C@@H](CCBr)NC(=O)OC(C)(C)C)cc1 35633062 SVVVYYWYCSWULE-CYBMUJFWSA-N 344.249 4.046 50 50 EIGA CC(=O)Nc1cccc(SSc2cccc(NC(C)=O)c2)c1 446219 ZFMCDMQLSPJFDD-UHFFFAOYSA-N 332.450 4.403 50 50 EIGA C[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 101016156 RLZPVXZQPHPWED-UHFFFAOYSA-N 331.297 4.028 50 50 EIGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 210890 OGMYIHGMFPDLJF-LJQANCHMSA-N 328.371 4.067 50 50 EIGA N#C/C(=C\Nc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 221824439 CKXXPYBDTSMQGI-HEHNFIMWSA-N 344.354 4.478 50 50 EIGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 2568881 STFGAAGZCBUZDR-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA COc1ccc(C(=O)[C@@H](Br)c2ccc(OC)cc2)cc1 5360434 BJCIJTYQFAOPCE-HNNXBMFYSA-N 335.197 4.023 50 50 EIGA Cc1occc1C(=O)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 6556458 MLXWHSNUNFEOND-UHFFFAOYSA-N 342.439 4.202 50 50 EIGA CC1=C(C)C(C=O)=C/C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O 135868097 PDIQUVDUDKEUMK-BGBBXHMWSA-N 333.431 4.269 50 50 EIGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccn1 227866 LOVBAVDGSNDMLO-OEAKJJBVSA-N 325.371 4.152 50 50 EIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1 66784 UPDJOFFFOYXSJF-LJQANCHMSA-N 328.371 4.067 50 50 EIGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1 299794 RJWYKGOIEDXZGH-UHFFFAOYSA-N 346.430 4.212 50 50 EIGA COc1ccc(-c2csc3nc(C(Cl)Cl)[nH]c(=O)c23)cc1 123097568 MWFRRZUHJKZLSK-UHFFFAOYSA-N 341.219 4.136 50 50 EIGA N#C/C(=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 148296 YLIMOSOKIMUSCO-RIYZIHGNSA-N 338.215 4.332 50 50 EIGA O=C(NNC(=O)c1csc2ccccc12)Nc1cccc(Cl)c1 371666 NKSUASKQZIZBIJ-UHFFFAOYSA-N 345.811 4.021 50 50 EIGA CC(C)Cc1cc(C(=O)N/N=C/c2ccsc2)c2ccccc2n1 2738200 DEISBVLGCBHKRJ-RGVLZGJSSA-N 337.448 4.259 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cccc(Br)c1 13114188 BAPJYUTWLYSJMH-LHBLNFFHSA-N 343.224 4.268 50 50 EIGA O=C(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 4284677 WYJZTLHKOJBVSA-UHFFFAOYSA-N 334.984 4.226 50 50 EIGA N#C/C(=C\c1ccc(Cl)s1)S(=O)(=O)c1ccc(Cl)cc1 14178698 CTDYSXUWUWDFQW-KPKJPENVSA-N 344.244 4.393 50 50 EIGA N#CC(C#N)=C1c2ccccc2[C@@H]2C(=C(C#N)C#N)c3ccccc3[C@@H]12 100660286 VRRKGMFDGRAQHR-SZPZYZBQSA-N 330.350 4.183 50 50 EIGA CC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(N1)C1CCN2CC1 1399707 QAZGHRTZNXMOSS-INIZCTEOSA-N 346.261 4.415 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1 4372869 ZQYSGXFPHQQOEA-HGDFLFJISA-N 342.826 4.313 50 50 EIGA Cc1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c(C)o1 228324 SQJMGMJPOZKFGT-XYZJYNETSA-N 347.212 4.048 50 50 EIGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1 5297582 COCBQWKULMUEKL-LPYMAVHISA-N 346.434 4.272 50 50 EIGA O=C(N/N=C/c1ccc(F)cc1)c1sc2ccccc2c1Cl 37275 HKDJTVMYSCJBFN-DJKKODMXSA-N 332.787 4.458 50 50 EIGA COc1ccc(/C=N/NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 295092 ZLXNEJFWOBRJJQ-CAUNFOBBSA-N 338.451 4.148 50 50 EIGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 5317561 WXDQUZLWDNQZPB-HYARGMPZSA-N 346.434 4.138 50 50 EIGA CCCCCCCCCC[C@H](Br)[C@H]1OC[C@@H](CO)O1 216173175 OMWWOGKQMCCMAF-ILXRZTDVSA-N 337.298 4.015 50 50 EIGA O=C(Cl)c1cc(-c2ccccn2)nc2ccc(Br)cc12 40451321 JPKMHMLNKZTSRS-UHFFFAOYSA-N 347.599 4.438 50 50 EIGA CC(C)(C)OC(=O)n1c(C#N)cc2cc(CBr)ccc21 225822035 YUUTYVWDOQDRDA-UHFFFAOYSA-N 335.201 4.191 50 50 EIGA CC/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(C)o1 372877 MYFZKPYWUGTRCV-HMMYKYKNSA-N 337.379 4.096 50 50 EIGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C(C)C)cc1 43639795 LOLPTJMVWHCBPD-MGJRNWPKSA-N 336.435 4.394 50 50 EIGA N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 5023776 QDTKHSPLSDVBQL-XFFZJAGNSA-N 333.174 4.245 50 50 EIGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccnc1 227615 HNGMCZQRNYTXMT-OEAKJJBVSA-N 325.371 4.152 50 50 EIGA O=C(NNc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl 3898942 UYVRWOZEZSFRMX-UHFFFAOYSA-N 347.783 4.220 50 50 EIGA N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@H]1c1ccco1 9331112 JEQAQLSDNPDENX-GFCCVEGCSA-N 344.823 4.205 50 50 EIGA Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccnc1 615279 FPQHKBLCVRMBNX-ZDLGFXPLSA-N 344.374 4.462 50 50 EIGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1O 102301450 RGFRILQYOKSCPF-HMMYKYKNSA-N 334.460 4.469 50 50 EIGA O=C(Cc1cccc2ccccc12)N/N=C/c1c[nH]c2ccccc12 72494 AMNYPOYHYBTCMY-OEAKJJBVSA-N 327.387 4.014 50 50 EIGA CCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)s1 17070961 KNMAQCMZRRIDJJ-OQLLNIDSSA-N 337.853 4.302 50 50 EIGA [C-]#[N+][C@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 100058494 QFUQFRUMFOTOKF-HNNXBMFYSA-N 339.338 4.406 50 50 EIGA CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl 2511850 SOUGWDPPRBKJEX-CQSZACIVSA-N 336.646 4.008 50 50 EIGA biogenic,in-vitro N#C/C(=C/c1ccc(Br)s1)c1ccc(C(=O)O)cc1 4821339 KVTUILZKVBCHCF-XFFZJAGNSA-N 334.194 4.273 50 50 EIGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CC[C@@H](c1ccccc1)C2 74941476 STNRKOCXVVIODB-WCQYABFASA-N 344.867 4.458 50 50 EIGA Fc1ccc(Br)c(Br)c1CBr 263623967 MGGAVGJIYMIWGC-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA CSc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)cc1 355546 GHQGTUJVKJXIGM-VCHYOVAHSA-N 330.478 4.113 50 50 EIGA Cc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccccc3)C2)cc1C 36015863 YGLSSLAJQFKIQS-SFHVURJKSA-N 326.827 4.220 50 50 EIGA C[C@@H](CCl)OP(=O)(O[C@@H](C)CCl)O[C@H](C)CCl 2019520 KVMPUXDNESXNOH-XHNCKOQMSA-N 327.572 4.026 50 50 EIGA biogenic N#Cc1c(C(Br)Br)ccc(F)c1Cl 59124777 PDAXKKVQGYJLIT-UHFFFAOYSA-N 327.378 4.139 50 50 EIGA CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccs1 158769 WXEMHGQXMBZFJU-SDNWHVSQSA-N 349.415 4.071 50 50 EIGA CC1(C)CC(=O)C2=C(C1)NC(SCC#N)=C(C#N)[C@H]2c1ccccc1 4730799 JVWRANRITSNERI-QGZVFWFLSA-N 349.459 4.009 50 50 EIGA O=C(Cc1ccccc1)NNc1c2ccccc2nc2ccccc12 5078314 LJVNVNPZKNOHEB-UHFFFAOYSA-N 327.387 4.074 50 50 EIGA CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 19832199 XRZTVXSRWHMXRP-MRXNPFEDSA-N 332.325 4.197 50 50 EIGA CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](OC(=O)c2ccccc2)O1 169834927 CVBYDQLRKNLFFR-HOTGVXAUSA-N 336.504 4.370 50 50 EIGA Cc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)o1 280898 GFZJAZYMIBKCRC-KMUCBOENSA-N 344.414 4.044 50 50 EIGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)c(Cl)c1 43761347 JURGJLFYMCRNFG-ZVBGSRNCSA-N 346.217 4.168 50 50 EIGA N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 12363419 HPXOEEKTHKCHFP-GHXNOFRVSA-N 345.152 4.127 50 50 EIGA C/C(=N\NC(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 135114 XWGKMUVHQZNVRW-HAVVHWLPSA-N 328.415 4.437 50 50 EIGA N#CC1=CCN(C(=O)c2cc(C(F)(F)F)cc3ccccc23)CC1 1875338842 NNTYUIXJSNZSEY-UHFFFAOYSA-N 330.309 4.154 50 50 EIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)cc1 58713 VSMYMJZMJWLXIZ-FQEVSTJZSA-N 342.398 4.168 50 50 EIGA Cc1cc(O[C@@H](C)C(=O)N/N=C/C=C/c2ccccc2)ccc1Cl 4647135 SNEYQAPCZMRNLZ-YQYXIETFSA-N 342.826 4.231 50 50 EIGA O=C(CBr)c1c(OC(F)F)ccc(Cl)c1Cl 263623935 LYROANQEYSMDNH-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 4107959 YRJWPAJTAWMEPP-NTEUORMPSA-N 341.292 4.123 50 50 EIGA Cc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 565803 KUBOAHJQZZVRQK-HZHRSRAPSA-N 344.414 4.191 50 50 EIGA O=C(Cl)c1ccc(OCc2cccc(Br)c2)cc1 40451455 VWMDCYFZQLDHRV-UHFFFAOYSA-N 325.589 4.407 50 50 EIGA C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(N)c1 112457 ROOSDNAXRADJFF-HZHRSRAPSA-N 329.403 4.090 50 50 EIGA CCCCCCCCCC[C@H](Br)[C@H]1OC[C@H](CO)O1 3122108 OMWWOGKQMCCMAF-KKUMJFAQSA-N 337.298 4.015 50 50 EIGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)cc1 5496719 SUNCBRNWDHCNLS-WSDLNYQXSA-N 346.377 4.349 50 50 EIGA CCCCCCCC(=O)N/N=C/c1ccc(Br)cc1 2756054 MMENZDHNVDPIIS-SFQUDFHCSA-N 325.250 4.260 50 50 EIGA O=C(COc1cccc(Cl)c1)N/N=C\c1cccc2ccccc12 5007639 ROUPLPZRKUQIMG-MTJSOVHGSA-N 338.794 4.022 50 50 EIGA N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc(F)cc1 5050551 OXTUMENYPBZVOO-LFYBBSHMSA-N 346.155 4.381 50 50 EIGA C/C(=N/NC(=O)Nc1ccc(Cl)cc1)c1ccc(CC#N)s1 6373815 VYJZSLJGQHKWCO-GRSHGNNSSA-N 332.816 4.013 50 50 EIGA C/C(=N\NC(=O)Cc1cccs1)c1ccc(Cl)cc1Cl 12560985 LZKBRUPZQKJILP-RQZCQDPDSA-N 327.236 4.138 50 50 EIGA Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc3ccccc23)cc1 31858841 RGKAYKLWPDKVQT-UYRXBGFRSA-N 333.412 4.487 50 50 EIGA