smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCC(=NNC(=O)c2ccccc2Cl)CC1 59413319 ZWILIRLCJPGVQO-UHFFFAOYSA-N 265.744 2.151 50 40 CEGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(F)cc1 3469113 UHTGMUPPMNVMNG-RQZCQDPDSA-N 286.262 2.288 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccnc2)n1 408975650 BSUSLDFZAFBUFR-NTUHNPAUSA-N 252.277 2.142 50 40 CEGB CN(C)C[C@@H]1CCCCC[C@@H](Br)C1=O 5119402 LYTSDVPPPFCMCZ-VHSXEESVSA-N 262.191 2.461 50 40 CEGB COc1ccc(O)c(/C=N/NC(=O)CCc2ccccc2)c1 6127141 XPANSATZYZHKMB-LDADJPATSA-N 298.342 2.484 50 40 CEGB CCOc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1 14512021 IFYPJFPUHPIRJH-UHFFFAOYSA-N 286.335 2.249 50 40 CEGB O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1 20268521 AJZZGIDTBJLUTQ-UHFFFAOYSA-N 287.190 2.223 50 40 CEGB in-vitro CCSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1 301343 RFSPZIJFFUUGKK-UHFFFAOYSA-N 260.366 2.332 50 40 CEGB S=C=NC[C@H](Br)CBr 2528116 AFQQAAKQKFCSPQ-SCSAIBSYSA-N 258.966 2.248 50 40 CEGB COc1ccc(C(=O)NN=C2CCCC2)c(OC)c1 15934306 YCSXLHPJKIRBEJ-UHFFFAOYSA-N 262.309 2.364 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)n1 408975622 BJXAWHSFFNYADF-AWNIVKPZSA-N 295.298 2.476 50 40 CEGB IC1CCC2(CC1)OCCO2 34606311 DMVFMHBEQNPBKC-UHFFFAOYSA-N 268.094 2.107 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)c1cccc(F)c1 4894827 BEYCZCPYRFEHTO-UHFFFAOYSA-N 286.306 2.220 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccncc2)cccc1[N+](=O)[O-] 59920986 CEEFZDNTVMUBQA-CXUHLZMHSA-N 284.275 2.062 50 40 CEGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(O)cc1 58887012 WLSDVHIYNLJMJJ-IQFISFIMSA-N 298.342 2.356 50 40 CEGB Cn1cccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 13350076 VOGIDDMVSVKFOS-FMIVXFBMSA-N 295.298 2.269 50 40 CEGB C[C@@H](CCOC(=O)[C@@H](C)Cl)OC(=O)[C@@H](C)Cl 4409635 ZFYTYLWHTNILNP-XLPZGREQSA-N 271.140 2.106 50 40 CEGB O=C(COc1ccccc1Cl)N/N=C/c1cccnc1 94417 KPUKPSZTPSXLJT-RQZCQDPDSA-N 289.722 2.264 50 40 CEGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1 30822056 OBZOHUUBODHUOT-MFOYZWKCSA-N 286.262 2.288 50 40 CEGB O=C(NN=C1CCCC1)C(=O)Nc1ccccc1Cl 59434386 YHCMESTZNQESCQ-UHFFFAOYSA-N 279.727 2.325 50 40 CEGB CCC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 6396377 CSVFWBGMPOPNBJ-UHFFFAOYSA-N 275.736 2.207 50 40 CEGB O=C(N/N=C/c1cnc(N2CCCC2)s1)c1ccco1 5770307 NRSJQWQIBDGUKF-OQLLNIDSSA-N 290.348 2.100 50 40 CEGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)Cc1ccccc1 5715093 IWKRYVONFCDWFJ-MTOJCTJASA-N 290.363 2.311 50 40 CEGB CCO/C=C(\C#N)S(=O)(=O)c1cc(C)ccc1C 67240339 ATCHBCZGDGKFIG-FMIVXFBMSA-N 265.334 2.479 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2ccccn2)cc1 368602 GCJHNCNDWNICCM-LDADJPATSA-N 283.331 2.173 50 40 CEGB C[C@]12[C@@H](Br)[C@H]3[C@@H]4C[C@@H]5[C@H](C(=O)[C@H]1[C@@H]53)[C@H]42 253390719 DYJXAYHLFCEUAR-NSPHKZOOSA-N 253.139 2.097 50 40 CEGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1 231295 UGMUONAFJFFBIC-YBEGLDIGSA-N 286.287 2.359 50 40 CEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)o1 267710 LKMBHSDJEPBSHG-CYBMUJFWSA-N 288.303 2.233 50 40 CEGB COc1ccc(NC(C)=O)cc1NC(C)=C(C#N)C#N 5935591 VBNSJTCYCICPAY-UHFFFAOYSA-N 270.292 2.387 50 40 CEGB CCOc1ccc(CC(=O)N/N=C/c2cccnc2)cc1 536262 NREUQQGWCYRHAN-LDADJPATSA-N 283.331 2.173 50 40 CEGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(O)cc2)c1C 561162 IZEIITSYCIXQIW-CXUHLZMHSA-N 271.320 2.270 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1cccnc1 60684454 APCAJIQZOUCBFO-LDADJPATSA-N 298.346 2.429 50 40 CEGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 28355914 MURASVYJPJPZEA-XYOKQWHBSA-N 297.270 2.411 50 40 CEGB O=C(NNC(=O)c1cccnc1)Nc1ccc(Cl)cc1 3156593 QAXLTFHQNCEJEI-UHFFFAOYSA-N 290.710 2.202 50 40 CEGB CCOc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 408589550 LUECSAAVFAOMAK-YAJBTMAUSA-N 298.342 2.269 50 40 CEGB O=C1S/C(=C\c2ccccc2)C(=O)N1C[C@H](O)CCl 2274983 PQPDFXCCHCUXAG-CHPNCVJKSA-N 297.763 2.323 50 40 CEGB C=CCNC(SCc1cccnc1)=C(C#N)C#N 6780827 RWIUDKATBJYCOV-UHFFFAOYSA-N 256.334 2.349 50 40 CEGB COc1ccc(CC(=O)NNC(=O)c2ccc(C)cc2)cc1 585567 XMMXSTYEGPGQCE-UHFFFAOYSA-N 298.342 2.007 50 40 CEGB Cc1cccc(OCC(=O)N/N=C/c2ccc[nH]2)c1C 989886 JSHGDHJZJWKHOM-RQZCQDPDSA-N 271.320 2.161 50 40 CEGB C/C(=N/NC(=O)c1cc(C)oc1C)c1ccncc1 12445311 QEINYJCQLNAOQE-YBEGLDIGSA-N 257.293 2.445 50 40 CEGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1C 408779853 MHTAKSNXXBVGGJ-SXGWCWSVSA-N 271.320 2.111 50 40 CEGB Cc1cc(O)cc(O)c1/C=N/NC(=O)c1ccccc1 4784681 HPEZMJVPNRAERL-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB O=C(NNc1ccccc1)c1cnn(-c2ccccc2)n1 72575007 HIDDKGFTFPEPRZ-UHFFFAOYSA-N 279.303 2.024 50 40 CEGB ClCc1nnnn1-c1ccccc1Br 36722403 GARANGMNWQXXQG-UHFFFAOYSA-N 273.521 2.164 50 40 CEGB in-vitro C#CCOc1ccccc1/C=N/NC(=O)c1ccccc1 3089601 YLELPGROIASFOD-QGOAFFKASA-N 278.311 2.463 50 40 CEGB CCO[C@@H]1CCC[C@@H](CC(=O)NNc2ccccc2)[C@@H]1O 1628049 IOPUZZHFLYIKJJ-BJJXKVORSA-N 292.379 2.086 50 40 CEGB N#C/C(=C\c1cccc(F)c1F)C(=O)NC[C@H]1CCCO1 96298368 KHBQOIGKCVWXTB-YTRUQHMWSA-N 292.285 2.167 50 40 CEGB CCc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 33435310 XZXZVICFEASMGZ-JTQLQIEISA-N 251.713 2.367 50 40 CEGB CCCCC(=O)N/N=C\c1ccc(OC)c(O)c1 31670248 QPYKSXRJZFHQMJ-ZROIWOOFSA-N 250.298 2.041 50 40 CEGB O=Cc1ccc2c(c1)C[C@@H](CI)O2 218743537 OXKWAUUBJMKUEC-VIFPVBQESA-N 288.084 2.238 50 40 CEGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1ccccc1O 4178048 HTZKKYNNKBGMRZ-YAFRSCOQSA-N 292.335 2.087 50 40 CEGB COC(=O)N/N=C(\C)c1ccc(Cl)c([N+](=O)[O-])c1 5282489 JFMFGNBRFCGFBL-WUXMJOGZSA-N 271.660 2.328 50 40 CEGB CO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000162 UXEFQFXTDBAALV-QMMMGPOBSA-N 276.248 2.083 50 40 CEGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 3008856 QOIKFQIFQWFRTF-VCHYOVAHSA-N 299.305 2.223 50 40 CEGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccncc1 239346 WIRWPUYCUHKGDD-RQZCQDPDSA-N 289.722 2.264 50 40 CEGB CCOC(=O)c1csc(NNC(=O)c2ccccc2)n1 787658 