C[C@@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=N)C1(C#N)C#N 4482042 GLOOSSNFSAGMOC-NRFANRHFSA-N 336.398 4.379 50 50 EIGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc3ccccc3cc21 52179 QMDQXMYXTKFEKS-FQEVSTJZSA-N 328.371 4.067 50 50 EIGA Cc1cc(C(=O)N/N=C/C(Br)=C\c2ccccc2)c(C)o1 5023261 SQJMGMJPOZKFGT-FCJXZZIYSA-N 347.212 4.048 50 50 EIGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccc(C)c1 4751304 NBJZBERBQXPYDA-LJQANCHMSA-N 348.402 4.140 50 50 EIGA CN1C=C(C(F)(F)F)C=C/C1=C(/C#N)c1nc2ccccc2s1 134541 KVJJEOKPKKPPSI-ACCUITESSA-N 333.338 4.479 50 50 EIGA O=C(N/N=C/c1cccs1)c1cc(-c2cccc3ccccc23)[nH]n1 8683430 CVWSNUDLRYVHOE-UDWIEESQSA-N 346.415 4.055 50 50 EIGA C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(Cl)s1 4619403 YULXFHGZJRGKNY-XDHOZWIPSA-N 343.839 4.346 50 50 EIGA C#CCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC 4834017 OSLSYJUFKXXRTL-PTNGSMBKSA-N 346.411 4.381 50 50 EIGA Fc1c(F)c(F)c(C(Br)Br)c(F)c1F 95671140 SCGYCYOVWSMRBB-UHFFFAOYSA-N 339.883 4.171 50 50 EIGA CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)Nc2cccc(Cl)c2)cc1 126394 AXOFIDLMIXPKKW-STCDJXRXSA-N 343.858 4.414 50 50 EIGA CCCCC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 12403873 YVCBJNCNITZXQB-CZIZESTLSA-N 339.395 4.309 50 50 EIGA CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1 6138602 ZRUMDHSKAGXDOB-INIZCTEOSA-N 332.856 4.378 50 50 EIGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/C=C/c2ccccc2)c1 3031597 WLSZFINNADGVPL-QNUVFLEMSA-N 336.435 4.313 50 50 EIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2ccccc2c1 293392 SAOYLNAVCBAISK-IBGZPJMESA-N 344.414 4.291 50 50 EIGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 12364151 FFTFUFMVHUAHMD-QPEQYQDCSA-N 344.754 4.330 50 50 EIGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 5387321 SXAYMIALQQSPAM-GHXNOFRVSA-N 338.754 4.497 50 50 EIGA Cc1cccc(CN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 953095496 DRXHVHONABPTHW-UHFFFAOYSA-N 336.432 4.172 50 50 EIGA O=C(CCl)N[C@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 1875384694 USGTZMYZHWADNK-CQSZACIVSA-N 343.641 4.027 50 50 EIGA N#CSCCCCCOc1ccc(I)cc1 2880394 HHZAIJGEVZXVOQ-UHFFFAOYSA-N 347.221 4.055 50 50 EIGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1 1761880 YJAAWASSMFAFQU-XQNSMLJCSA-N 341.414 4.335 50 50 EIGA CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)o1 435836 YZCQLQNEHJKTQU-FMIVXFBMSA-N 346.180 4.179 50 50 EIGA CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21 15013050 PBQLXHOISSJOBZ-QINSGFPZSA-N 345.402 4.215 50 50 EIGA Cc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 15745791 WWCYYFXAHUKUIA-ZROIWOOFSA-N 341.208 4.303 50 50 EIGA O=C(CCl)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 263622222 PGTUSOAQOFDCGL-UHFFFAOYSA-N 340.732 4.311 50 50 EIGA CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1 81440 RWDJHBKGGMKKMS-GHRIWEEISA-N 343.386 4.009 50 50 EIGA Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 15745749 HXYIJMUVCUBYIZ-ZROIWOOFSA-N 341.208 4.303 50 50 EIGA COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 373904 DVPQIFZFVHBIMF-SDNWHVSQSA-N 331.375 4.031 50 50 EIGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc4ccccc4cc32)c1 4089797 XSCFZXIIVKWCMG-HXUWFJFHSA-N 328.371 4.067 50 50 EIGA C[C@@H](CCl)OP(=O)(O[C@H](C)CCl)O[C@H](C)CCl 5751326 KVMPUXDNESXNOH-HLTSFMKQSA-N 327.572 4.026 50 50 EIGA biogenic C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CC[C@H](c1ccccc1)C2 74941478 STNRKOCXVVIODB-AAEUAGOBSA-N 344.867 4.458 50 50 EIGA Cc1ncsc1-c1ccc([C@@H](C)NC(=O)CCl)c(Cl)c1 1875383919 HGTVMUWJQFYEHA-MRVPVSSYSA-N 329.252 4.188 50 50 EIGA COc1cc(/C(C#N)=C/c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 242574 QAHZAAJXISTMQN-KPKJPENVSA-N 344.754 4.330 50 50 EIGA COc1ccc([C@H](CCBr)NC(=O)OC(C)(C)C)cc1 35633060 SVVVYYWYCSWULE-ZDUSSCGKSA-N 344.249 4.046 50 50 EIGA C[C@@]12CCC[C@@H]1[C@H]1CCC3=C/C(=N/NC(N)=O)CC[C@]3(C)[C@@H]1CC2 257345780 ITUZGSVPOXPKFO-PAPLNBDTSA-N 329.488 4.364 50 50 EIGA BrCc1ccc(CBr)c(Br)c1 1621359 QOTLBTLQTHPRIW-UHFFFAOYSA-N 342.856 4.239 50 50 EIGA BrC/C(Br)=C/CCOCc1ccccc1 43763466 LPHXGFOOPZCXJW-GHXNOFRVSA-N 334.051 4.267 50 50 EIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(F)c1 2325809509 COGXSXCCZCDQIA-OEAKJJBVSA-N 348.377 4.169 50 50 EIGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/C=C/c1ccco1 2743964 WCRBIQPXLOUOHH-RQXNJNRTSA-N 328.755 4.043 50 50 EIGA C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O 18325099 LRXQVDGZFYPHJU-PXLXIMEGSA-N 330.387 4.213 50 50 EIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(Cl)cc1 4210148 SJKUHIDZZBRZGT-KEBDBYFISA-N 344.201 4.306 50 50 EIGA CC1(C)OB(c2ccc(CBr)c3ccccc23)OC1(C)C 169955829 YYPTWLZSCKVHCM-UHFFFAOYSA-N 347.061 4.034 50 50 EIGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(Cl)cc1Cl 245226552 BXDUFOVLBLHOAX-FTHHJUHYSA-N 325.239 4.270 50 50 EIGA CC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(N1)C1CCN2CC1 1399706 QAZGHRTZNXMOSS-MRXNPFEDSA-N 346.261 4.415 50 50 EIGA O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)c1cccs1 1848442314 LWAFIWDRGRPUMI-LBPRGKRZSA-N 343.231 4.439 50 50 EIGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 242449 UGDRVVRTNQLJBL-AYVTZFPOSA-N 349.217 4.054 50 50 EIGA CC(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1 3048893 NNLXNPXDVHOGCR-VHSXEESVSA-N 340.442 4.129 50 50 EIGA Cc1cccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1 498050 JNACVSVLGPCSLH-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA Cc1ccc2[nH]c(/C(C#N)=C\C=C\c3ccccc3[N+](=O)[O-])nc2c1 5028048 UGEMNKPLWILISX-QPTIXVFQSA-N 330.347 4.400 50 50 EIGA COc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1Br 16226529 PMWCQBBETFKODX-NVNXTCNLSA-N 339.192 4.394 50 50 EIGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(C)cc(C)cc2C)cc1 1875390403 BBQRUAAWAKQBIJ-WOJGMQOQSA-N 325.433 4.259 50 50 EIGA COc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1 4722943 FLNFBWWGAQNTNE-LUAWRHEFSA-N 330.746 4.033 50 50 EIGA COc1ccccc1/C=N/NC(=O)c1ccc(-c2ccccc2)cc1 246976 HIKWIIXFEZIARJ-PXLXIMEGSA-N 330.387 4.126 50 50 EIGA CC(C)(C)[Si](OCCCCl)(c1ccccc1)c1ccccc1 169834302 JHQCXFHNOIHZHS-UHFFFAOYSA-N 332.947 4.192 50 50 EIGA Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C1\CCCC[C@H]1C 252245 SJHGUYMURWPIGB-HFPIQRBFSA-N 349.862 4.049 50 50 EIGA CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccsc2)cc1 5726803 KQMFEUXQPPTSPN-XKOORFEASA-N 326.465 4.299 50 50 EIGA COC(=O)C1=C[C@H](CCCC(C)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1 169833754 HYFSHJNJZBAAHX-HOCLYGCPSA-N 340.536 4.255 50 50 EIGA O=C(CCl)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 1319921279 APMTWGYOAUPEET-OAHLLOKOSA-N 330.161 4.063 50 50 EIGA Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C1\CCCC[C@@H]1C 252250 SJHGUYMURWPIGB-UGVXJAHZSA-N 349.862 4.049 50 50 EIGA O=[N+]([O-])c1ccccc1S[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 141938032 KKOQEMZGKXRRQE-RBJBARPLSA-N 328.231 4.249 50 50 EIGA BrCCOc1ccc2ccccc2c1Br 2024190 SNHSKAIEWQYDBV-UHFFFAOYSA-N 330.019 4.376 50 50 EIGA Cc1cccc2c(C(=O)Cl)cc(-c3ccc4c(c3)OCO4)nc12 6318412 QFEBHWYELHWENL-UHFFFAOYSA-N 325.751 4.318 50 50 EIGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 295873 QVEMPKSEMXYMKT-HXUWFJFHSA-N 342.398 4.457 50 50 EIGA C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 4897743 BUOCFTRIHSSNIE-OEAKJJBVSA-N 329.403 4.266 50 50 EIGA O=C(CCl)N[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 1875364962 ZLXXKBQNZLPEAT-OAHLLOKOSA-N 345.723 4.289 50 50 EIGA C=CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 2472869 KACMZCRXMTUSFK-LLVKDONJSA-N 339.247 4.251 50 50 EIGA CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1 2894889 UCCFFJXPDZBUJF-RGVLZGJSSA-N 330.815 4.107 50 50 EIGA C/C(=C\CC[C@H](C)OS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C 169832249 DDZZSJOGKIZDNK-UELRPHRMSA-N 336.570 4.099 50 50 EIGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 293305 JFIKNXQKJNLYRE-GLEZIHRCSA-N 349.217 4.054 50 50 EIGA CSc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 29764198 NBVGJQMAIHVUIM-YBEGLDIGSA-N 349.864 4.400 50 50 EIGA CCO[P@@](=O)(/C(C#N)=C(\O)Cc1ccccc1)c1ccccc1 101446657 BOXPDSJBDXAMCL-WTXCJRJRSA-N 327.320 4.162 50 50 EIGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(O)cc1 440669 RTCNZOWMYIFBHY-RGVLZGJSSA-N 340.766 4.070 50 50 EIGA N#CC(C#N)=Cc1ccc(OCc2ccc(Br)cc2)cc1 395968 YPLRYANILUIGPD-UHFFFAOYSA-N 339.192 4.459 