KGRHRZZIYMULFK-UHFFFAOYSA-N 291.332 2.077 50 40 CEGB Cc1noc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NN 120808 WNRIJLAWFHNRJX-UHFFFAOYSA-N 285.225 2.272 50 40 CEGB CC1(C)CC(O)=C/C(=N\NC(=O)c2cccnc2)C1 102109314 HHQNWWSWLOFIPY-LFIBNONCSA-N 259.309 2.429 50 40 CEGB COc1cc(Cl)c(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334981 ULWUVKJNOCKBHC-YHYXMXQVSA-N 294.738 2.352 50 40 CEGB CCCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 33362205 MLIDMRNCKRLCTP-XFXZXTDPSA-N 273.292 2.418 50 40 CEGB C/C(CC(=O)C(F)(F)F)=N\NC(=O)c1ccc(O)cc1 104094204 NNLBKQMRQOKGLN-FRKPEAEDSA-N 288.225 2.019 50 40 CEGB COC(=O)C1CCC(CCCl)(C(=O)OC)CC1 79017246 ONBAUDQPYATDMN-UHFFFAOYSA-N 262.733 2.138 50 40 CEGB CC1(CC(=O)N/N=C/c2ccccc2Cl)OCCCO1 408720218 ZQZJVGNAWRUJBL-MHWRWJLKSA-N 296.754 2.333 50 40 CEGB O=C(Cl)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1 70462568 RPLMMSXTZDWFBZ-UHFFFAOYSA-N 284.684 2.243 50 40 CEGB C[C@H](Br)C(=O)c1ccc2c(c1)OCO2 40379212 NTPQGLLTGPTOAA-LURJTMIESA-N 257.083 2.381 50 40 CEGB in-vitro IC[C@H]1Cc2ccccc2O1 5492950 UWDBAXBXJVIZMN-MRVPVSSYSA-N 260.074 2.425 50 40 CEGB in-vitro O=C(O)[C@H](O)c1ccc(N(CCCl)CCCl)cc1 2000161 OGUOEXAPDGLKFQ-LLVKDONJSA-N 292.162 2.089 50 40 CEGB CC[C@H](C)C(=O)NNC(=O)c1ccc(N(CC)CC)cc1 22412664 KZZUFOICCRSNSA-LBPRGKRZSA-N 291.395 2.340 50 40 CEGB Cc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1 3196154 QQRCBMOTFMCLLU-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB CCS(=O)(=O)[C@H](Cl)C(=O)c1cccc(C)c1 96517815 YCOUCSSWQMXWRT-NSHDSACASA-N 260.742 2.177 50 40 CEGB O=C(N/N=C/c1cccc2ccccc12)c1cnccn1 45370 YWLOQJGDHZFBBO-VXLYETTFSA-N 276.299 2.394 50 40 CEGB CC(=O)N1c2ccc(C(=O)CCl)cc2C[C@H]1C 20283444 LXUXFLFSMLJDKG-MRVPVSSYSA-N 251.713 2.406 50 40 CEGB in-vitro C[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 100065751 BLUAFEHZUWYNDE-QTFBQYBJSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro N#CC(C#N)=C1NC2(CCC(c3ccccc3)CC2)N=C1N 22145189 ZLCVRSKJAJOVQZ-UHFFFAOYSA-N 291.358 2.302 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1O 408803640 RMSXCUNFMYTJSR-YRNVUSSQSA-N 294.738 2.105 50 40 CEGB COc1ccc(/C(C)=N\NC(=O)c2ccncc2)cc1 12362214 FUCZYYIIIVBUML-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB Cc1cccc(C(=O)N/N=C2/C(=O)Nc3ccc(C)cc32)c1 336477 NUPHAVYPSQMSPO-UHFFFAOYSA-N 293.326 2.390 50 40 CEGB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)CCl)C1 202161965 OHZUZWMGNXKYCU-SECBINFHSA-N 261.749 2.441 50 40 CEGB C=CCNC(=S)NNC(=O)c1cccc2ccccc12 4951190 DYZKPXXSBGVLFN-UHFFFAOYSA-N 285.372 2.135 50 40 CEGB O=C(Cc1ccc(F)cc1)NNC(=O)CC1CCCC1 8415352 BNAMCSZEIAUVNF-UHFFFAOYSA-N 278.327 2.096 50 40 CEGB CC(C)(O)C(=O)N/N=C/c1cccc(Cl)c1Cl 32578419 XTGNJMSARCQXFT-MKMNVTDBSA-N 275.135 2.214 50 40 CEGB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Cl)o2)cc1 39762237 DNAJINTWGZFBCT-SSDOTTSWSA-N 281.699 2.311 50 40 CEGB NNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 73640261 MTQAFDHTUSHBRO-UHFFFAOYSA-N 281.655 2.112 50 40 CEGB O=C(CCl)N1CCCc2cccc([N+](=O)[O-])c21 96341556 HQIFHRSKCJJPOQ-UHFFFAOYSA-N 254.673 2.113 50 40 CEGB CC(=O)N/N=C1\c2ccccc2-c2nc3ccccc3nc21 43004 HROLGBBVHCFHJO-LTGZKZEYSA-N 288.310 2.499 50 40 CEGB CCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5783104 MHERBEINJBMWFI-UHFFFAOYSA-N 293.411 2.333 50 40 CEGB Nc1ccc(C(=O)N/N=C/c2ccccc2F)cc1 3525436 YROWEDLUJHTSOA-RQZCQDPDSA-N 257.268 2.172 50 40 CEGB COC/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 5997644 RMKSZKNEPFLURM-VZUCSPMQSA-N 263.293 2.266 50 40 CEGB in-vitro C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccccc1 4473631 OKDHXETVDREEDW-SFQUDFHCSA-N 293.330 2.237 50 40 CEGB CC(=O)NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1466257 PYNCFIDDTNRCGK-UHFFFAOYSA-N 278.293 2.181 50 40 CEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC#N)c1C 5870305 QMFNIPGCACXEDU-NTEUORMPSA-N 271.320 2.489 50 40 CEGB ICC1CCC2(CC1)OCCO2 117664029 XULBVRAEWFBTMO-UHFFFAOYSA-N 282.121 2.355 50 40 CEGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 18266100 DASZZEJUMGTMIH-ZDUSSCGKSA-N 297.289 2.041 50 40 CEGB C/C(N)=C(\C#N)c1csc(Nc2ccccn2)n1 23625600 ZIIMHRYLYULYEY-HJWRWDBZSA-N 257.322 2.495 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2cccc(F)c2)o1 409009722 HRBJVFVQOCIOQR-RQZCQDPDSA-N 271.251 2.449 50 40 CEGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 3248953 QEQCRAHIUKJFBR-GXDHUFHOSA-N 283.331 2.174 50 40 CEGB N/C(CCl)=N\OC(=O)Nc1cc(Cl)nc(Cl)c1 4289122 XPWWLNZKZSBLHI-UHFFFAOYSA-N 297.529 2.448 50 40 CEGB NCCCCCC(=O)N/N=C/c1ccc2ncccc2c1 1809319 IGDYRQJFBCPQDA-XDHOZWIPSA-N 284.363 2.204 50 40 CEGB CC[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1 25156237 VFQRKCIQSHXQLW-QMMMGPOBSA-N 254.717 2.147 50 40 CEGB COc1cc(NC(=O)CCCl)cc(OC)c1OC 19392183 PDNUCPADTCCWPQ-UHFFFAOYSA-N 273.716 2.280 50 40 CEGB COc1cc2c(cc1/C=N/NC(=O)c1ccccc1)OCO2 409057589 QBMCXCYYCPLNLT-RQZCQDPDSA-N 298.298 2.188 50 40 CEGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 36236321 SIIPEFCKIWAWRN-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB Cc1cc(NC(=O)CCl)ccc1N1CCOCC1 34776765 ODJBVNPVAKEBEO-UHFFFAOYSA-N 268.744 2.009 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1 33297345 DCOPZLNBENXLIU-YBEGLDIGSA-N 299.286 2.124 50 40 CEGB NNC(=O)c1ncoc1-c1ccc(Cl)cc1Cl 226101201 AKDXFVDBHOFJEF-UHFFFAOYSA-N 272.091 2.252 50 40 CEGB N#CC1=C2c3ccccc3CC3(CCCC3)N2C(=O)C1=O 2091010 NFRWRAYNFUOFOY-UHFFFAOYSA-N 278.311 2.201 50 40 CEGB biogenic CCc1ccc(C(=O)NNC(=O)c2ccsc2)cc1 12800739 OQRHDNDDDXADNZ-UHFFFAOYSA-N 274.345 2.385 50 40 CEGB COc1ccc(NCC(=O)N/N=C(\C)C(C)C)cc1 4871622 VSVCDIXPDJZEKP-LFIBNONCSA-N 263.341 2.255 50 40 CEGB Cc1n[nH]c2c1[C@H](c1ccsc1C)C(C#N)=C(N)O2 32510629 CRXCTRCVYDJYIL-LLVKDONJSA-N 272.333 2.306 50 40 CEGB CC(C)c1ccc(/C=N\NC(=O)c2ccn[nH]2)cc1 33318525 QANHJCXASDUZCT-SXGWCWSVSA-N 256.309 2.297 50 40 CEGB C[C@H](Br)C(=O)Nc1ccccc1C#N 5676612 CHTLHFARVYFCBE-ZETCQYMHSA-N 253.099 2.280 50 40 CEGB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)NN)c1C 223710151 OLWXHMMDXONEAE-UHFFFAOYSA-N 