50 50 EIGA N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@@H]1c1cccc(Cl)c1 61420 NKLORJNDXNWBJJ-QGZVFWFLSA-N 348.789 4.417 50 50 EIGA CC1CCC(=NNC(=O)COc2ccc(-c3ccccc3)cc2)CC1 4372551 GOOXSBWCZPPJPX-UHFFFAOYSA-N 336.435 4.415 50 50 EIGA C[C@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=N)C1(C#N)C#N 5577122 GLOOSSNFSAGMOC-OAQYLSRUSA-N 336.398 4.379 50 50 EIGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 245226666 HOJLQUZVRZMINR-ZUMJGQHTSA-N 347.418 4.095 50 50 EIGA O=C(CBr)c1cc(Cl)c(OC(F)F)c(Cl)c1 263624318 PHKBXLDDPVBOIA-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccccc1 445274 ICLVYVHLMCOWNJ-CSKARUKUSA-N 333.210 4.056 50 50 EIGA CC(/C=C/c1ccco1)=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 4955618 ACRISYNXVQQWFK-YTQGZGHASA-N 346.814 4.134 50 50 EIGA C[C@@H](Br)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 152389 XFNFXCLXYDJRGU-RXMQYKEDSA-N 330.531 4.081 50 50 EIGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CC[C@@H](c1ccccc1)C2 74941477 STNRKOCXVVIODB-DGCLKSJQSA-N 344.867 4.458 50 50 EIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 298763 MXGHJGWMEOGEGG-OEAKJJBVSA-N 348.377 4.169 50 50 EIGA CC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5061103 IUCVSKOYLIPOBH-XTCQQWIJSA-N 340.335 4.103 50 50 EIGA C[Si](C)(C)O[Si](CCl)(O[Si](C)(C)C)O[Si](C)(C)C 196952202 GMDPIHSENOONRD-UHFFFAOYSA-N 345.136 4.258 50 50 EIGA N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1cccc(F)c1 4739845 MSRAMOLYJBOTER-VBKFSLOCSA-N 332.334 4.379 50 50 EIGA O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1C[C@H]1c1ccccc1 5004980 USJAPFRTULEOHI-RDFRODCOSA-N 333.218 4.247 50 50 EIGA CCc1ccc(/C(C)=N/NC(=O)c2ccc(-n3cccc3)cc2)cc1 5877435 COPAYXUZGLNKKZ-CJLVFECKSA-N 331.419 4.194 50 50 EIGA BrCc1cc(Br)cc(Br)c1 159464 PWTFRUXTAFBWBW-UHFFFAOYSA-N 328.829 4.107 50 50 EIGA in-vitro N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(-c2ccccc2)cc1 241967 LYRIBNDVGDLKNI-OAQYLSRUSA-N 339.398 4.154 50 50 EIGA N#Cc1c(NC(=O)CCCl)sc2c1CC[C@H](c1ccccc1)C2 74941599 FKLTYYWDUOMGSP-ZDUSSCGKSA-N 344.867 4.460 50 50 EIGA CN[C@@H](C)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1 100273420 UNCAUXRWGTXTHK-PGRDOPGGSA-N 333.415 4.469 50 50 EIGA N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1cccc(Cl)c1 61419 NKLORJNDXNWBJJ-KRWDZBQOSA-N 348.789 4.417 50 50 EIGA O=C(Cl)c1ccccc1OCc1cccc(Br)c1 40451453 RTTJCHUWDZRXGK-UHFFFAOYSA-N 325.589 4.407 50 50 EIGA O=C(CBr)c1cc(Cl)c(Cl)cc1OC(F)F 263624626 SBXJCKYABFIZPB-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA CCP(=O)(CC)CCP(=O)(c1ccccc1)c1ccccc1 3151940 XJVWPHNLAMIJBT-UHFFFAOYSA-N 334.336 4.403 50 50 EIGA CC(C)(C)c1ccc(/C=N/NC(=O)Cc2cc3ccccc3[nH]2)cc1 23549803 NHYQLKUTIQGAMG-HYARGMPZSA-N 333.435 4.158 50 50 EIGA O=C(CBr)c1ccc(OC(F)F)c(Cl)c1Cl 263624146 NUVPMDWHEVMYBM-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)o1 187008 AGCKFWVOABAYBZ-PKNBQFBNSA-N 346.180 4.179 50 50 EIGA Cc1ccc2cc(/C=N/NC(=O)c3ccc(F)cc3)c(Cl)nc2c1 256292 OZYNTIYJGGTVCX-UFFVCSGVSA-N 341.773 4.100 50 50 EIGA CC(=NNC(=O)CSCc1ccccc1)c1ccc(Cl)cc1 239175754 QPFCDJISNXUMCZ-UHFFFAOYSA-N 332.856 4.114 50 50 EIGA O=C(CBr)c1ccc(Cl)c(Cl)c1OC(F)F 263625028 WCNOBQACNSJAKK-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1cccnc1 296408 YXWBTLFGIQSVKA-QGZVFWFLSA-N 333.778 4.106 50 50 EIGA c1ccc([P+](C[C@H]2CCCO2)(c2ccccc2)c2ccccc2)cc1 101011014 GNPCKTHHVBOMEB-HXUWFJFHSA-N 347.418 4.160 50 50 EIGA COc1ccc(OCP(=O)(c2ccccc2)c2ccccc2)cc1 101093115 WPOKRHNWBHEBQP-UHFFFAOYSA-N 338.343 4.046 50 50 EIGA CC(C)(C)OC(=O)n1cc(CCl)c2cc(Br)cnc21 72193736 SHRIZQSBVKMZHE-UHFFFAOYSA-N 345.624 4.321 50 50 EIGA in-vitro CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 6138599 PAYBIHXAGZQYSL-INIZCTEOSA-N 332.856 4.378 50 50 EIGA CCCCN[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101017724 UKVWXIOAJJZDMN-UHFFFAOYSA-N 334.423 4.285 50 50 EIGA COc1ccc2[nH]c(/C(C#N)=C\C=C\c3ccccc3[N+](=O)[O-])nc2c1 4754815 RDUXIPVSSCTYAU-XTYQBWKXSA-N 346.346 4.100 50 50 EIGA C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 55421950 ALFUPAIFYPIMAR-PXLXIMEGSA-N 330.387 4.213 50 50 EIGA N#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@@H]1c1cccnc1 377774 DICZNXNAHHHRMT-FQEVSTJZSA-N 340.386 4.043 50 50 EIGA CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(C2CCCCC2)N1 528110 JFSYRWZJDLCENG-UHFFFAOYSA-N 339.283 4.229 50 50 EIGA O=C/C(=C\Nc1ccc(Cl)cn1)c1nc2cc(Cl)ccc2o1 5582972 PSKHPGPCXWEARR-RMKNXTFCSA-N 334.162 4.182 50 50 EIGA aggregator N#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@H]1c1cccnc1 377779 DICZNXNAHHHRMT-HXUWFJFHSA-N 340.386 4.043 50 50 EIGA CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@H]2c1ccncc1 5261180 SZWWPPUCQRKPJP-FQEVSTJZSA-N 349.434 4.128 50 50 EIGA COc1ccc([C@H]2C(C#N)=C(S)OC3=C2C(=O)CC(C)(C)C3)cc1 6591126 BUWLWCCQOSIKBP-INIZCTEOSA-N 341.432 4.117 50 50 EIGA CC[C@H](Nc1ccc(Cl)cc1)C(=O)NN=C(C)c1ccc(F)cc1 245247174 QYIPRQACQDZACR-KRWDZBQOSA-N 347.821 4.210 50 50 EIGA CCO[C@@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@H]1Cl 252586785 SLTXLYZUZLOALQ-WCTZXXKLSA-N 334.634 4.334 50 50 EIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1C1CCCCC1 115245 UTMRMZKAQQUIPH-UZLBHIALSA-N 348.446 4.308 50 50 EIGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/C=C/c1ccccc1 2839192 WGMDOIHCWLJGFS-NIJHCFRLSA-N 344.414 4.423 50 50 EIGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccc(C(C)C)cc1 8836179 NWPHHVAWTMOEAC-LPYMAVHISA-N 346.434 4.272 50 50 EIGA Cc1ccc(/C=N/NC(=O)c2sc3cc(F)ccc3c2Cl)o1 290536 UFHZINJWCUVYDS-CNHKJKLMSA-N 336.775 4.359 50 50 EIGA CC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc21 333885 WBOSXUZOTDUZFB-UHFFFAOYSA-N 326.783 4.205 50 50 EIGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)s1 5006286 UMTDURBIDLWSKX-RQZCQDPDSA-N 327.236 4.138 50 50 EIGA Cc1ccc(C2=NN(C(=O)CCl)[C@@H](c3ccccc3)C2)cc1C 36015865 YGLSSLAJQFKIQS-GOSISDBHSA-N 326.827 4.220 50 50 EIGA CC1=C(C#N)C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C#N)=C(C)N1 25575236 QKOAQMNDJURTGW-UHFFFAOYSA-N 346.346 4.137 50 50 EIGA Fc1ccc(CBr)c(Br)c1Br 263625089 WQGRIWZMUYBFSI-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1cccc2ccccc12 296380 LSXFBTWHXFMMDU-LJQANCHMSA-N 348.789 4.417 50 50 EIGA N#C/C(=C/c1cccc(F)c1)C(=O)Nc1cccc(Br)c1 15745716 RHJLNQHONCCUSP-GHXNOFRVSA-N 345.171 4.134 50 50 EIGA O[Si@@](CCCN1CCCCC1)(c1ccccc1)C1CCCCC1 1857524799 QTBCATBNRIYMPB-QHCPKHFHSA-N 331.576 4.042 50 50 EIGA in-vitro CC(C)(C)c1[nH]nc2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 4473406 JNNSRXJIAHBURY-INIZCTEOSA-N 344.418 4.079 50 50 EIGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl 242232 GERBWXQAWZJDFQ-RTHLEPHNSA-N 349.217 4.054 50 50 EIGA COc1ccc(C(=O)N/N=C/c2cccc(-c3ccccc3)c2)cc1 297469 VPLVLCWBJCHTRW-PXLXIMEGSA-N 330.387 4.126 50 50 EIGA BrC[C@@H](Br)c1ccc(Br)cc1 2147170 NRUIEVHCKHZAHT-MRVPVSSYSA-N 342.856 4.280 50 50 EIGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1 299032 XZMCXHFEFDETJE-UHFFFAOYSA-N 346.430 4.212 50 50 EIGA CCc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] 4955588 PDCQJKVZJRAYDY-DHDCSXOGSA-N 332.363 4.406 50 50 EIGA COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCl 2584860 ILLBQLIOJHFMCD-UHFFFAOYSA-N 344.219 4.032 50 50 EIGA C/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(-c2ccccc2)cc1 16976869 OFHBZGMPFLLZTF-HYARGMPZSA-N 344.418 4.108 50 50 EIGA COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c2ccccc12 65382 KOCKHNLAQRMUTN-CIAFOILYSA-N 338.794 4.266 50 50 EIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 43382 GLYJDLZIMMXLIQ-OEAKJJBVSA-N 348.377 4.169 50 50 EIGA CCOc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1 5059241 XUPABQQFPKXZNG-KAMYIIQDSA-N 331.375 4.112 50 50 EIGA Cc1cc(C)c2c3c(sc2n1)C1(CCCCC1)C(C#N)=C(N)O3 377241 YNLXYQBTTCFNLH-UHFFFAOYSA-N 325.437 4.201 50 50 EIGA CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 4852370 JXAGEERCTVZLGJ-XFXZXTDPSA-N 335.281 4.435 50 50 EIGA N#C/C(=C\c1ccc([N+](=O)[O-])o1)Sc1nc2ccccc2s1 2872440 LACUXLOFRLSTJR-JXMROGBWSA-N 329.362 4.454 50 50 EIGA N#C/C(=C\c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 33808228 OMJDPQGMBJGAFN-XNTDXEJSSA-N 337.322 4.044 50 50 EIGA O=C(CCl)N[C@@H](c1ccccc1)c1ccccc1OC(F)(F)F 1875375012 NYSBEAXUSYJMNK-HNNXBMFYSA-N 343.732 4.030 50 50 EIGA CC(C)Cc1cc(C(=O)N/N=C/C=C/c2ccco2)c2ccccc2n1 2738058 TWQMBAXFWPEOJI-KIFSKBGMSA-N 347.418 4.455 50 50 EIGA Cn1cc([C@@H]2c3ccccc3C(=O)N2CCCCl)c2ccccc21 334163103 