293.754 2.360 50 40 CEGB CC[C@H](C)c1ccc(NC(=S)NNC(=O)COC)cc1 6394342 KHYYZBCZINUVSW-JTQLQIEISA-N 295.408 2.164 50 40 CEGB O=C(NNC(=O)c1ccco1)c1ccc(-n2cccc2)cc1 8721415 ZTLSQDPAJGEJFU-UHFFFAOYSA-N 295.298 2.145 50 40 CEGB CC1(C)C=C2C(=NN(c3ccccc3)C(N)=C2C#N)CO1 173901 XQJQZTOXHGIQCA-UHFFFAOYSA-N 280.331 2.292 50 40 CEGB in-vitro COc1ccc2c(c1)C(=NNC(N)=O)c1cc(OC)ccc1-2 257860 WGGSFSQCPJWXQH-UHFFFAOYSA-N 297.314 2.105 50 40 CEGB O=S(=O)(CCCCl)SCCCCl 1611272 YCHXMSKECUPYAH-UHFFFAOYSA-N 251.200 2.307 50 40 CEGB CCN(CC)c1ncnc2c1ncn2CCBr 4575814 IDZABFVQHFPBGR-UHFFFAOYSA-N 298.188 2.067 50 40 CEGB Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCBr 22130255 OCNACRIUAGGJJD-UHFFFAOYSA-N 282.137 2.228 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(Cl)cc1 6397491 WOVNUGDVLZDTAC-UHFFFAOYSA-N 271.773 2.458 50 40 CEGB C=CCNC(=S)NNC(=O)CCC1CCCCC1 5976074 DLIWBHOXSIKLFY-UHFFFAOYSA-N 269.414 2.028 50 40 CEGB Cc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)s1 2795069 RADIONXGBXFYSB-VNKGSWCUSA-N 276.361 2.259 50 40 CEGB CC1CCC(=NNC(=O)c2cc(O)ccc2O)CC1 16990293 LIYQXBNBQLIHSA-UHFFFAOYSA-N 262.309 2.394 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 31688308 MVQGNPRBTFWEMO-GDNBJRDFSA-N 269.260 2.359 50 40 CEGB CCCCC(=O)N/N=C\c1ccc(NC(C)=O)cc1 31670246 PMLMTAJTTGJXEA-GDNBJRDFSA-N 261.325 2.285 50 40 CEGB N#C/C(=C1/CCCCCN1)S(=O)(=O)c1ccccc1F 98212073 ZWSLVWXOAQIBTG-WYMLVPIESA-N 294.351 2.498 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 143846 WZZURJUHWYSSHG-JLHYYAGUSA-N 256.305 2.225 50 40 CEGB CCCCC(=O)N/N=C\c1ccc([N+](=O)[O-])s1 5639858 CAMIYNLQSCDDLI-XFFZJAGNSA-N 255.299 2.297 50 40 CEGB CC[C@H](C(=O)OCC(=O)/C(C#N)=C(\C)N)c1ccccc1 22225885 OBKVIZMONBBESF-UQRISPGASA-N 286.331 2.049 50 40 CEGB CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1 34373475 XRUBVPBDWPIFBV-CQSZACIVSA-N 299.286 2.438 50 40 CEGB CCCCn1c(Cc2ccco2)ccc1C(=O)NN 226031522 VBYPJJQRWRQGDK-UHFFFAOYSA-N 261.325 2.076 50 40 CEGB COc1cc(C(=O)NN)ccc1OCc1ccccc1C 226319758 QLEZEXHVSCMWQT-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB Cc1ccccc1N1C(=O)CSC1=C(C#N)C#N 256793 JSJJZYVAUBHMLJ-UHFFFAOYSA-N 255.302 2.334 50 40 CEGB CC(=O)/C(C#N)=C1\NC(=O)[C@@H](Cc2ccccc2C)S1 100956742 PSOITZFJSOZALM-MLJWKTOOSA-N 286.356 2.093 50 40 CEGB O=C(NNC(=O)[C@@H]1CC12CCC2)[C@@H]1C[C@@H]1c1ccccc1 4595423 VYNAFOKLOJTNBO-MCIONIFRSA-N 284.359 2.128 50 40 CEGB CCCC(O)(CCC)C(=O)NNc1ccccc1 509761 NTGBJJWRFFASCE-UHFFFAOYSA-N 250.342 2.461 50 40 CEGB O=C(Cc1ccccc1)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104243066 YOUPAAUSYHCBAL-SOUVJXGZSA-N 286.375 2.203 50 40 CEGB N#C/C(=C\c1ccccc1OCC(F)(F)F)C(N)=O 96428777 HJQKWRFDCMINRM-WEVVVXLNSA-N 270.210 2.020 50 40 CEGB Cc1cccc(Cl)c1N/C=C(/C#N)c1nn[nH]n1 6302612 SUPNXAOKBSBCDB-VURMDHGXSA-N 260.688 2.138 50 40 CEGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 14250187 VJGVDBXQDVZXHC-WCABBAIRSA-N 292.404 2.290 50 40 CEGB NNC(=O)Cc1cn(Cc2ccccc2)c2ccccc12 18192771 FGTLOGUJZNNZDG-UHFFFAOYSA-N 279.343 2.222 50 40 CEGB O=C(CCCCl)Nc1ccc2c(c1)OCCO2 5514286 BQZBZZTVGTXGNO-UHFFFAOYSA-N 255.701 2.415 50 40 CEGB CCCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1 9336292 DEBOBYCDQKMUDV-UHFFFAOYSA-N 287.319 2.293 50 40 CEGB CC1(CC(=O)N/N=C/c2ccc(O)cc2)SCCS1 409366875 ZVLGJPANEZFFHN-NTEUORMPSA-N 296.417 2.429 50 40 CEGB N#CC1=C(N)SC(O)=C(C#N)[C@H]1c1ccc(N)cc1 500854 MHRNXUHQIYIFNI-NSHDSACASA-N 270.317 2.086 50 40 CEGB N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccccn1 6644610 GKSBPCRXGLSVRJ-UKTHLTGXSA-N 281.290 2.444 50 40 CEGB Cc1ccc(CC(=O)N/N=C\c2ccccc2O)cc1 409361612 PERTYMSLBDJQDR-BOPFTXTBSA-N 268.316 2.393 50 40 CEGB O=C(CCl)N(C1CC1)[C@H]1CCN(Cc2ccccc2)C1 79393749 OXHUJDMQKSWMFQ-HNNXBMFYSA-N 292.810 2.491 50 40 CEGB Cc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)s1 5618587 DJDRYGQPBURUOW-NCPSJORJSA-N 274.345 2.240 50 40 CEGB C[N+](C)(C)CCOC(=O)c1ccc(CCl)cc1 1720509 BCRARGFLQWUQFY-UHFFFAOYSA-N 256.753 2.288 50 40 CEGB CCOC(=O)/C(=N/Nc1ccc(C)c(C)c1)C(=O)CCl 3267654 JPPUEIYXOGBKEX-GHRIWEEISA-N 296.754 2.442 50 40 CEGB CCOc1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl 8733053 RXLNWRKXSLNGEJ-JTQLQIEISA-N 298.770 2.157 50 40 CEGB CCCC/C(C)=N/NC(=O)c1cc(O)ccc1O 16973842 ZNRTZSTZHQTHQI-NTEUORMPSA-N 250.298 2.394 50 40 CEGB COc1ccccc1OS(=O)(=O)CCCCCl 95946063 OXHYBBGRIXFTTP-UHFFFAOYSA-N 278.757 2.423 50 40 CEGB O=S1(=O)CC[C@@H](Br)c2ccccc2C1 4974735 PXAZBYXKDHKVBH-SNVBAGLBSA-N 275.167 2.441 50 40 CEGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccco2)c1 6685721 CWYYSQMCKMLPSE-MHWRWJLKSA-N 288.303 2.451 50 40 CEGB CCN(CC)CC(=O)N/N=C/c1ccc(SC)cc1 4525840 HTIQHLFNQHZPRU-XNTDXEJSSA-N 279.409 2.200 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1cc(OC)ccc1OC 14796362 ANCXEDMYFAOHJU-KTKRTIGZSA-N 276.292 2.086 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1[C@@H]1C=CCCC1 19853027 MVNXSXDTXPPBSC-MRVPVSSYSA-N 258.350 2.093 50 40 CEGB Cc1ccc(C(=O)NNC(=O)Cc2ccccc2)c(C)c1 5271714 ILKZNOLMCFGZBP-UHFFFAOYSA-N 282.343 2.307 50 40 CEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccccc1 100510141 ZFZJEJNSTVWULX-LDADJPATSA-N 299.330 2.092 50 40 CEGB O=S1(=O)CCc2ccccc2[C@@H](Br)C1 1641120 UMNCWECSMDPDOE-JTQLQIEISA-N 275.167 2.094 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 12954187 NKURIEFMYPJUGJ-GWCFXTLKSA-N 284.315 2.474 50 40 CEGB Cn1cccc1/C=N\NC(=O)c1ccc(Cl)cc1 4775437 XZQTXYBBXYJBTB-DHDCSXOGSA-N 261.712 2.442 50 40 CEGB COc1cccc(C(=O)N/N=C(\C)c2ccccn2)c1 5621162 TUDCFHJNNYJIIX-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB CC(C)Cc1ccc(C(=O)NN)n1Cc1ccc(F)cc1 226023402 WADIFCFCYHGASW-UHFFFAOYSA-N 289.354 2.478 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1C 569160 WTGXDKUPJBKCNH-UHFFFAOYSA-N 274.345 2.440 50 40 CEGB O=C(CCBr)NC(=O)Nc1ccccc1 1683000 DDVWQECCHILQCW-UHFFFAOYSA-N 271.114 2.120 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1O 257108 RZHSKCNWHUVSFK-LICLKQGHSA-N 284.315 2.473 50 40 CEGB O=C(N/N=C/c1ccc2ccccc2c1O)C1CC1 2745418 BSNYXNXXKSVPMO-CXUHLZMHSA-N 254.289 2.406 