LPDVIPCIYSHQPE-IBGZPJMESA-N 338.838 4.352 50 50 EIGA Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)CBr 161992 MDZFMZALZSZQSM-UHFFFAOYSA-N 330.634 4.350 50 50 EIGA O=C(N/N=C\c1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1 33294832 FQIKLFBNXORUSW-UUYOSTAYSA-N 334.806 4.356 50 50 EIGA Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 493652 IIKIBQGDKDJGEW-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc2cc[nH]c12 32565758 ILHFDCVMRICFTJ-UKWGHVSLSA-N 332.190 4.239 50 50 EIGA N#CC(C#N)=C1c2ccccc2[C@H]2C(=C(C#N)C#N)c3ccccc3[C@@H]12 100660291 VRRKGMFDGRAQHR-VXKWHMMOSA-N 330.350 4.183 50 50 EIGA N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 2876043 UDEBASSUIWIXNK-JYRVWZFOSA-N 329.153 4.421 50 50 EIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCCCC1 510975 JXCZMRPGHUSSCI-PXLXIMEGSA-N 336.435 4.296 50 50 EIGA N#CC(NC(=O)c1ccc(OCc2ccccc2)cc1)=C(Cl)Cl 1857799728 WVOZLEARJGSXJN-UHFFFAOYSA-N 347.201 4.166 50 50 EIGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1 296182 QMOAGEFZQCHUSG-IBGZPJMESA-N 328.371 4.067 50 50 EIGA C[C@@H]1C[C@@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccccc3)nn12 1857800743 SEWJXPQYIBIJQI-KOLCDFICSA-N 333.222 4.391 50 50 EIGA S=C=Nc1nn(Cc2ccccc2Cl)cc1Br 2536546 ZDHYRDZNWFIUSF-UHFFFAOYSA-N 328.622 4.082 50 50 EIGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 4751320 LWYDJIUIUMTTCU-GOSISDBHSA-N 334.350 4.140 50 50 EIGA O=C(CBr)c1cc(Cl)c(OC(F)F)cc1Cl 263623506 IBYOLXOWQYTORE-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 17072477 LCWPQSNKMVTOFY-UVTDQMKNSA-N 348.793 4.276 50 50 EIGA CC(C)(C)[Si](C)(C)Oc1ccc(O)c(C=O)c1Br 169807337 HCYCLKLRRFOJTQ-UHFFFAOYSA-N 331.282 4.351 50 50 EIGA Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccncc1 6429549 DRFCAAALSMNZPO-PDGQHHTCSA-N 344.374 4.462 50 50 EIGA CC(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 38783 AUFNUUDINXWMJU-GOSISDBHSA-N 336.435 4.261 50 50 EIGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(Cl)cc1Cl 5031302 NYPSSDUQAQJVFK-GIJQJNRQSA-N 325.195 4.357 50 50 EIGA C/C(=N\NC(=O)CCc1ccccc1)c1ccc(Cl)cc1Cl 5007679 MVIITUDIBAHCKD-UDWIEESQSA-N 335.234 4.466 50 50 EIGA CCc1ccc(/C=N/NC(=O)c2csc3c2CC[C@H](C)C3)s1 2785217 AINOGPXKOKTXMK-KECVIQKOSA-N 332.494 4.261 50 50 EIGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1 4372579 KRNMYZPTTZLGCW-BXDFRRGMSA-N 344.414 4.271 50 50 EIGA N#C/C(=C\c1cc2c(cc1Br)OCO2)c1cccc(F)c1 4807481 OMOZOXACZYUPLZ-UUILKARUSA-N 346.155 4.381 50 50 EIGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccc2ccccc2c1O 6244023 BOUYLCKIHZKZML-UFFVCSGVSA-N 342.757 4.102 50 50 EIGA COc1cccc(OC)c1/C=C(\C#N)c1nc(-c2ccncc2)cs1 179026889 CWSMOQLBLWUPRQ-GXDHUFHOSA-N 349.415 4.286 50 50 EIGA O=C(CCCC[C@H]1CCSS1)Nc1cc(-c2cccnc2)n[nH]1 133061549 SPVIFJRNJAYGIQ-ZDUSSCGKSA-N 348.497 4.124 50 50 EIGA Cc1ccc(/C=N/NC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1 372793 FLZHHPJICOHNBQ-KEBDBYFISA-N 328.412 4.304 50 50 EIGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccccc1Br 135100 DAMOARAIBDTARW-MDWFKHSNSA-N 343.224 4.268 50 50 EIGA C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@H]2CC[C@H]1C2 252452796 DRNISQFRIZSJKT-DHVOUNSSSA-N 348.874 4.344 50 50 EIGA O=C(c1ccc(F)c2ccccc12)C(Br)Br 261506693 ACBXWNBWPCRTIN-UHFFFAOYSA-N 345.993 4.278 50 50 EIGA C[C@H](C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2325809603 NFYWKFWBQAWPLG-QGZVFWFLSA-N 334.355 4.272 50 50 EIGA CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl 5923632 SOUGWDPPRBKJEX-AWEZNQCLSA-N 336.646 4.008 50 50 EIGA biogenic,in-vitro CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 295871 QVEMPKSEMXYMKT-FQEVSTJZSA-N 342.398 4.457 50 50 EIGA Cc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)cc1 1401023 PTDLGMWJNZPMOD-IBGZPJMESA-N 330.387 4.310 50 50 EIGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1cccc2ccccc12 296378 LSXFBTWHXFMMDU-IBGZPJMESA-N 348.789 4.417 50 50 EIGA N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)NC1CCCCC1 441994 IJSPGEBQYWMFBM-IZZDOVSWSA-N 339.222 4.055 50 50 EIGA aggregator Cc1ccccc1C(=O)N/N=C/C=C1\N(C)c2ccccc2C1(C)C 13303647 GKMACJLGCYUOAM-JWZHWXDPSA-N 333.435 4.022 50 50 EIGA CC(/C=N\NC(=O)c1ccc(Br)cc1)=C\c1ccccc1 32565762 LJOZANQOUBSLBE-KCVQHHRGSA-N 343.224 4.268 50 50 EIGA C[C@@H](C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2325809602 NFYWKFWBQAWPLG-KRWDZBQOSA-N 334.355 4.272 50 50 EIGA O[Si](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 169746883 ZNSZQJHTFRQUPD-UHFFFAOYSA-N 349.566 4.181 50 50 EIGA in-vitro CCN1/C(=C/C2=CC(=C(C#N)C#N)CC2)C=Cc2cc(OC)ccc21 685944791 YENMHGIHNBZHGD-YBFXNURJSA-N 329.403 4.496 50 50 EIGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1 4372578 KRNMYZPTTZLGCW-CSUZIONRSA-N 344.414 4.271 50 50 EIGA COc1cc(Cl)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 5028376 LYNNMLWWUZCXEI-KPKJPENVSA-N 339.782 4.298 50 50 EIGA N#C/C(=C/c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 16319803 ZDUQMMTXDSRBLJ-YFHOEESVSA-N 335.182 4.483 50 50 EIGA COc1cccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1 524113 MPMDAIYESJCPFP-VXLYETTFSA-N 344.823 4.327 50 50 EIGA CCOC(=O)c1c(NC(=O)CCCCCl)sc2c1CCCC2 2026677 URPMKSZCMCLNCD-UHFFFAOYSA-N 343.876 4.151 50 50 EIGA BrCc1cc(Br)cc(CBr)c1 3123645 FTJLVLCWBYPFGX-UHFFFAOYSA-N 342.856 4.239 50 50 EIGA N#C/C(=C/c1ccc(I)o1)c1ccc(F)cc1 5090953 FOECQTNANMDMIP-YFHOEESVSA-N 339.107 4.087 50 50 EIGA COc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccc(C)cc2)cc1 1225962 QGCFVXRUHTXOLW-XTQSDGFTSA-N 344.414 4.186 50 50 EIGA CC[C@@H](Br)C(=O)N(C)c1cccc(Cl)c1Cl 2141588 PVFHOZHUYNAPAZ-SSDOTTSWSA-N 325.033 4.130 50 50 EIGA CC1=C(C)C(C=O)=C/C(=C/C=C2/N(C)c3ccccc3C2(C)C)C1=O 135868163 PDIQUVDUDKEUMK-YPWBLNBHSA-N 333.431 4.269 50 50 EIGA CCCN(CCC)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 2831590 YCYUSMWNBSHCKI-OQKWZONESA-N 337.467 4.006 50 50 EIGA CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@@H]2c1ccncc1 5261177 SZWWPPUCQRKPJP-HXUWFJFHSA-N 349.434 4.128 50 50 EIGA O=C(CCl)N[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 1875384693 USGTZMYZHWADNK-AWEZNQCLSA-N 343.641 4.027 50 50 EIGA O=C(N/N=C/c1cccc(F)c1)c1sc2ccccc2c1Cl 5685475 CYCALCYCNYDHFZ-DJKKODMXSA-N 332.787 4.458 50 50 EIGA Cc1cc(C)c(/C=N\NC(=O)c2cccc(Br)c2)c(C)c1 16310803 NBDOUSGJWUIJHU-GRSHGNNSSA-N 345.240 4.138 50 50 EIGA COc1ccc(C(=O)[C@H](Br)c2ccc(OC)cc2)cc1 1593678 BJCIJTYQFAOPCE-OAHLLOKOSA-N 335.197 4.023 50 50 EIGA Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c(C)c1 5102381 SMGXWPZXZWPOMT-ZSOIEALJSA-N 326.783 4.208 50 50 EIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1F 8106138 PSUJWZNTZPRURZ-HYARGMPZSA-N 334.350 4.382 50 50 EIGA C[C@H](c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6982310 IAIFBENZKXFKGB-CXAGYDPISA-N 342.402 4.050 50 50 EIGA CC(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 38782 AUFNUUDINXWMJU-SFHVURJKSA-N 336.435 4.261 50 50 EIGA CC(C)c1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 35653629 UNANESUVAKWBCL-OMBDHMDGSA-N 344.842 4.381 50 50 EIGA CCCCCCCCCC[C@H](Br)[C@@H]1OC[C@@H](CO)O1 216173087 OMWWOGKQMCCMAF-QLFBSQMISA-N 337.298 4.015 50 50 EIGA N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 495950 WPTFSSJIEUABBQ-LFYBBSHMSA-N 328.711 4.041 50 50 EIGA FC(F)(F)Oc1ccc(Br)c(CBr)c1 16125775 TVBXKZSWLSZTRG-UHFFFAOYSA-N 333.929 4.243 50 50 EIGA Cc1c(CBr)ccc2c1cc(C#N)n2C(=O)OC(C)(C)C 382684082 DAHSGUJQZOMCBI-UHFFFAOYSA-N 349.228 4.500 50 50 EIGA O=C(CBr)c1c(Cl)cc(Cl)cc1OC(F)F 263625430 ZXLITDVMWVVLFE-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA CC(C)c1ccc(/C=N/NC(=O)[C@H](C)Nc2cccc(Cl)c2)cc1 126399 AXOFIDLMIXPKKW-OMBDHMDGSA-N 343.858 4.414 50 50 EIGA C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc2ccccc2c1 16667867 ZEVOABKLJAIUJU-KQWNVCNZSA-N 331.419 4.101 50 50 EIGA CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccco1 446061 LVSWWJMLISBMPO-FOWTUZBSSA-N 346.386 4.055 50 50 EIGA C[C@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 8553137 VNMKBDSXUAAAFZ-JOCHJYFZSA-N 336.398 4.174 50 50 EIGA CCCC[Sn](CCCC)(N=C=S)N=C=S 170161643 JVLGWEJONYVDMO-UHFFFAOYSA-N 349.113 4.234 50 50 EIGA O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)c1cccs1 1848442313 LWAFIWDRGRPUMI-GFCCVEGCSA-N 343.231 4.439 50 50 EIGA C[C@@](Cc1c(Cl)cccc1Cl)(NC(=O)CCl)C(F)(F)F 1875377490 FVHGSPSSJJFSCH-NSHDSACASA-N 348.579 4.212 50 50 EIGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccncc1 4450446 BBQZMYJDPSZCFP-ATVHPVEESA-N 339.402 4.430 