50 40 CEGB O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2F)cc1 3475254 HKOKGPWMHVUFQJ-RQZCQDPDSA-N 286.262 2.288 50 40 CEGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)OC(C)(C)C 4599365 MWJNNGKDQLDABO-RSYJBZMQSA-N 272.345 2.476 50 40 CEGB Cn1cccc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 6828344 CPYHVOUSCREZCE-PKNBQFBNSA-N 296.286 2.479 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1 254167 KIZKWKQRIRSQSL-CXUHLZMHSA-N 285.303 2.310 50 40 CEGB CCc1cc(C(=O)N/N=C/c2ccc(C)cc2)n(C)n1 96745 XKXIGHCCEVFZAV-MHWRWJLKSA-N 270.336 2.055 50 40 CEGB CC(C)=NO[P@@](N)(=O)N(CCCl)CCCl 5601646 VRULFXSOOPONOG-OAHLLOKOSA-N 276.104 2.245 50 40 CEGB O=C(N/N=C/c1cccc(O)c1)NC1CCCCC1 3246271 UDHXMHHRNQDBDF-XNTDXEJSSA-N 261.325 2.358 50 40 CEGB CC(=O)N/N=C/c1cc(F)c(N2CCCC2)cc1C 6545703 PRSZIBQTCFQWPP-CXUHLZMHSA-N 263.316 2.204 50 40 CEGB C=CCOc1ccccc1/C=N/NC(=O)c1cccnc1 2186643 TWXXWEOLMRBXNX-LDADJPATSA-N 281.315 2.410 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1 408855642 FKQRDUKWPDMYTR-BENRWUELSA-N 273.336 2.265 50 40 CEGB COc1ccc2c(c1)C(C)=CC(C)(C)N2[C@@H](C)C(=O)NN 223825970 UDXFQZIVFWUIKV-NSHDSACASA-N 289.379 2.076 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(F)c(Cl)c1 223715006 WLTQGRVZIXTRIR-UHFFFAOYSA-N 281.718 2.490 50 40 CEGB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Br)CC1 113247666 BXFYYBLGCMLQRM-MRVPVSSYSA-N 292.173 2.350 50 40 CEGB CN(C)CCO/C(CN(C)C)=C(\C#N)c1ccccc1 16932158 APCIACPYEGUHPP-FOCLMDBBSA-N 273.380 2.061 50 40 CEGB CCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 3018112 UITXFWHDAFWFJV-IQFISFIMSA-N 298.342 2.269 50 40 CEGB CC(C)(C)c1ccc(OC/C(N)=N/OC(=O)CCl)cc1 4280875 OHCPHSOLBBOKPN-UHFFFAOYSA-N 298.770 2.417 50 40 CEGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1O 100937142 HADKJZRNEAFHSM-CBYOKJCSSA-N 256.305 2.320 50 40 CEGB C[C@H](Br)[C@H](Br)C[N+](C)(C)C 313502 MKNMPEQOVKGLMP-NKWVEPMBSA-N 274.020 2.240 50 40 CEGB Cc1cccc(NC(=O)CCNC(=O)[C@@H](C)Cl)c1 8733103 CCCTUVITQKCTAV-SNVBAGLBSA-N 268.744 2.067 50 40 CEGB Cc1cc2ccccc2c[n+]1C[C@@H](O)CBr 1666248 WNIDUQKQLPCOBR-ZDUSSCGKSA-N 281.173 2.192 50 40 CEGB O=C(CC1CCCC1)NNC(=O)c1ccc(F)cc1 6338229 SDTKDKZHUYFFNY-UHFFFAOYSA-N 264.300 2.167 50 40 CEGB O=C(CCl)NCc1ccc(Br)cc1 42237537 YRICKEUKTMNBNJ-UHFFFAOYSA-N 262.534 2.304 50 40 CEGB Cn1c(=O)c(C(=O)C(Cl)Cl)c(O)c2ccccc21 100018493 HUCBJFXGPSSFIL-UHFFFAOYSA-N 286.114 2.231 50 40 CEGB CC[C@H](CCl)OCCOCCOCCCl 5468869 HCMSDEVOAYKEPG-SNVBAGLBSA-N 259.173 2.292 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1cc(F)cc(F)c1 100205500 ZFMQPVALOWKRKZ-FPLPWBNLSA-N 252.220 2.347 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2cc(C)oc2C)c(C)o1 15664232 GABCPSKKSOZADI-UHFFFAOYSA-N 276.292 2.181 50 40 CEGB Cc1cc(NC(=O)[C@H](Br)C(C)C)no1 12504971 NNQQBGKWQHWOSY-MRVPVSSYSA-N 261.119 2.341 50 40 CEGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)O[C@H]1CCOC1=O 3254851 JURSFBISRQGGDA-PMDBQALLSA-N 291.690 2.106 50 40 CEGB COc1ccccc1C(=O)N/N=C(\C)c1cccc(N)c1 5382090 KRCRTVPNRKMNMN-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB CN(C)C(C/C=N/OCCOc1ccccc1)=C(C#N)C#N 5524769 JKDXAJZTGCSZAF-DJKKODMXSA-N 298.346 2.321 50 40 CEGB O=S(=O)(CCl)N[C@@H]1CCCc2ccccc21 82512355 KDDXCDJHSXHVAO-LLVKDONJSA-N 259.758 2.180 50 40 CEGB CSC(=S)/C(=C\C(=C=N)C#N)[n+]1ccccc1 409415784 DUXMIFAGUGQJMU-YRNVUSSQSA-N 260.367 2.204 50 40 CEGB CC(C)c1ccc(/C=N\NC(=O)c2cnccn2)cc1 33089288 NXTBPUYKCPMAFP-NVMNQCDNSA-N 268.320 2.364 50 40 CEGB COCc1c(/C=C/C#N)cc(OC)c(OC)c1OC 71621676 FATFVJBPMMUHAY-AATRIKPKSA-N 263.293 2.396 50 40 CEGB C/C(=N/NC(=O)c1ccccc1O)c1cccc(N)c1 112465 QGKOFZZXMFLSJL-YVLHZVERSA-N 269.304 2.128 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1O 4502033 XWFHIXRKHIQEGW-WQLSENKSSA-N 286.331 2.367 50 40 CEGB CC(C)C(=O)NNC(=O)c1csc(-c2cccs2)n1 120751 VDWBKGYVNCQQCN-UHFFFAOYSA-N 295.389 2.289 50 40 CEGB COc1ccc(CN(C(=O)CCl)C2CC2)cc1 4219089 MTGYGBNCPKSKCI-UHFFFAOYSA-N 253.729 2.425 50 40 CEGB COc1ccc(OCC(=O)N/N=C(\C)c2ccccn2)cc1 12588033 JBOBOIPQLZCNDP-LDADJPATSA-N 299.330 2.009 50 40 CEGB CCN(NC(=O)c1cc(C)n[nH]1)c1ccc(C)cc1 48609173 FTDAWKCKRUTTPO-UHFFFAOYSA-N 258.325 2.198 50 40 CEGB CN1CCC[C@@H](OC(=O)/C(C#N)=C\c2ccccc2)C1 6420436 BWRSCUXIIDAKRO-BAAYTWLHSA-N 270.332 2.231 50 40 CEGB O=C1c2cc([N+](=O)[O-])ccc2CC[C@@H]1Br 39418952 IMRXCWIIGSLQJA-VIFPVBQESA-N 270.082 2.487 50 40 CEGB O=C1S[C@H](Nc2ccccc2)C(=O)N1CCCl 12113041 LNLQQSKKOPAPSJ-VIFPVBQESA-N 270.741 2.359 50 40 CEGB CC(C)OC(=O)c1ccccc1NC(=O)CCl 15423221 AZKINXXWMKLUSV-UHFFFAOYSA-N 255.701 2.429 50 40 CEGB COc1ccc([C@H](C)NC(=O)CCl)cc1OC 40433579 KHEFMERSRVETLD-QMMMGPOBSA-N 257.717 2.120 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2ccc3ccccc3n2)n1 11333827 YQNNPCCXSYCKNB-UHFFFAOYSA-N 293.330 2.399 50 40 CEGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccs1 5288727 RAEYEBYYHHRMSB-QQFZQELXSA-N 274.345 2.322 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(OCC)cc1 6389057 IFVPDLRAADCHMQ-UHFFFAOYSA-N 281.381 2.203 50 40 CEGB C=CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1 43776567 ZFMQRIRTFAVTFT-WOJGMQOQSA-N 281.315 2.410 50 40 CEGB O=C(NN=C1CCCCC1)C(=O)Nc1ccccc1F 59434107 HERDKPQWHNUBLD-UHFFFAOYSA-N 277.299 2.201 50 40 CEGB Cc1sc(NC(=O)NNC(=O)CC(C)C)c(C#N)c1C 24647653 NIUAQYPFSJPLJL-UHFFFAOYSA-N 294.380 2.435 50 40 CEGB Cn1cc([C@H]2C[C@@H]2C(=O)NNc2cccc(Cl)c2)cn1 68422827 LWMHZHRSMGKNBY-OLZOCXBDSA-N 290.754 2.320 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1cn(C)c2ccccc12 408862841 IEGAYAOPPCZJHV-JLHYYAGUSA-N 297.358 2.238 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)OC)ccc1C 17129964 DCBYJECVILKFFL-FMIVXFBMSA-N 288.303 2.164 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4[C@@H]5C[C@@H]3[C@@H]1[C@H]5C(=O)[C@@H]42 253390718 DYJXAYHLFCEUAR-KHBGWZHDSA-N 253.139 2.097 50 40 CEGB O=C(Cc1ccsc1)NNc1ccccc1[N+](=O)[O-] 33026398 IJKDIQZFRVFSSU-UHFFFAOYSA-N 277.305 2.342 50 40 CEGB O=C(N/N=C/c1ccncc1)Nc1cccc2nsnc12 336470 WJXFZMZLPYLFCT-OVCLIPMQSA-N 298.331 2.242 50 40 CEGB O=C1C[C@@H](c2ccc(Br)cc2)C(=O)O1 