50 50 EIGA O=C(Cl)c1cc(Br)ccc1OCc1ccccc1 40451440 PLMYJXRFBVUZFL-UHFFFAOYSA-N 325.589 4.407 50 50 EIGA CC1=C(C#N)C(=C(C#N)C#N)O[C@]1(C)c1ccc(Cl)c(Cl)c1 73159033 RSWZFAPYKOARNG-INIZCTEOSA-N 330.174 4.380 50 50 EIGA in-vitro C[C@@H]1CC[C@@H](C)P1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)OC1=O 100009586 OQHMFJKKVZGWDC-DDHJBXDOSA-N 326.313 4.387 50 50 EIGA COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1 285793 QRMCWKAQTCQJPD-PXLXIMEGSA-N 330.387 4.126 50 50 EIGA FC(F)(F)Oc1cc(Br)cc(CBr)c1 16159073 QYRNFJCHQHPVTI-UHFFFAOYSA-N 333.929 4.243 50 50 EIGA CC(=O)[C@@H](Br)[C@H](Br)c1ccc(Cl)cc1 3048894 NNLXNPXDVHOGCR-NXEZZACHSA-N 340.442 4.129 50 50 EIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1 407989 DHCXJWRKQFKRLD-FQEVSTJZSA-N 342.398 4.457 50 50 EIGA N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 8744538 VGLHJKUUMJYZHZ-FMIVXFBMSA-N 339.807 4.495 50 50 EIGA Cc1ccc2[nH]c(C)c(CC(=O)N/N=C3\C=C(O)CC(C)(C)C3)c2c1 100437708 XNJOQKMOISWPKS-HYARGMPZSA-N 339.439 4.061 50 50 EIGA Cc1onc(-c2ccc(Br)cc2)c1CBr 86012893 FXVWFKQHEITJQE-UHFFFAOYSA-N 331.007 4.307 50 50 EIGA C[C@@H](Br)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 235086309 BOBNMRYWIPNLLT-RXMQYKEDSA-N 330.531 4.081 50 50 EIGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 8905125 RDEDDJARTZDPCD-HYARGMPZSA-N 346.434 4.039 50 50 EIGA O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1C[C@@H]1c1ccccc1 438450 USJAPFRTULEOHI-CAVOBDPNSA-N 333.218 4.247 50 50 EIGA C[C@@H](c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6982309 IAIFBENZKXFKGB-SUMWQHHRSA-N 342.402 4.050 50 50 EIGA Brc1cccc(C(Br)Br)c1 2170837 OEPBSLYAWOMXFD-UHFFFAOYSA-N 328.829 4.238 50 50 EIGA CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1F 2906853 YVHWOULHLOGZGM-WOJGMQOQSA-N 343.240 4.399 50 50 EIGA CC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5061104 IUCVSKOYLIPOBH-GVIGZQTCSA-N 340.335 4.103 50 50 EIGA C/C=C1/C[N@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 252441237 LQDGJFHWZHMWLV-VPADDMOKSA-O 349.498 4.172 50 50 EIGA Cc1ccsc1[C@@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 80900 XGSXYYSIJLTWRZ-CQSZACIVSA-N 340.473 4.329 50 50 EIGA Oc1cc(CCl)nc2c(-c3ccccc3)c(Cc3ccccc3)nn12 334160338 BHHMRMWWBPIKRU-UHFFFAOYSA-N 349.821 4.432 50 50 EIGA N#C/C(=C\c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 609849 FKRQJUDWGOSMAC-XNTDXEJSSA-N 337.322 4.044 50 50 EIGA Cc1c([C@H]2c3ccccc3C(=O)N2CCCl)c2ccccc2n1C 334163430 RTCKWNKRRXHBFM-LJQANCHMSA-N 338.838 4.271 50 50 EIGA O=C(COc1cccc2ccccc12)N/N=C/C=C/c1ccccc1 1956539 UAEARJXPLUNAQI-AWFLEDEYSA-N 330.387 4.034 50 50 EIGA O=C(N/N=C/c1cccc(OC(F)F)c1)Oc1ccc(Cl)cc1 5714204 OQWDYUIREKGWIU-DJKKODMXSA-N 340.713 4.064 50 50 EIGA COC(=O)[C@]12C(=O)CCC[C@H]1CCC[C@@H]2O[Si](C)(C)C(C)(C)C 169835233 OXLHOZSHYRXYSJ-YEWWUXTCSA-N 340.536 4.089 50 50 EIGA N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(O)c2ccccc2n1 3945059 HCEDGDKDWREFEK-FMIVXFBMSA-N 341.292 4.418 50 50 EIGA CCOC(=O)N[C@H](Sc1ccc(Cl)cc1)C(Cl)Cl 3123009 KSTYMBHSZMGSCB-SNVBAGLBSA-N 328.648 4.308 50 50 EIGA OB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12 169745544 ASQXKNXJNDLXQV-UHFFFAOYSA-N 348.210 4.493 50 50 EIGA in-vitro O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccccc1 529453 QSBWIIIKFXJPMZ-XQNSMLJCSA-N 345.446 4.061 50 50 EIGA O=C1C(Cl)=C(Cl)[C@]2(Cl)C(Cl)(Cl)[C@@H](Cl)[C@]12Cl 3074755 OJLAPVLLQZSRCI-KVQBGUIXSA-N 349.255 4.008 50 50 EIGA BrCc1cccc(Br)c1CBr 59061298 ASZRHSLOVXUBHJ-UHFFFAOYSA-N 342.856 4.239 50 50 EIGA in-vitro O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3087228 OPCZJIRBMGFPSE-KGENOOAVSA-N 345.358 4.026 50 50 EIGA Cc1ccc2[nH]c(/C(C#N)=C/c3c[nH]nc3-c3ccccc3)nc2c1 4457912 SJDVNUIXNJIUIO-XNTDXEJSSA-N 325.375 4.326 50 50 EIGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)cc1 9088396 JIKCIAAMDUBZRX-PXLXIMEGSA-N 346.434 4.102 50 50 EIGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CC[C@H](c1ccccc1)C2 74941481 STNRKOCXVVIODB-YPMHNXCESA-N 344.867 4.458 50 50 EIGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc2ccccc2c1 3059770 ONZLGTKVBVMNPA-BWLYTCHZSA-N 344.414 4.424 50 50 EIGA CCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1 5126190 DANAGLMFEFHEAJ-HSRIELGNSA-N 344.418 4.068 50 50 EIGA C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 5092370 KXXQYBCIELRTGP-JUICJWRVSA-N 347.256 4.051 50 50 EIGA CC(C)OC(=O)CCCCP(=O)(c1ccccc1)c1ccccc1 64859351 NUSCAFULQNHZJJ-UHFFFAOYSA-N 344.391 4.122 50 50 EIGA in-vitro O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 502680 ACNQINGHIQLWTM-PXLXIMEGSA-N 330.387 4.030 50 50 EIGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/C=C/c1ccccc1 4956227 WGMDOIHCWLJGFS-QXBNYJNOSA-N 344.414 4.423 50 50 EIGA Cc1ccc2cc(/C=N/NC(=O)c3cccs3)c(Cl)nc2c1 5795864 WYXVCPATKCUYKC-GIJQJNRQSA-N 329.812 4.022 50 50 EIGA C[C@]12CCC[C@@H]1[C@H]1CCC3=C/C(=N/NC(N)=O)CC[C@]3(C)[C@@H]1CC2 257345779 ITUZGSVPOXPKFO-JJURFVLWSA-N 329.488 4.364 50 50 EIGA CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)c(Cl)c1 1848442252 BFJUEAYIESIVGL-VXLYETTFSA-N 344.242 4.004 50 50 EIGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(Cl)cc1 580529 SDTUOSMOXVUCMY-CIAFOILYSA-N 338.794 4.022 50 50 EIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl 300474 AEALUGCYHFKSGQ-QGMBQPNBSA-N 327.598 4.411 50 50 EIGA Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 498040 GJSLWNDYZAEIRM-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA O=C(CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 163520 VCBRYYAFVLDIHK-UHFFFAOYSA-N 342.609 4.402 50 50 EIGA in-vitro CC(=O)Nc1ccc(SSc2ccc(NC(C)=O)cc2)cc1 1631187 XDZOVXPAGVIXBS-UHFFFAOYSA-N 332.450 4.403 50 50 EIGA CCCCOc1ccc(C(=O)NN=Cc2ccc3c(c2)CCC3)cc1 4582451 ILIWILCLJUDTNE-UHFFFAOYSA-N 336.435 4.118 50 50 EIGA N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(C#N)cc1 134317 WZYNKTFTGOFYDA-SFQUDFHCSA-N 339.354 4.364 50 50 EIGA CC1=CS/C(=C(/C#N)C(=O)NCc2ccccc2)N1c1ccccc1 311954 WAIFAUAWRYHHFX-ZZEZOPTASA-N 347.443 4.153 50 50 EIGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(F)cccc2Cl)cc1 150966 AHXKMMDRHURMKH-UKTHLTGXSA-N 335.787 4.126 50 50 EIGA CC[C@@H](Nc1ccc(Cl)cc1)C(=O)NN=C(C)c1ccc(F)cc1 245247176 QYIPRQACQDZACR-QGZVFWFLSA-N 347.821 4.210 50 50 EIGA CC(=O)Nc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1 410031 RWKKNGQDXONRNH-GDNBJRDFSA-N 341.208 4.472 50 50 EIGA CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1 6138597 ZRUMDHSKAGXDOB-MRXNPFEDSA-N 332.856 4.378 50 50 EIGA O=c1c2ccccc2nc(CCl)n1-c1cccc(C(F)(F)F)c1 76575 WIBYDDUCFSUCFE-UHFFFAOYSA-N 338.716 4.143 50 50 EIGA C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(Cl)cc1 2857595 FSOLQZGNUHSRDE-GDNBJRDFSA-N 338.750 4.324 50 50 EIGA Cc1cc(NNC(=O)c2ccccc2Cl)c2cccc(C)c2n1 273611 HSCLQIXUHDMPGV-UHFFFAOYSA-N 325.799 4.262 50 50 EIGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(Cl)cc1Cl 252320583 BXDUFOVLBLHOAX-MEHHHPJBSA-N 325.239 4.270 50 50 EIGA N#CC1=C(c2ccc(Oc3ccc(Cl)c(F)c3)cc2)NC(=O)CC1 1392772 CGYVNEXGIPFRFX-UHFFFAOYSA-N 342.757 4.416 50 50 EIGA N#C/C(=C/c1ccc(N2CCCC2)cc1F)c1ccc(C(=O)O)cc1 4811021 PQHVTRWUZBETAN-BOPFTXTBSA-N 336.366 4.188 50 50 EIGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 242455 UGDRVVRTNQLJBL-VXJOIVPMSA-N 349.217 4.054 50 50 EIGA N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@@H]1c1ccccc1Cl 403743 HMGADZFFSFELRQ-HNNXBMFYSA-N 339.807 4.144 50 50 EIGA CC(C)OC(=O)c1c(NC(=O)CCCCl)sc2c1CCCC2 2027902 DYJIJHGSTXBYRF-UHFFFAOYSA-N 343.876 4.150 50 50 EIGA C/C(=N\NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)c(Cl)c1 19834009 KVBYDQHDPRHUQH-ZVBGSRNCSA-N 347.205 4.024 50 50 EIGA CC[C@H](Br)C(=O)N(Cc1ccccc1)c1ccccc1 38356395 DVAAHBQCAZCHOP-INIZCTEOSA-N 332.241 4.393 50 50 EIGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1O 44159 FBHSQDZOTUICSL-RGVLZGJSSA-N 340.766 4.070 50 50 EIGA N#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@H]1c1ccncc1 614405 QMFXULWHAVGSQT-HXUWFJFHSA-N 340.386 4.043 50 50 EIGA CSc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2790453 UBFQXGLSVKGMRN-DEDYPNTBSA-N 326.465 4.470 50 50 EIGA Cc1ccc(NC(=O)/C(C#N)=C2\NC(C)(C)Cc3ccccc32)c(C)c1 2915303 GOKJYAGJIKHEPU-ZZEZOPTASA-N 345.446 4.101 50 50 EIGA N#C/C(=C\C=C\c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 948146 PUUIELKZHNEUQU-AQHRCUNFSA-N 329.808 4.235 50 50 EIGA Cc1sc([C@@H](C)NC(=O)CCl)nc1-c1ccc(Cl)cc1 1319674258 ITUPWAAECMPPPU-MRVPVSSYSA-N 329.252 4.188 50 50 EIGA O=C(Nc1ccc(C(=O)CBr)cc1)OCc1ccccc1 2547897 SGOOUOYLZRYRQG-UHFFFAOYSA-N 348.196 4.013 50 50 EIGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 5092380 KXXQYBCIELRTGP-FZHYZTHSSA-N 347.256 4.051 50 50 EIGA Cc1cc(C)c(NS(=O)(=O)c2ccc(N=C=S)cc2)c(C)c1 19737294 BQFIPAQABNGLTI-UHFFFAOYSA-N 332.450 4.147 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1cccc2ccccc12 12488701 WDZJUULLANUSAS-DHUMLWCZSA-N 344.414 4.424 50 50 EIGA Cc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 65585 HQDNDKXIJGSJOU-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cc(C)sc1C 13322118 JBXJTROREUENHG-UDWIEESQSA-N 338.432 4.378 50 50 EIGA O=C(CCBr)Nc1cc(C(F)(F)F)ccc1Cl 2141574 OASPNOKQXOSUJR-UHFFFAOYSA-N 330.531 4.082 50 50 EIGA CCCCC[C@@H](O)CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3105720 UOJAFROGTLWFGA-HIPSJFSSSA-N 345.270 4.165 50 50 EIGA CC(/C=C/c1ccco1)=N\NC(=O)COc1ccc(C(C)(C)C)cc1 3900757 FFJPVWCZLYKCAH-IPEBZGMUSA-N 340.423 4.161 50 50 EIGA C=CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 2472872 KACMZCRXMTUSFK-NSHDSACASA-N 339.247 4.251 50 50 EIGA CC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4260282 PJBZUASYNMZEFC-WSDLNYQXSA-N 336.366 4.028 50 50 EIGA CC(C)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011056 VTRSNMQZVVLFQK-UHFFFAOYSA-N 349.434 4.406 50 50 EIGA O=C(CCl)N[C@@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 1875364961 ZLXXKBQNZLPEAT-HNNXBMFYSA-N 345.723 4.289 50 50 EIGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl 242233 GERBWXQAWZJDFQ-XLKFXECMSA-N 349.217 4.054 50 50 EIGA CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OC)c1 4714221 ZNTWZYPQJSBHGQ-FOWTUZBSSA-N 346.434 4.482 50 50 EIGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc2ccccc2c1 5034592 SQHIDKRGZJVEST-FYJGNVAPSA-N 334.423 4.014 50 50 EIGA N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1Cl 37304 KMTZWSGNMZQACG-MRXNPFEDSA-N 333.778 4.106 50 50 EIGA CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 17072540 WRCDDGUMYAMOQQ-NTCAYCPXSA-N 349.390 4.438 50 50 EIGA Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 13546357 ZTMYDSNKVZMCHH-JYRVWZFOSA-N 341.754 4.102 50 50 EIGA Cc1scc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)c1C 372690 BLBYAGQBGLGYMY-DJKKODMXSA-N 330.453 4.164 50 50 EIGA COC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Cl)c1 220956708 KAEXXMIENWMTSH-RIYZIHGNSA-N 345.757 4.138 50 50 EIGA Cn1cccc1CC(=O)N/N=C/c1c2ccccc2cc2ccccc12 2703886 VEHNDZQAPRWIEQ-HZHRSRAPSA-N 341.414 4.024 50 50 EIGA N#Cc1c(NC(=O)CCCl)sc2c1CC[C@@H](c1ccccc1)C2 74941598 FKLTYYWDUOMGSP-CYBMUJFWSA-N 344.867 4.460 50 50 EIGA C/C=C1/C[N@@+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 257361121 LQDGJFHWZHMWLV-CPRWESCKSA-O 349.498 4.172 50 50 EIGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc(Br)cc1 401138 PHGMAXFCVQZSBU-NTUHNPAUSA-N 328.165 4.242 50 50 EIGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/C=C/c1ccccc1 3167123 PUIFVZRTNXBRFW-QNUVFLEMSA-N 336.435 4.313 50 50 EIGA C=CCCCCCCCCC(=O)N/N=C/c1ccc(NC(C)=O)cc1 4829320 CJMVMOUQAIIQLV-LTGZKZEYSA-N 343.471 4.402 50 50 EIGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 9042209 QKBKEKLESMMJPV-YBFXNURJSA-N 338.436 4.026 50 50 EIGA O=[N+]([O-])c1ccccc1S[C@H]1C2=C[C@@H](CC2)[C@H]1Br 409415515 MXHJFZDOJNBXBG-WQHBLYJGSA-N 326.215 4.169 50 50 EIGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 13475574 INEPHMLEOGBXJO-LCYFTJDESA-N 346.308 4.260 50 50 EIGA CCO[P@](=O)(/C(C#N)=C(\O)Cc1ccccc1)c1ccccc1 101446653 BOXPDSJBDXAMCL-VMZYVOJKSA-N 327.320 4.162 50 50 EIGA O=C(CBr)c1c(Cl)cc(OC(F)F)cc1Cl 263624300 PCAPTTABLLBTGC-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1 5024858 GVODCMUGAOPCAU-GIJQJNRQSA-N 325.195 4.357 50 50 EIGA Cc1ncsc1-c1ccc([C@H](C)NC(=O)CCl)c(Cl)c1 1875383920 HGTVMUWJQFYEHA-QMMMGPOBSA-N 329.252 4.188 50 50 EIGA COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc12 611485 QIIICLRIUOIQJH-GHRIWEEISA-N 349.411 4.187 50 50 EIGA Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 12364063 MAHGWSCJLBSKAU-JAIQZWGSSA-N 341.798 4.104 50 50 EIGA CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](OC(=O)c2ccccc2)O1 169834929 CVBYDQLRKNLFFR-JKSUJKDBSA-N 336.504 4.370 50 50 EIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1C1CCCCC1 115256 UTMRMZKAQQUIPH-OXQOHEQNSA-N 348.446 4.308 50 50 EIGA C/C=C1/C[N@+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 252441236 LQDGJFHWZHMWLV-RIJZHPEPSA-O 349.498 4.172 50 50 EIGA C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1)c1ccccc1 921262247 RIINRWILOSIQSL-CDCQXCROSA-N 328.774 4.263 50 50 EIGA C[C@H](c1ccccc1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6982308 IAIFBENZKXFKGB-DYVFJYSZSA-N 342.402 4.050 50 50 EIGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C[C@@H]2CC[C@@H]3CC[C@H]1[C@H]23 104286802 WWXZTUHOBSOXQW-FVTGEYKSSA-N 329.352 4.101 50 50 EIGA O=C(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F 2243360 MUUHHNKHZXTMTO-UHFFFAOYSA-N 335.041 4.302 50 50 EIGA C[Si](C)(C)CCOCn1ncc2c(CBr)cccc21 725240107 ZIQSXKVOGHYBAJ-UHFFFAOYSA-N 341.325 4.244 50 50 EIGA O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1C[C@H]1c1ccccc1 5004979 USJAPFRTULEOHI-RLXLQZHTSA-N 333.218 4.247 50 50 EIGA CC(C)(C)C(=O)/C(C#N)=C/c1ccc(COc2ccc(C#N)cc2)o1 6823248 GFFOSPVYSSSQIR-XNTDXEJSSA-N 334.375 4.252 50 50 EIGA Cc1ccc2c(c1)sc[n+]2Cc1ccc(CBr)cc1 5710645 LHJMVGLVSUEAEQ-UHFFFAOYSA-N 333.274 4.440 50 50 EIGA COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)cc1 1401034 CUCVMUNSWURPRE-LJQANCHMSA-N 346.386 4.010 50 50 EIGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C)s1 2743926 JCUANPJRWBCJED-YRNVUSSQSA-N 332.812 4.264 50 50 EIGA C/C=C1/C[N@@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 252461255 LQDGJFHWZHMWLV-ORDZBERZSA-O 349.498 4.172 50 50 EIGA biogenic N#CC1=C(NC(=O)Cc2ccccc2)c2ccccc2CC12CCCC2 3996112 DDXJGRGOWCENSW-UHFFFAOYSA-N 342.442 4.397 50 50 EIGA CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C/c3ccco3)csc2C1 375053 BGJVWIOVLZQNNL-AINDZBIGSA-N 330.453 4.256 50 50 EIGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1 580537 XZBVMVSGPRRART-CIAFOILYSA-N 338.794 4.022 50 50 EIGA CN(C)C1CCC(C2CCC(I)CC2)CC1 2165652 XIJDRAHJSVIOHV-UHFFFAOYSA-N 335.273 4.101 50 50 EIGA CCCCC[C@H](O)CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3105718 UOJAFROGTLWFGA-YRIIZNAFSA-N 345.270 4.165 50 50 EIGA C/C(=C/CC[C@H](C)OS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C 1501069149 DDZZSJOGKIZDNK-ZVHGMHCTSA-N 336.570 4.099 50 50 EIGA O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1 60525 ZYSMPAKKBLUUMP-WSDLNYQXSA-N 337.810 4.055 50 50 EIGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 2876369 CBZAFZSFPPMWJV-LCYFTJDESA-N 329.153 4.421 50 50 EIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 4957819 FDBKCKZAOOFGHW-KGENOOAVSA-N 345.358 4.026 50 50 EIGA N#C/C(=C\c1ccc(O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 5008847 HKXJNSOTOBWOIP-RIYZIHGNSA-N 349.371 4.488 50 50 EIGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 459473 KXXQYBCIELRTGP-VSXNHXORSA-N 347.256 4.051 50 50 EIGA O=C(COc1ccc2ccccc2c1)N/N=C/C=C/c1ccccc1 1956554 QLPRKBXKNCRUOC-HSRIELGNSA-N 330.387 4.034 50 50 EIGA O=C(c1ccccc1)c1cc(Cl)ccc1NCCBr 2026526 KXJDJHUCMLXJLH-UHFFFAOYSA-N 338.632 4.378 50 50 EIGA O=C(CCCCCl)NN1c2ccccc2CCc2ccccc21 2924078 IUPOKFFSJDCYLP-UHFFFAOYSA-N 328.843 4.364 50 50 EIGA biogenic Cc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)o1 228234 TYZRTJXBECCNSV-LPYMAVHISA-N 348.402 4.239 50 50 EIGA C/C(=N/NC(=O)CNc1ccccc1C)c1ccc2ccccc2c1 16667354 OWNZTZQVMNDGLL-KQWNVCNZSA-N 331.419 4.101 50 50 EIGA CCc1ccc(OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1 144361501 XXNPGAQIOWUIMZ-CYVLTUHYSA-N 336.416 4.150 50 50 EIGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OC)c1 445621 XFXIFUVULJWYKJ-GHRIWEEISA-N 349.434 4.087 50 50 EIGA COc1ccc(CCCC(=O)N/N=C/c2ccc(Cl)cc2)c(C)c1 35653661 RIPPJXFGFKNRHH-FYJGNVAPSA-N 344.842 4.130 50 50 EIGA N#C/C(=C/c1ccsc1)C(=O)Nc1cccc(Br)c1 5074048 JEZKQHCNSASUKK-WDZFZDKYSA-N 333.210 4.056 50 50 EIGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccc2ccccc12 5351765 XHUOOFKMQYJYAC-FYJGNVAPSA-N 334.423 4.014 50 50 EIGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl 242236 GERBWXQAWZJDFQ-RMLUDKJBSA-N 349.217 4.054 50 50 EIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCCCC1 510973 XKKWSGNBMWBLGU-PXLXIMEGSA-N 336.435 4.296 50 50 EIGA C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 39325026 RUERQEYRPQPNQF-DWQUBVKVSA-N 