100648347 ZBHDUZUFAITKGD-QMMMGPOBSA-N 255.067 2.006 50 40 CEGB O=C(O)c1ccccc1/C=N/NC(=O)C1CCCC1 15933646 NZYOGIROWSPEMQ-OQLLNIDSSA-N 260.293 2.025 50 40 CEGB CCNC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 8681110 OBBAZFAVESKXEV-QMMMGPOBSA-N 297.449 2.002 50 40 CEGB COc1ccc(OC)c(/C=N\NC(=O)c2ccc(C)o2)c1 33295852 OBJLCGGZJIYKBL-SXGWCWSVSA-N 288.303 2.369 50 40 CEGB O=C(Cl)C1=C[C@](F)([N+](=O)[O-])[C@@H](F)C(F)=C1F 98044325 MDXKFNVIQNUEAY-FSPLSTOPSA-N 259.542 2.123 50 40 CEGB C[C@@H](C(=O)NN)N1c2cc(F)ccc2[C@H](C)CC1(C)C 260722731 RWWSESANQVZSOU-ZJUUUORDSA-N 279.359 2.296 50 40 CEGB O=C(NNC(=O)[C@H]1CC=CCC1)c1cccc(Cl)c1 8851618 MXPXHFOUAPUMNM-JTQLQIEISA-N 278.739 2.457 50 40 CEGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O 98926 JQXWIOSLMWABPM-YFHOEESVSA-N 283.243 2.247 50 40 CEGB C/C(=N/NC(=O)Cc1ccccc1)c1cc(O)ccc1O 22017009 IZLXWFNWVXCNPV-BOPFTXTBSA-N 284.315 2.181 50 40 CEGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1 12823474 QGGPOZZIOIVCPO-UHFFFAOYSA-N 297.289 2.382 50 40 CEGB O=C(NCCCNCc1ccccc1)C(Cl)Cl 4679585 QZNPRQNZGDNHOY-UHFFFAOYSA-N 275.179 2.086 50 40 CEGB O=[N+]([O-])c1ccccc1C1=NO[C@H](CBr)C1 217842649 OJRASNUMAHZFMI-ZETCQYMHSA-N 285.097 2.483 50 40 CEGB CS(=O)(=O)c1c(F)cccc1CBr 115048145 OCBYBXSGROIOGE-UHFFFAOYSA-N 267.119 2.124 50 40 CEGB Cc1nc(N)sc1C(=O)N/N=C/c1cccc(Cl)c1 139683 ROAKTVOZPKMLIG-GIDUJCDVSA-N 294.767 2.451 50 40 CEGB O=C(Cc1ccccc1)NNC(=O)Nc1ccccc1F 25060965 QKRFTAICSYPOCE-UHFFFAOYSA-N 287.294 2.221 50 40 CEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1 409161190 KQBCUYZNQZAWOP-LICLKQGHSA-N 282.299 2.108 50 40 CEGB O=C(Cl)c1cc(Br)cc2n[nH]nc12 73633832 VPJYGDSJQONMJL-UHFFFAOYSA-N 260.478 2.099 50 40 CEGB COc1cc(/C=C(\C#N)C(N)=S)cc(Cl)c1O 15009451 CGENYDHETDYLAH-FARCUNLSSA-N 268.725 2.247 50 40 CEGB O=C(CCl)Nc1ccc(CN2CCCC2)cc1 4218696 RTATUWUKFTXNDU-UHFFFAOYSA-N 252.745 2.460 50 40 CEGB in-vitro CC1=C/C(=N\NC(=O)c2n[nH]c3c2CCCC3)CC1 10852057 CBTDJOSMSKYSDY-GDNBJRDFSA-N 258.325 2.114 50 40 CEGB O=C(NNc1ncccn1)[C@H]1CCCC[C@H]1C(F)(F)F 48696293 XEUAPKNCDLXUAI-DTWKUNHWSA-N 288.273 2.288 50 40 CEGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc[nH]2)c1 409361104 GQSUZJKLRCGPRQ-LICLKQGHSA-N 255.321 2.324 50 40 CEGB CC(C)/C(=N/NC(=O)CC1(C)OCCO1)c1ccccc1 408587022 DOGRBVIEXXCDKZ-SDXDJHTJSA-N 290.363 2.316 50 40 CEGB C[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1 31937758 BZXRNTVNPSZQTQ-CHHVJCJISA-O 289.186 2.150 50 40 CEGB NNC(=O)c1cccn1-c1ccc(Cl)c(Cl)c1 223728537 KXWPGHIJWDEGKV-UHFFFAOYSA-N 270.119 2.388 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)NCc1ccccc1 5068823 PPOZKKRPVCVLTC-OQLLNIDSSA-N 263.300 2.305 50 40 CEGB C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc(N)cc1 13590158 KJTRPBROKPJFMY-VCHYOVAHSA-N 297.362 2.025 50 40 CEGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cnccn1 381525 VNWHBWCPUZBTLL-FBCYGCLPSA-N 294.236 2.259 50 40 CEGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccccc1OC 59515769 QIHDEXOGLUXGTD-BOPFTXTBSA-N 291.351 2.316 50 40 CEGB COc1ccc(OC)c(C[C@@H](Br)C(=O)O)c1 107843400 PLYPARMGOMBDJO-SECBINFHSA-N 289.125 2.094 50 40 CEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 5620919 PXVXLQWHOFQEBJ-GZTJUZNOSA-N 298.302 2.073 50 40 CEGB CN(/N=C/c1ccc2c(c1)OCO2)C(=O)c1ccccc1N 1574639 NOISANGKXMAJFH-GIJQJNRQSA-N 297.314 2.104 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 103212 NOCGHJRYUCYMHR-WOJGMQOQSA-N 282.347 2.099 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)NN=Cc2cccnc2)c1 23397261 FTWXJARYIPHSNV-CYBMUJFWSA-N 283.331 2.308 50 40 CEGB CC1=C[C@]2(Nc3ccc(C)c(C)c3O2)C(C#N)=C(N)O1 40546478 MSZQMHJIBHLYIR-OAHLLOKOSA-N 269.304 2.432 50 40 CEGB N#CC1=C(N)Oc2ccc(Cl)cc2[C@@H]1C(C#N)C#N 58151 LUHSXKVJMVDOMF-LBPRGKRZSA-N 270.679 2.173 50 40 CEGB O=C(NNC(=O)c1cccs1)c1ccc(Cl)cc1 320225 CRYVJIQYXBVRIF-UHFFFAOYSA-N 280.736 2.476 50 40 CEGB O=C(OCCBr)c1ccc([N+](=O)[O-])cc1 1719469 BBSUABROLDVKMB-UHFFFAOYSA-N 274.070 2.147 50 40 CEGB CSC1=C(C#N)[C@H](c2ccsc2)CC(=O)N1 1300697 DFTIKKHYGZWNGF-QMMMGPOBSA-N 250.348 2.450 50 40 CEGB C[C@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CC(=O)O 108359617 CQENDPLRWOGOPD-WKNZSSQBSA-N 275.142 2.230 50 40 CEGB N#CCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 4549975 QPLHTAXGXCGHJQ-UHFFFAOYSA-N 279.299 2.028 50 40 CEGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CC1 511173 BJRRKRXUCGHUGX-CXUHLZMHSA-N 254.289 2.406 50 40 CEGB CC1=C(C#N)[C@](Nc2cccc(C)n2)(C(F)(F)F)C(=O)N1 4437120 FZGLVUJIGDXWJY-GFCCVEGCSA-N 296.252 2.030 50 40 CEGB COc1c(C)cccc1C(=O)N/N=C/c1cccnc1 3155726 NGNCVUJNFYYUCM-LICLKQGHSA-N 269.304 2.163 50 40 CEGB CCCCCCCC(=O)NNS(=O)(=O)c1ccccc1 100961315 NOYVOODJQXFYSQ-UHFFFAOYSA-N 298.408 2.357 50 40 CEGB O=C1S/C(=C\c2ccccc2)C(=O)N1C[C@@H](O)CCl 2274985 PQPDFXCCHCUXAG-OYUORYAFSA-N 297.763 2.323 50 40 CEGB O=C1Nc2ncccc2O[C@@H]1CCCCBr 63110800 RIAUGVNGKLJHGR-SECBINFHSA-N 285.141 2.346 50 40 CEGB O=C(CCl)NCCc1ccc(OC(F)F)cc1 8983667 BNWHWEFDRPJOTG-UHFFFAOYSA-N 263.671 2.186 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 100040633 BJDCWCLMFKKGEE-FMFSELDHSA-N 284.352 2.187 50 40 CEGB Cc1csc(CNC(=O)/C(C#N)=C\c2ccco2)n1 45897089 FWTHXMJMNMFEBU-YHYXMXQVSA-N 273.317 2.268 50 40 CEGB O=C(Cc1cccc2ccccc12)NNC(=O)C(F)(F)F 486775 LOUHPZRWBGDODH-UHFFFAOYSA-N 296.248 2.092 50 40 CEGB CC(=O)NNC(=O)c1ccccc1Nc1ccc(F)cc1 9607515 AWZNKDDJKIKSEC-UHFFFAOYSA-N 287.294 2.350 50 40 CEGB CCC(=O)NNC(=S)Nc1ccc(Cl)cc1 6396423 SRUHAPSNUDQANH-UHFFFAOYSA-N 257.746 2.068 50 40 CEGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccccc1 409378564 QFBROSLLUNSUIN-QGOAFFKASA-N 273.380 2.449 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCOC1 66899459 MSWWFHARSSANBZ-MRVPVSSYSA-N 274.242 2.185 50 40 CEGB CN1CCCS/C1=C(/C#N)c1nc2cccnc2n1C 1099623 QLDUBVDWKKARPV-UVTDQMKNSA-N 285.376 2.229 50 40 CEGB O=C(O)[C@H](Br)CCCCBr 5500947 DQULMCCESHRDMR-RXMQYKEDSA-N 273.952 2.400 50 40 CEGB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCl 8037221 UQSCBSZZNMLGLP-UHFFFAOYSA-N 269.728 2.045 50 40 CEGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(O)cc1 4750701 HBNYXEZMTVGDPN-MHWRWJLKSA-N 270.288 2.252 50 40 CEGB COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1 33297342 VMMWLLMFKPISCN-BOPFTXTBSA-N 284.315 2.224 50 40 CEGB CNc1ccccc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 31723738 VXGCABIGJRAMHU-YVLHZVERSA-N 298.302 2.400 50 40 CEGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)cc2O)c(C)c1 216046285 BZRDBXJEPXCTGJ-ZDLGFXPLSA-N 298.342 2.407 50 40 CEGB O=[N+]([O-])c1ccc(C2=NO[C@@H](CBr)C2)cc1 217842961 OLLSYHBRBHUEAP-SECBINFHSA-N 285.097 2.483 50 40 CEGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N)cc2)c1 45712 OGMWZKVRQZGDQW-VCHYOVAHSA-N 299.330 2.050 50 40 CEGB C/C(=N/NC(=O)c1cccs1)c1cccc(N)c1 65198 PMLFYBIRTNZFGK-DHDCSXOGSA-N 259.334 2.484 50 40 CEGB COc1ccc2ccc(OC)c(/C=C(/C#N)C(N)=O)c2c1 4544216 VUNMBACVFRILEH-XFFZJAGNSA-N 282.299 2.249 50 40 CEGB CCC(=O)Oc1ccc(/C=C(\C#N)C(=O)OC)cc1OC 144517 GDNZTTTWTCWGGS-YRNVUSSQSA-N 289.287 2.091 50 40 CEGB O=C(N/N=C/c1cccnc1)c1ccc(Cl)cc1 238911 UHWSXSDVYCBCKO-CXUHLZMHSA-N 259.696 2.499 50 40 CEGB Cc1ccc(-c2ccc(/C=N/NC(N)=O)o2)c([N+](=O)[O-])c1 103659882 AQFHPKZPMNQNEP-VIZOYTHASA-N 288.263 2.165 50 40 CEGB CCOc1cc2c(cc1CNC(=O)CCl)O[C@H](C)C2 4219121 YTYMCNNUFXKNBY-SECBINFHSA-N 283.755 2.264 50 40 CEGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)C(C)(C)C 4502890 VISNKAIREWJLCC-BVTUPMQUSA-N 276.336 2.365 50 40 CEGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc2ccccc2n1 73258356 RCTRMVXQLRNRSN-KPKJPENVSA-N 271.283 2.402 50 40 CEGB CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCl)C1 79408810 DAQLEUKVQRINQZ-JTQLQIEISA-N 290.791 2.083 50 40 CEGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1O 40839736 NMJRWEJFXCBJOQ-YVLHZVERSA-N 284.315 2.473 50 40 CEGB COC(=O)Cc1ccc(CBr)c(F)c1 169796740 NWAOHHXNRPBVII-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB CN(C)C[C@@H]1CCCCC[C@H](Br)C1=O 5119399 LYTSDVPPPFCMCZ-UWVGGRQHSA-N 262.191 2.461 50 40 CEGB N#CC1=C(N)C2=C(N3CCCCC3)CCC[C@H]2C1(C#N)C#N 19287093 UCSYIAIYVYABMU-GFCCVEGCSA-N 293.374 2.310 50 40 CEGB CCc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)nc1 6168901 LGBKGNWLHYQRNV-VCHYOVAHSA-N 297.314 2.106 50 40 CEGB CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl 46186 SMEYNTSUSRMJQS-UHFFFAOYSA-N 261.108 2.164 50 40 CEGB N#CSc1ccc(S(=O)(=O)O)c2cccnc12 6143896 CAMRZXWYBBXBEI-UHFFFAOYSA-N 266.303 2.055 50 40 CEGB Cc1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1 32639067 ZAYBOHZHQUPBKZ-LTKMBJGESA-N 296.326 2.285 50 40 CEGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccnn1C(C)C 23258425 HOIKTKZABBPAIV-RIYZIHGNSA-N 297.362 2.264 50 40 CEGB O=C(NNc1ncccn1)[C@@H]1CCCC[C@@H]1C(F)(F)F 48696290 XEUAPKNCDLXUAI-BDAKNGLRSA-N 288.273 2.288 50 40 CEGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccc([N+](=O)[O-])cc1 5672667 DZAOIJYWNASQHZ-YJZPIKQGSA-N 271.276 2.277 50 40 CEGB COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1 71857482 RWKNIMGGBSCYST-NUBYWOLOSA-N 276.311 2.192 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1 408795177 BPDZJMYMHZHKEK-ZECSTPGPSA-N 286.331 2.295 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(OC/C=C/Cl)cc1 3158001 UWVDYKWJHILDCT-UPLINRFKSA-N 277.711 2.182 50 40 CEGB COC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 2631466 IWIQHRDUUQAHNB-RSSMCMFDSA-N 268.141 2.072 50 40 CEGB O=C(NNc1ncccn1)[C@@H]1CCCC[C@H]1C(F)(F)F 48696292 XEUAPKNCDLXUAI-RKDXNWHRSA-N 288.273 2.288 50 40 CEGB O=C(NNC(=O)C1CC1)c1cc(Cl)ccc1Cl 5066394 UUYUDLBVBJIDSX-UHFFFAOYSA-N 273.119 2.164 50 40 CEGB C/C(=N\NC(=O)Cc1ccc(F)cc1)c1ccncc1 5381560 CFMCWWRPDIMWBG-WOJGMQOQSA-N 271.295 2.304 50 40 CEGB N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NC1CC1 213317498 SPILCAMTVAAMNP-MDWZMJQESA-N 266.300 2.191 50 40 CEGB COCCOCc1cc(Cl)nc(CCl)n1 95094006 PXKVDJVPBBRVOO-UHFFFAOYSA-N 251.113 2.032 50 40 CEGB N/C(CCl)=N\OC(=O)c1ccccc1CCl 4289123 WTBBDGYHKXSVHI-UHFFFAOYSA-N 261.108 2.093 50 40 CEGB NNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 135561 IMHUPMPJPMDKLT-UHFFFAOYSA-N 266.684 2.116 50 40 CEGB O=C(CSc1ccccn1)N/N=C/c1ccccc1O 195865 UDJNEVSUKFFJTE-CXUHLZMHSA-N 287.344 2.030 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1 4953483 KRWVMPMOIJUORO-MISXGVKJSA-N 276.380 2.316 50 40 CEGB COc1ccccc1NC(=O)NNc1nc(C)cc(C)n1 16500174 JVAWDZDEAFSBDC-UHFFFAOYSA-N 287.323 2.251 50 40 CEGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccco1 3430488 RBATZPZASGTBND-UHFFFAOYSA-N 296.685 2.076 50 40 CEGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccccc1[N+](=O)[O-] 6336015 NGJYTQHVQCJDMC-ULVWRBEMSA-N 271.276 2.277 50 40 CEGB Cc1cc2c(c(=O)o1)[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 4935470 GEFMXKGETPFUHA-ZWNOBZJWSA-N 284.315 2.474 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1ccccc1OCC#N 7044066 AARMMNYRTSNXKV-MHWRWJLKSA-N 275.308 2.448 50 40 CEGB C[C@]1(C(=O)O)CC[C@@H](C(Cl)Cl)[C@@]1(C)CO 575602803 XISNCNTUJWCECA-WQGWLQIFSA-N 255.141 2.290 50 40 CEGB CSC(=O)N/N=C1\CCCC\C1=N/NC(=O)SC 5527644 RVQWXTAIAWJUBC-MKICQXMISA-N 288.398 2.418 50 40 CEGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1 15931054 DRRYGRDLHFBOTK-CPNJWEJPSA-N 295.342 2.474 50 40 CEGB O=C(CCc1ccco1)NNC(=O)c1c[nH]c2ccccc12 22190837 XRIYDBFQKRNINV-UHFFFAOYSA-N 297.314 2.155 50 40 CEGB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NN(C)c1ccccc1 65577049 VWRKYTBNHHTTHG-HIFRSBDPSA-N 292.379 2.128 50 40 CEGB CCn1c([P@@](=O)(O)c2ccccc2)nc2ccccc21 8680949 FLAKOFDOODNDHM-UHFFFAOYSA-N 286.271 2.277 50 40 CEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 408802536 YNEXOORKKBDTQT-XNFYSYIQSA-N 272.304 2.206 50 40 CEGB CCOP(=O)(c1ccccc1O)c1ccccc1O 2807254 ZAVGKDCERLUKNV-UHFFFAOYSA-N 278.244 2.363 50 40 CEGB biogenic CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCl 83318427 KYVISGDNMLUVHY-NXEZZACHSA-N 290.791 2.177 50 40 CEGB CC(=O)CCOC[C@@H](Br)C(F)(F)F 1083808044 WZPHVCVYGBKHNR-ZCFIWIBFSA-N 263.053 2.308 50 40 CEGB COC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1 5809981 