348.837 4.180 50 50 EIGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1-n1cccc1 1398757 TXDKKKVSSBIOSX-CIAFOILYSA-N 341.773 4.034 50 50 EIGA N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 16479934 PQEVPUROKXVXME-ZSOIEALJSA-N 331.202 4.217 50 50 EIGA O=C(N/N=C/c1ccc(Cl)s1)c1ccc(OC2CCCC2)cc1 372807 KHNBTOTVUPGHNX-YBFXNURJSA-N 348.855 4.487 50 50 EIGA COc1cc(OC)c(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 5028270 BXUVPZLFCFUUPM-GHXNOFRVSA-N 339.782 4.298 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@@H]2COC3(CCCCC3)O[C@@H]12 169744759 QAMVGHKHCQTXIJ-OAGGEKHMSA-N 340.536 4.365 50 50 EIGA O=C(NNc1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl 263639871 MPKIGWANDUSDBT-UHFFFAOYSA-N 348.687 4.042 50 50 EIGA Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 498307 KYVDGNYNNIKISS-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA CCCCC1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 1953755 MVYLTGGMIVCMBU-UHFFFAOYSA-N 336.863 4.098 50 50 EIGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1 140303 SOAGQGTZDTWLPW-JLHYYAGUSA-N 346.308 4.260 50 50 EIGA CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCC)c1 4453643 VAYANIGCQJQTSY-RVDMUPIBSA-N 333.391 4.424 50 50 EIGA Cc1cc(O[C@H](C)C(=O)N/N=C/C=C/c2ccccc2)ccc1Cl 2102529 SNEYQAPCZMRNLZ-NFJORIOUSA-N 342.826 4.231 50 50 EIGA COc1cc(Br)cnc1CO[Si](C)(C)C(C)(C)C 169794064 YVIAJFISQPPERO-UHFFFAOYSA-N 332.314 4.375 50 50 EIGA in-vitro N#CSc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 4724655 HDQAYGDWHWKCTF-UHFFFAOYSA-N 341.417 4.132 50 50 EIGA O=C(Cl)c1ccccc1OCc1ccc(Br)cc1 40451465 XWVFEKFBIXAFNM-UHFFFAOYSA-N 325.589 4.407 50 50 EIGA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCl 1964975 MMXJTXJKZULDAQ-UHFFFAOYSA-N 337.828 4.159 50 50 EIGA c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 8234386 USFPINLPPFWTJW-UHFFFAOYSA-N 339.398 4.306 50 50 EIGA biogenic,in-vitro O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccco1 434555 WYPWCIGXACNYAM-UFFVCSGVSA-N 348.280 4.322 50 50 EIGA C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H](C)Cl 1875363674 RJVPYSBLONHOJG-KGLIPLIRSA-N 344.842 4.086 50 50 EIGA Fc1cc(Br)c(Br)c(CBr)c1 263624388 PZUTUYLFFYNSEP-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA O=[N+]([O-])c1ccc(CP(=O)(c2ccccc2)c2ccccc2)cc1 301415 PDLOJWJECCSQBS-UHFFFAOYSA-N 337.315 4.109 50 50 EIGA C[C@@H](NC(=O)/C(C#N)=C/c1c(F)cccc1Cl)c1ccccc1 459622 AXVWDVRTGRXZHM-HLVNSREUSA-N 328.774 4.263 50 50 EIGA Cc1sc([C@H](C)NC(=O)CCl)nc1-c1ccc(Cl)cc1 1319674259 ITUPWAAECMPPPU-QMMMGPOBSA-N 329.252 4.188 50 50 EIGA COC(=O)[C@]12C(=O)CCC[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C 169835230 OXLHOZSHYRXYSJ-JOQOYGCGSA-N 340.536 4.089 50 50 EIGA N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc(Br)cc1 4807778 PHGMAXFCVQZSBU-QPEQYQDCSA-N 328.165 4.242 50 50 EIGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1 4360599 HAVNTLPZZAYUNC-HZHRSRAPSA-N 344.414 4.338 50 50 EIGA CCCOc1ccccc1/C=C(\C#N)c1nc(O)c2ccccc2n1 16293667 YNFJSTFEBAKURV-NTCAYCPXSA-N 331.375 4.188 50 50 EIGA CC(=O)Nc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 4810599 QPWNDIYQGRCEKP-YBEGLDIGSA-N 330.391 4.202 50 50 EIGA BrCc1ccc(Br)cc1CBr 100014939 PJYGXPFKKAJUBG-UHFFFAOYSA-N 342.856 4.239 50 50 EIGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 54648 FBYFHNSFDOBQOA-HXUWFJFHSA-N 342.398 4.457 50 50 EIGA Cc1cc(C)c(CSC(C)(C)CNC(=O)CCCl)c(C)c1 5378750 YLLZLHGERJQXLE-UHFFFAOYSA-N 327.921 4.369 50 50 EIGA CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccsc2)cc1 5726808 KQMFEUXQPPTSPN-GNSOHCBRSA-N 326.465 4.299 50 50 EIGA CCOC(=O)[C@@H](Cl)Cc1ccc(OCCc2ccccc2)cc1 71769552 HAXHZROLLRDJHL-SFHVURJKSA-N 332.827 4.021 50 50 EIGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 1953401 SMVXTVPNSWQRRO-DEDYPNTBSA-N 330.815 4.283 50 50 EIGA CC(/C=C/c1ccccc1)=NNC(=O)c1cc(C)nc2ccccc12 252584547 AZCVJMCIKSIGAM-HEOQEMOLSA-N 329.403 4.362 50 50 EIGA COc1cc(Br)c(-c2nc(CCl)cs2)cc1OC 17072464 LHOTXVCWHDPTJZ-UHFFFAOYSA-N 348.649 4.329 50 50 EIGA N#CC(C#N)=Cc1c(Nc2ccccc2)ncnc1Nc1ccccc1 16134264 UFTTXQRSHKHNMN-UHFFFAOYSA-N 338.374 4.394 50 50 EIGA N#CC(C#N)=Cc1ccc(OCCCCCCBr)cc1 1848444045 FAMYPHPWQMNTOH-UHFFFAOYSA-N 333.229 4.451 50 50 EIGA O=C(N/N=C/c1ccc(O)cc1)c1sc2ccccc2c1Cl 531508 KPDBQAMVHTYGKY-GIJQJNRQSA-N 330.796 4.024 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc2ccccc2c1 12572750 PQUNIAMSWWKGDV-ADSQIOCHSA-N 344.414 4.424 50 50 EIGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 293308 JFIKNXQKJNLYRE-AYVTZFPOSA-N 349.217 4.054 50 50 EIGA CC1(C)CC(=O)C2=C(C1)NC(SCC#N)=C(C#N)[C@@H]2c1ccccc1 4730800 JVWRANRITSNERI-KRWDZBQOSA-N 349.459 4.009 50 50 EIGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccnc1 8578421 BKPISNOVXQINQT-PDGQHHTCSA-N 342.402 4.035 50 50 EIGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cccs1 5595547 AAZDQEPPDFVNGF-KGENOOAVSA-N 347.443 4.396 50 50 EIGA CC(/C=C\c1ccccc1)=NNC(=O)c1cc(C)nc2ccccc12 252677912 AZCVJMCIKSIGAM-UKXGSCPFSA-N 329.403 4.362 50 50 EIGA Cc1nnc(CCl)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 71770365 CPBUCUDVFXOMHN-UHFFFAOYSA-N 346.217 4.199 50 50 EIGA in-vitro C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 242453 UGDRVVRTNQLJBL-ANRSDYALSA-N 349.217 4.054 50 50 EIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1F 2585063 YGSIDQSIQSUEAN-OEAKJJBVSA-N 348.377 4.169 50 50 EIGA C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N)cc1 45924 ATBKACVCAXTWLT-HZHRSRAPSA-N 329.403 4.090 50 50 EIGA CC/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1cccc(Cl)c1 17068708 DMALZWZZVGRHPB-FHXOWUIVSA-N 333.646 4.154 50 50 EIGA COc1ccc(C(CCl)(CCl)c2ccc(OC)cc2)cc1 1575473 WBBWJUZPGHRERN-UHFFFAOYSA-N 325.235 4.468 50 50 EIGA C[C@@H](CCl)OP(=O)(OCCCCl)OCCCCl 143083260 LURCDQJWIBOOGP-VIFPVBQESA-N 327.572 4.029 50 50 EIGA C/C(=N\NC(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1 19892746 KDJFIISMSKXWIY-RQZCQDPDSA-N 327.236 4.138 50 50 EIGA CC1=C(C#N)C(=C(C#N)C#N)O[C@@]1(C)c1ccc(Cl)c(Cl)c1 73159029 RSWZFAPYKOARNG-MRXNPFEDSA-N 330.174 4.380 50 50 EIGA in-vitro N#C/C(=C\C=C\c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 2749520 XJHQZDQUBASZEN-HOTXFKOVSA-N 332.281 4.400 50 50 EIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1 66785 UPDJOFFFOYXSJF-IBGZPJMESA-N 328.371 4.067 50 50 EIGA CC(C)(C)c1[nH]nc2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 4473407 JNNSRXJIAHBURY-MRXNPFEDSA-N 344.418 4.079 50 50 EIGA COc1ccc(NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1 229511 DOXGKZNFTKYBNY-KAMYIIQDSA-N 331.375 4.031 50 50 EIGA N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@@H]1c1ccco1 9331115 JEQAQLSDNPDENX-LBPRGKRZSA-N 344.823 4.205 50 50 EIGA CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 35653627 UNANESUVAKWBCL-STCDJXRXSA-N 344.842 4.381 50 50 EIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1 65206 ZRJMWPQFQMUBAA-PXLXIMEGSA-N 345.402 4.421 50 50 EIGA COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)o3)n2)cc1 4976545 VGPDTTFEFRFJNY-LCYFTJDESA-N 338.388 4.484 50 50 EIGA COCOC(C)(C)[C@H](C)CP(=O)(c1ccccc1)c1ccccc1 214466023 UEUUZAHLJDYELG-QGZVFWFLSA-N 346.407 4.036 50 50 EIGA in-vitro CCCCCc1ccc(/C(C)=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 6693630 XLHJGKSPYZYFFP-KGENOOAVSA-N 338.455 4.174 50 50 EIGA C[C@H](CCl)OP(=O)(O[C@H](C)CCl)O[C@H](C)CCl 2389933 KVMPUXDNESXNOH-IWSPIJDZSA-N 327.572 4.026 50 50 EIGA biogenic C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 242443 UGDRVVRTNQLJBL-GLEZIHRCSA-N 349.217 4.054 50 50 EIGA C[C@](Cc1c(Cl)cccc1Cl)(NC(=O)CCl)C(F)(F)F 1875377489 FVHGSPSSJJFSCH-LLVKDONJSA-N 348.579 4.212 50 50 EIGA C=CCc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(OC)c1O 5028033 TVQOTTHNPLBNSE-YBEGLDIGSA-N 345.402 4.378 50 50 EIGA CCCCCC1CCC(C(=O)NNC(=O)c2cccc(C)c2)CC1 6782960 UQZZWCFMUISMCB-UHFFFAOYSA-N 330.472 4.143 50 50 EIGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 254531483 QFIVLDNJFXXQEU-UMFRXALVSA-N 336.357 4.307 50 50 EIGA CC1(C)OB(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OC1(C)C 169936812 ODSDMLUUWWJFFE-UHFFFAOYSA-N 334.341 4.370 50 50 EIGA in-vitro C[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1)c1ccccc1 921262250 RIINRWILOSIQSL-ZENNRRHLSA-N 328.774 4.263 50 50 EIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cc2ccccc2o1 4209659 CUEGBOCZJLTYEG-SRZZPIQSSA-N 349.777 4.398 50 50 EIGA O=C(Cc1cccs1)N/N=C/c1cccc(Oc2ccccc2)c1 2506231 