SMNXRFVUHAVDJG-OVCLIPMQSA-N 283.715 2.401 50 40 CEGB CC(=O)N(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 49970 ZBJSTHQFAFCDFI-UHFFFAOYSA-N 299.286 2.293 50 40 CEGB Cc1occc1C(=O)N/N=C/c1ccc(N(C)C)cc1 249432 LIUDZNAFBRMBNI-MHWRWJLKSA-N 271.320 2.418 50 40 CEGB O=C(NCCc1ccc(F)cc1)NNc1ccccn1 12545590 PXKZCPYUUBMAME-UHFFFAOYSA-N 274.299 2.090 50 40 CEGB Cc1ccc(C)c(/C=N/NC(=O)c2cccnc2)c1 3335030 IYJDERXMBHXYJV-LICLKQGHSA-N 253.305 2.462 50 40 CEGB O=C(CC1CCCCC1)NNC(=O)c1ccco1 4553343 RYRRPLVWEDKUHL-UHFFFAOYSA-N 250.298 2.011 50 40 CEGB CC(C)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 18097516 JRHSQCYCTFIFCZ-UHFFFAOYSA-N 275.135 2.410 50 40 CEGB COC(=O)/C(C#N)=C/c1c[nH]c(-c2ccccc2)n1 96298500 FFGIDIUBVINBKO-YRNVUSSQSA-N 253.261 2.157 50 40 CEGB C[C@H]1CC(C)(C)N(CC(=O)NN)c2ccc(Cl)cc21 223189710 QGRBIVDAEMFUKD-VIFPVBQESA-N 281.787 2.422 50 40 CEGB O=C(CCCl)N1CCc2cc([N+](=O)[O-])ccc21 4280418 ZXNPPIQKYURSQG-UHFFFAOYSA-N 254.673 2.113 50 40 CEGB O=C(NNC(=O)c1ccc(Cl)cc1F)c1ccco1 7959961 VDCKOZMCGDNOKG-UHFFFAOYSA-N 282.658 2.147 50 40 CEGB Cc1cccc(C)c1OCc1ccc(C(=O)NN)cc1 4294117 KMUAHUDITDEIQQ-UHFFFAOYSA-N 270.332 2.486 50 40 CEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccnc2)c1 5163206 VQTVIRSSVIYHEZ-YBFXNURJSA-N 296.330 2.194 50 40 CEGB CC(C)(C)c1ccc(O)c(/C=N\NC(=O)c2cnccn2)c1 5632513 DERHDRMIVHVHPY-OCKHKDLRSA-N 298.346 2.244 50 40 CEGB COc1ccccc1NC(=O)NNC(=O)C1CCCCC1 6928358 CEGRFLXWSNUYTP-UHFFFAOYSA-N 291.351 2.428 50 40 CEGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccccc2)cc1 39206928 CEYJSBLBUMRACI-UHFFFAOYSA-N 292.342 2.451 50 40 CEGB CC(=O)NNc1nc2ccccc2n1-c1ccccc1 216961695 FQLSZCWELGLVIX-UHFFFAOYSA-N 266.304 2.489 50 40 CEGB IC[C@H]1Cc2ccccc2N1 14983046 FTDKWBOHZIGPCX-MRVPVSSYSA-N 259.090 2.458 50 40 CEGB COc1ccccc1/C=N\NC(=O)c1ccccc1 16970351 AIIBNESYBYQXIS-WJDWOHSUSA-N 254.289 2.459 50 40 CEGB Cc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1 130134 FNNFASHFUHPODF-UHFFFAOYSA-N 298.342 2.143 50 40 CEGB O=C(CCl)NNC1=Nc2ccc(Cl)cc2SC1 1613497 WUZDANVJQDAKKX-UHFFFAOYSA-N 290.175 2.335 50 40 CEGB C[N+](C)(CCCl)CCOC(=O)c1ccccc1 1690227 MQOHZBMLYFOGNZ-UHFFFAOYSA-N 256.753 2.159 50 40 CEGB CCC(=O)OC[C@@H](Br)CBr 2045596 AQDCQWKURLTSAY-YFKPBYRVSA-N 273.952 2.098 50 40 CEGB O=C(CO)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 4525750 QNOQNUPQPMMVDH-CHHVJCJISA-N 278.695 2.042 50 40 CEGB COC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(F)c1F 96298373 UFXYJUFELLXKAY-CAXXOGMASA-N 280.274 2.023 50 40 CEGB COc1cccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1 409205617 IUFVUOBHKQRMCO-QUYZQLMHSA-N 293.326 2.453 50 40 CEGB COC(=O)/C(=N/Nc1ccc(C)c(C)c1)C(=O)CCl 16711653 SBPPLXHCYVOWGJ-FOWTUZBSSA-N 282.727 2.052 50 40 CEGB C/C(=N/NC(=O)c1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 5342792 XDNDJILXGNREEG-BOPFTXTBSA-N 298.302 2.452 50 40 CEGB CC1=C(C#N)C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N1 100150038 SISCSBLAKLUREN-GFCCVEGCSA-N 296.252 2.030 50 40 CEGB O=S1(=O)CC[C@@H](Br)c2ccccc21 4918126 ZHYCHVKKGAAZFS-MRVPVSSYSA-N 261.140 2.300 50 40 CEGB COc1ccc(OC)c(/C=N/NC(=O)Cc2ccccc2)c1 512027 DCTGRFDLYPIRJF-LDADJPATSA-N 298.342 2.397 50 40 CEGB O=C(N[C@@H](O)C(Cl)Cl)c1ccc(Cl)cc1 3109706 MIPFLOQARPRKRZ-VIFPVBQESA-N 268.527 2.192 50 40 CEGB Cc1ccc(NC(=O)CCCSS(=O)(=O)O)cc1 2274558 DKGZPVIWQMPSPR-UHFFFAOYSA-N 289.378 2.250 50 40 CEGB Cc1cc2c(c(=O)o1)[C@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 12954191 NKURIEFMYPJUGJ-ZWNOBZJWSA-N 284.315 2.474 50 40 CEGB CCOC(=O)c1c(C)sc(SC#N)c1NNC(C)=O 5473949 DBPVTJKSADRFRJ-UHFFFAOYSA-N 299.377 2.269 50 40 CEGB COc1c(Cl)cc(/C=C/C(=O)NN)cc1Cl 216943466 IKMPVJLDODKMBV-NSCUHMNNSA-N 261.108 2.005 50 40 CEGB COc1ccc(/C=N\NC(=O)Cc2cccs2)cc1 33322767 QANFDVFAQQCQMU-GDNBJRDFSA-N 274.345 2.450 50 40 CEGB CS(=O)(=O)c1ccc(C(=O)Cl)c(Cl)c1 38285005 CLCPHXRHYYEUME-UHFFFAOYSA-N 253.106 2.123 50 40 CEGB in-vitro O=C(OC(=O)C(F)(Cl)Cl)C(F)(Cl)Cl 143113035 CLVOKBHXNYFKBQ-UHFFFAOYSA-N 275.849 2.258 50 40 CEGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC=O 5361039 RAPBAVAXIJPJSH-LZYBPNLTSA-N 267.716 2.099 50 40 CEGB N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)C(N)=O 101483311 NMMLEAXLBIFOOE-AATRIKPKSA-N 256.092 2.298 50 40 CEGB O=[N+]([O-])c1cc([N+](=O)[O-])c(N=C=S)c([N+](=O)[O-])c1 68562950 JTAADRCTUHJDFL-UHFFFAOYSA-N 270.182 2.146 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@H]2CC[C@@H]1C2 4143536 LMDYJALQGMNNBR-LQTLPLJTSA-N 287.319 2.430 50 40 CEGB COP(=O)(CCC(=O)O[Si](C)(C)C)OC 201272796 LDCDLUQMMWYKPC-UHFFFAOYSA-N 254.295 2.241 50 40 CEGB CCOC(=O)[C@@H](Br)C(=O)c1cccc(F)c1 16158319 XSWOVUXAXVXYJM-VIFPVBQESA-N 289.100 2.335 50 40 CEGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccc(F)cc1 20031207 WWSOPVJNQRFZIN-UHFFFAOYSA-N 291.242 2.278 50 40 CEGB Cc1noc(C)c1CCI 2565625 UQHKDFGFMKDTBO-UHFFFAOYSA-N 251.067 2.269 50 40 CEGB O=C(COc1ccc(Br)cc1)N=C=S 70461498 KNOMVKFTXHINEZ-UHFFFAOYSA-N 272.123 2.457 50 40 CEGB N#CCC(=O)N/N=C\c1ccc(N2CCCCC2)cc1 33779191 UKSKDDXDZJCVHB-ATVHPVEESA-N 270.336 2.041 50 40 CEGB COc1ccc(OCC(=O)N/N=C2/C[C@H]3C=CC[C@H]23)cc1 38586256 NGUISIISESAFAS-WSODJUFQSA-N 286.331 2.142 50 40 CEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc([N+](=O)[O-])o1 83312071 FBSZQGYAHWERGY-NVNXTCNLSA-N 291.238 2.020 50 40 CEGB CN(C)C[C@H]1CCCCC[C@@H](Br)C1=O 5119403 LYTSDVPPPFCMCZ-NXEZZACHSA-N 262.191 2.461 50 40 CEGB CC1=C(C(=O)O)[C@H](c2ccc(O)cc2)C(C#N)=C(S)N1 32010859 WAGACPAKBMNOTP-GFCCVEGCSA-N 288.328 2.103 50 40 CEGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1cccnc1 6492755 PVBULABVPCUROX-PDGQHHTCSA-N 282.347 2.302 50 40 CEGB Cc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409162486 VUEWRDLOVSTRDI-VCHYOVAHSA-N 296.326 2.417 50 40 CEGB C=CCOc1c(Cl)cc(/C=N/NC(C)=O)cc1OC 4545346 ATCKMWBQEYOAAF-OVCLIPMQSA-N 282.727 2.383 50 40 CEGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(C)o2)c1 409373683 XZIIDRBPWRGAJQ-GZTJUZNOSA-N 282.299 2.364 50 40 CEGB C/C(=N\NC(=O)CN1CCCCC1)c1cccs1 408870814 XCXKHXHDBVKQGM-SDNWHVSQSA-N 