JHQGXGFJVBUNRX-XSFVSMFZSA-N 336.416 4.233 50 50 EIGA Cc1ccc(/C=N/NC(=O)c2cc(CC(C)C)nc3ccccc23)o1 2749593 ZGFONCQBUWKYSW-CIAFOILYSA-N 335.407 4.099 50 50 EIGA N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F 1910234 JLOXTZFYJNCPIS-FYWRMAATSA-N 335.354 4.231 50 50 EIGA in-vitro O=C(CBr)c1cc(OC(F)F)c(Cl)cc1Cl 263623155 FEJAMZNKOJDCMT-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA CCO[Si](CCCCCCCCCCCON)(OCC)OCC 169744987 PLHZNMUQNDUOTN-UHFFFAOYSA-N 349.588 4.436 50 50 EIGA O=C(CSc1ccccc1)N/N=C/c1c(Cl)cccc1Cl 443583 QEULTSCJCXPPPS-GIJQJNRQSA-N 339.247 4.236 50 50 EIGA O=C(CCl)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 1319921278 APMTWGYOAUPEET-HNNXBMFYSA-N 330.161 4.063 50 50 EIGA COC(=O)c1ccccc1SSc1ccccc1C(=O)OC 158345 NECMWXVJIUGCSW-UHFFFAOYSA-N 334.418 4.059 50 50 EIGA C[C@@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 8553136 VNMKBDSXUAAAFZ-QFIPXVFZSA-N 336.398 4.174 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 169744763 DCVWUHGNXVBXKD-BDXSIMOUSA-N 348.515 4.404 50 50 EIGA CC[C@H](Br)C(=O)N(C)c1cccc(Cl)c1Cl 2141587 PVFHOZHUYNAPAZ-ZETCQYMHSA-N 325.033 4.130 50 50 EIGA COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Cl)c1 65338 GCOZPQSYEBQLES-CIAFOILYSA-N 338.794 4.266 50 50 EIGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1 17071052 DNZGVGXDBBDNMX-MTJSOVHGSA-N 338.794 4.353 50 50 EIGA COc1ccc([C@@H]2C(C#N)=C(S)OC3=C2C(=O)CC(C)(C)C3)cc1 6591113 BUWLWCCQOSIKBP-MRXNPFEDSA-N 341.432 4.117 50 50 EIGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1 437928 QLVPVXRUIIPKOS-FSJBWODESA-N 349.434 4.129 50 50 EIGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(C)C 4067470 DQZIINNFQYBMTI-GDNBJRDFSA-N 333.391 4.423 50 50 EIGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1Br 5725378 NPIJCEHVIGRUKN-DUPDGBOPSA-N 343.224 4.268 50 50 EIGA Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 17072062 QQHVISLAFNNIPT-GDNBJRDFSA-N 346.365 4.070 50 50 EIGA Clc1ccc(CC(CBr)CBr)cc1 118126358 AVPPHLLDFOINIR-UHFFFAOYSA-N 326.459 4.289 50 50 EIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 38766 QCGHSHZXEYSVDT-IBGZPJMESA-N 344.414 4.291 50 50 EIGA O=C(CCc1ccccc1)NN=C(c1ccccc1)c1ccccc1 334162560 ALJDMEORFBJVJW-UHFFFAOYSA-N 328.415 4.188 50 50 EIGA C=CCc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(OCC)c1O 13425323 YLMSMZPPBSMDLV-WJDWOHSUSA-N 345.402 4.460 50 50 EIGA [C-]#[N+][C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 100192891 SHUAFBBGLMPJLI-OAHLLOKOSA-N 339.338 4.406 50 50 EIGA Fc1ccc(Br)c(CBr)c1Br 263624434 QKNLESQCJPAKMH-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C[C@@H]2CC[C@H]3CC[C@@H]1[C@@H]32 101138911 WWXZTUHOBSOXQW-XBJNOIPFSA-N 329.352 4.101 50 50 EIGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 245226665 HOJLQUZVRZMINR-JYTGYTCASA-N 347.418 4.095 50 50 EIGA N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1cccnc1 296404 YXWBTLFGIQSVKA-KRWDZBQOSA-N 333.778 4.106 50 50 EIGA CC(=O)[C@@H](Br)[C@@H](Br)c1ccc(Cl)cc1 3048898 NNLXNPXDVHOGCR-ZJUUUORDSA-N 340.442 4.129 50 50 EIGA CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2CCC(C)(C)C3)cc1O 406274 ZTIGLVALLPZNCX-SFHVURJKSA-N 340.423 4.063 50 50 EIGA COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1C 25757844 FRVFOUNCVACUCW-IBGZPJMESA-N 336.435 4.131 50 50 EIGA C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 39325030 RUERQEYRPQPNQF-MRAWALMUSA-N 348.837 4.180 50 50 EIGA CC(C)c1cc(C(=O)N/N=C/c2ccsc2)c(O)c(C(C)C)c1 1009095 YHSHDJTYPZLFNT-DJKKODMXSA-N 330.453 4.464 50 50 EIGA N#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@@H]1c1ccncc1 614403 QMFXULWHAVGSQT-FQEVSTJZSA-N 340.386 4.043 50 50 EIGA CC/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1cccc(Cl)c1 17068706 DMALZWZZVGRHPB-VBEHJTROSA-N 333.646 4.154 50 50 EIGA CCOC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)Cl 3123010 KSTYMBHSZMGSCB-JTQLQIEISA-N 328.648 4.308 50 50 EIGA COc1ccc(OC)c(-c2cc(C(=O)Cl)c3ccccc3n2)c1 40451292 TUCAZCDGBFOWDT-UHFFFAOYSA-N 327.767 4.298 50 50 EIGA C[C@H]1CCc2c(C(=O)N/N=C/c3ccc(Cl)s3)csc2C1 2735803 JSGGWLIKIYDKPW-AYNSVGMASA-N 338.885 4.352 50 50 EIGA Cc1cc2nc(C(Cl)Cl)nc(-c3ccc(Cl)cc3)n2n1 1775975639 JSSFSVKNGLIKIE-UHFFFAOYSA-N 327.602 4.229 50 50 EIGA CCOC(=O)[C@H](Cl)Cc1ccc(OCCc2ccccc2)cc1 71769551 HAXHZROLLRDJHL-GOSISDBHSA-N 332.827 4.021 50 50 EIGA Cc1ccc(CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1 74554 HEQXZLOWMXQJEZ-KRWDZBQOSA-N 334.444 4.267 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 169744762 DCVWUHGNXVBXKD-ZJPYXAASSA-N 348.515 4.404 50 50 EIGA CCCc1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1 2777230 XFSCFRBLEHWKNH-UDWIEESQSA-N 337.448 4.321 50 50 EIGA N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CCCC1 14178346 GALHOTODNWQQAH-GHRIWEEISA-N 332.403 4.445 50 50 EIGA CO[C@@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011090 YOGQULVUEGCRCT-IBGZPJMESA-N 335.407 4.015 50 50 EIGA O[Si](CCCN1CCCCC1)(c1ccccc1)C1CCCCC1 169857732 QTBCATBNRIYMPB-UHFFFAOYSA-N 331.576 4.042 50 50 EIGA in-vitro C[C@@H](c1ccccc1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6982306 IAIFBENZKXFKGB-GUYCJALGSA-N 342.402 4.050 50 50 EIGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl 2485576 GERBWXQAWZJDFQ-CLAHSXSESA-N 349.217 4.054 50 50 EIGA CC(C)(C)c1nn(C(=O)CCCCl)c2c1C(=O)c1ccccc1-2 2561762 ZIBZOCZPQGGPLQ-UHFFFAOYSA-N 330.815 4.051 50 50 EIGA COc1ccc(-c2csc(/C(C#N)=C/c3ccco3)n2)cc1OC 5008791 GNVMBDCAGVVKRI-MDWZMJQESA-N 338.388 4.484 50 50 EIGA CC(C)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799750945 IPWWPTRJOIBWQS-UHFFFAOYSA-N 347.340 4.457 50 50 EIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 433534 RGHJUXHMIGETBM-DNTJNYDQSA-N 332.190 4.239 50 50 EIGA Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 22147528 ISCDKCCBDBSBHL-XFFZJAGNSA-N 347.237 4.365 50 50 EIGA C[C@@H]1CCc2c(C(=O)N/N=C/c3ccc(Cl)s3)csc2C1 2735805 JSGGWLIKIYDKPW-KFPHLYOZSA-N 338.885 4.352 50 50 EIGA Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCCCl)[C@H]3CCC1 3149648 PXGYTIJQTMPURC-KRWDZBQOSA-N 330.859 4.188 50 50 EIGA O=C(CBr)c1ccc(Cl)c(OC(F)F)c1Cl 263624632 SCZHTWWTFYUOEM-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA CC(=O)c1sc(SSc2nc(C)c(C(C)=O)s2)nc1C 71766974 SQGIFCWBOANTMJ-UHFFFAOYSA-N 344.508 4.421 50 50 EIGA CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)OCc2ccccc2)C1 195925836 HNYNRAMHMUIXAN-MRXNPFEDSA-N 335.520 4.419 50 50 EIGA OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12 169745552 YGVDBZMVEURVOW-UHFFFAOYSA-N 348.210 4.493 50 50 EIGA in-vitro CCO[C@@H]1C[C@](F)(C(F)(F)F)[C@](F)(C(F)(F)F)C[C@H]1Cl 252586784 SLTXLYZUZLOALQ-OOJXKGFFSA-N 334.634 4.334 50 50 EIGA O=[N+]([O-])c1ccccc1S[C@@H]1C2=C[C@@H](CC2)[C@@H]1Br 409415514 MXHJFZDOJNBXBG-OXHMUOHRSA-N 326.215 4.169 50 50 EIGA N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(O)cc1 434611 HBTVXUOWCCOORL-NTMALXAHSA-N 333.174 4.245 50 50 EIGA O=C1c2ccccc2C(=O)N1CCCCCCCCBr 1708112 LAMUQORCSIHVMC-UHFFFAOYSA-N 338.245 4.018 50 50 EIGA in-vitro Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1 510702 WATYNMUFMYYDAE-SRZZPIQSSA-N 344.842 4.301 50 50 EIGA CCCCOc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 3001494 KZLLCKQEBGNVGH-OEAKJJBVSA-N 349.434 4.040 50 50 EIGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(-c2ccccc2)cc1 5324854 INSBTDVLLDOVBL-PXLXIMEGSA-N 346.434 4.354 50 50 EIGA CCCCOc1ccc(C(=O)N/N=C\c2ccc3c(c2)CCC3)cc1 37246079 ILIWILCLJUDTNE-JCMHNJIXSA-N 336.435 4.118 50 50 EIGA Fc1c(Br)ccc(CBr)c1Br 263623050 DFSPODOWGJQGBF-UHFFFAOYSA-N 346.819 4.246 50 50 EIGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 71056 ANZPTXAZOGLDSV-LJQANCHMSA-N 328.371 4.067 50 50 EIGA O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(O)cc1 5739791 GCLRZQQIFDWSQA-UCQKPKSFSA-N 340.382 4.463 50 50 EIGA N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccccc1Cl 37303 KMTZWSGNMZQACG-INIZCTEOSA-N 333.778 4.106 50 50 EIGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccc(Cl)c1 297453 MTMCSXYUOUWFQE-QGMBQPNBSA-N 327.598 4.411 50 50 EIGA O=C(N/N=C/C=C/c1ccco1)c1cc(C2CC2)nc2ccccc12 2736125 PNUGXNBSHOMUQC-XNPADOQNSA-N 331.375 4.134 50 50 EIGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 2831553 VQTASPSBHYJVSG-CJLVFECKSA-N 337.467 4.385 50 50 EIGA COc1cc(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1O 16319709 BDWKPVAEVVMXNC-SDQBBNPISA-N 330.727 4.027 50 50 EIGA O=C(CBr)c1cc(Cl)cc(OC(F)F)c1Cl 263623260 GACIUWMJKNQXCW-UHFFFAOYSA-N 333.943 4.172 50 50 EIGA