265.382 2.074 50 40 CEGB CCS(=O)(=O)c1ccc(CBr)cc1 72220990 PCDCAUSAEZLPSV-UHFFFAOYSA-N 263.156 2.375 50 40 CEGB CCOC(=O)/C(C#N)=C(/C)c1ccc(O)c(OC)c1 17176022 DGMQBLLKVDZUDE-LUAWRHEFSA-N 261.277 2.261 50 40 CEGB COc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1 290218 UVZAWNGBCCZSNK-UHFFFAOYSA-N 284.315 2.078 50 40 CEGB O=C(CSc1ccccc1)NNC(=O)c1cccs1 577880 NQUMBHIIOOUHEE-UHFFFAOYSA-N 292.385 2.301 50 40 CEGB CC(C)CC(=O)NNC(=O)CSCc1ccc(F)cc1 24587995 OYAXRUXMCHJZMU-UHFFFAOYSA-N 298.383 2.252 50 40 CEGB C/C(=N\NC(=O)c1ccccc1C(=O)O)c1ccc(O)cc1 4520465 UJYQERGCDQOHIR-LICLKQGHSA-N 298.298 2.244 50 40 CEGB CC(C)=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1 4714675 YIYWPRQVCZFJLG-UHFFFAOYSA-N 281.337 2.340 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]1C1CCC2(C(=O)Nc2ccccc2)CC1 97956218 MCYLMCCHGWYKOY-CKGMOZDNSA-N 299.326 2.131 50 40 CEGB O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)c1ccccn1 12360593 PNVWPYJUHCMIFZ-GQOOKZHNSA-N 296.286 2.419 50 40 CEGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 13382277 GDHGWMHWJIIZAI-ZUCBPKHASA-N 296.286 2.419 50 40 CEGB O=C(O)CC[C@@H](Br)C(=O)c1ccccc1 17428821 VSRWEJNGQWEPPH-SECBINFHSA-N 271.110 2.498 50 40 CEGB C/C(=N\NC(=O)CNc1ccccc1)c1ccc(O)cc1O 6361622 KJWQRDSHKQAYDI-WOJGMQOQSA-N 299.330 2.050 50 40 CEGB NNC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1 1438167 CGKQQQVVIOMTOY-UHFFFAOYSA-N 289.722 2.196 50 40 CEGB CC[C@H](Oc1c(Cl)cccc1Cl)C(=O)NN 6596262 WDHQNCOSYOLCNW-QMMMGPOBSA-N 263.124 2.141 50 40 CEGB O=S(=O)(CCl)N[C@H]1CCCc2ccccc21 82512354 KDDXCDJHSXHVAO-NSHDSACASA-N 259.758 2.180 50 40 CEGB C#CC1(OC[C@@H](CCl)OC(N)=O)CCCCC1 1702065 YKJIYFHEFBYUIE-SNVBAGLBSA-N 259.733 2.042 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 567408 KSWAIHYKOFRUQD-MKMNVTDBSA-N 256.092 2.357 50 40 CEGB Cc1cccc(N2CCN(C(=O)CCl)C[C@H]2C)c1 70638501 APOUHHSSGXHSMV-GFCCVEGCSA-N 266.772 2.271 50 40 CEGB CCn1cccc1/C=N\NC(=O)Cc1ccc(F)cc1 409231078 BEYKXBYPOOZLRT-BOPFTXTBSA-N 273.311 2.340 50 40 CEGB O=C1c2cc(F)cc([N+](=O)[O-])c2O[C@@H]1Br 169804098 XVBMDSVXHXVGAH-QMMMGPOBSA-N 276.017 2.030 50 40 CEGB CCN1CCC(=NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 4155292 RMYOCFMZUYVMAS-HZPDHXFCSA-N 285.391 2.378 50 40 CEGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)[nH]1 286407 AJHOEZNEPIPTBI-NTUHNPAUSA-N 269.304 2.448 50 40 CEGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1=NN=CC1 5943849 QCGLSUKRLBOFTD-GIDUJCDVSA-N 283.118 2.274 50 40 CEGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 15902384 DMQNEJADIPZSHO-LJVYNOFUSA-N 290.407 2.396 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)Nc1nccs1 5070298 RNCJHSLXWWNCDB-UXBLZVDNSA-N 256.290 2.084 50 40 CEGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1cccs1 5582302 WZGWBWDVURXRND-XNTDXEJSSA-N 293.392 2.037 50 40 CEGB Oc1cc(CCl)nc(C2(COC3CCOCC3)CC2)n1 217795898 DOGVQBCRKMNVLI-UHFFFAOYSA-N 298.770 2.148 50 40 CEGB NNC(=O)Cc1cccc(-c2nc3ccccc3o2)c1 41127583 CVPAXFKTMGQSHN-UHFFFAOYSA-N 267.288 2.027 50 40 CEGB CCc1ccc2c(c1)N[C@]1(C=C(C)OC(N)=C1C#N)O2 40546283 FKPLZJVTYODIOR-OAHLLOKOSA-N 269.304 2.377 50 40 CEGB C/C(=C\C(=O)c1ccccc1)NNC(=O)C(C)(C)C 6013689 YXZWEOPRZYTYRV-ZHACJKMWSA-N 260.337 2.440 50 40 CEGB COC1=C[C@@H]2[C@H](C=C1OC)CCN1C=C(C#N)[C@H](C#N)C[C@H]21 5519303 FVPFORLPDFYWHZ-DDHJSBNISA-N 297.358 2.318 50 40 CEGB CCCc1n[nH]c2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 4370847 MTHBXTRAXHPTSN-LLVKDONJSA-N 270.292 2.173 50 40 CEGB C/C(=N\NC(=O)c1ccoc1C)c1cccc(O)c1 369852 QFLFRAUWCRKZKL-OQLLNIDSSA-N 258.277 2.448 50 40 CEGB CO[C@@H](C(=O)N/N=C/c1ccco1)c1ccccc1 59502256 LUHBATGLZWDPJZ-QQFZQELXSA-N 258.277 2.117 50 40 CEGB CCN1NCC(/C=N/NC(=O)/C(C)=C/c2ccccc2)=C1C 5597960 QFYIYYVFIAERTR-HWVXOFFASA-N 298.390 2.306 50 40 CEGB COC(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2 8053577 YGZMJGNGSDGQHJ-KRXBUXKQSA-N 265.652 2.149 50 40 CEGB O=C(Cn1cnc2ccccc21)N/N=C\C=C/c1ccco1 19901439 FSSQDMAPQWPLIY-XCEVYOMPSA-N 294.314 2.445 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccoc2C)c1O 67425 SJDJKKUWANCWBH-OVCLIPMQSA-N 274.276 2.066 50 40 CEGB O=C(CCl)Nc1cccc(I)c1 3223820 RTCFRHNFYYNTGR-UHFFFAOYSA-N 295.507 2.469 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@H]23)cc1 4156246 VBFALWUUEFFNMJ-RXASSTCNSA-N 256.305 2.377 50 40 CEGB COC(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@H](C)O2 96812257 MKZPROMKFDRFCR-IWKZGAEBSA-N 273.288 2.099 50 40 CEGB C/C(=C/C(=O)c1ccc(C)cc1)NNC(=O)C1CC1 408956227 PYEDCFDXAXQLKB-LUAWRHEFSA-N 258.321 2.112 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1ccccc1 31829244 LUKSFLWQOOVCOS-WJDWOHSUSA-N 254.289 2.216 50 40 CEGB O=C(Cl)C1=C[C@@](F)([N+](=O)[O-])[C@@H](F)C(F)=C1F 98044323 MDXKFNVIQNUEAY-CAHLUQPWSA-N 259.542 2.123 50 40 CEGB CC(C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 14595794 ZSLOXDPUVULNTK-UHFFFAOYSA-N 278.396 2.396 50 40 CEGB O=C(N/N=C\c1ccccc1O)c1ccc(F)cc1 15223141 RUTGLVQMWKQSCD-SXGWCWSVSA-N 258.252 2.295 50 40 CEGB COC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(C)s1 135575 RGAQXWOEDBKDOZ-CLTKARDFSA-N 252.251 2.045 50 40 CEGB Cc1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1 512434 GFNSMBIMZPZUNL-UHFFFAOYSA-N 290.363 2.102 50 40 CEGB CCCCCCC(=O)N/N=C(\C)c1c(O)cc(C)oc1=O 102126111 XWHORRRAYXGQDE-LFIBNONCSA-N 294.351 2.464 50 40 CEGB O=C(N/N=C/C1=Cc2ccccc2OC1)c1ccncc1 5561047 FDBZLPRSGDWVEK-VCHYOVAHSA-N 279.299 2.273 50 40 CEGB CCNC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408567939 QRSQMMANIDTKNB-UHFFFAOYSA-N 292.217 2.260 50 40 CEGB CC(C)C(=O)NNC(=O)Nc1cccc(Cl)c1 9762725 HINIIELKBCZMTN-UHFFFAOYSA-N 255.705 2.149 50 40 CEGB CC(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1 409016145 SNAPMPWCRHCOET-LZYBPNLTSA-N 286.287 2.423 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 45952464 FJPBCYGWGMVVBE-SSDOTTSWSA-N 258.104 2.458 50 40 CEGB CCOC(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 5956154 MJWJQNNNSOEOTB-YNKPAJJNSA-N 263.253 2.340 50 40 CEGB N#C/C(=C\C=C\c1ccccc1)c1n[nH]c(N)c1C#N 5387558 PCZNEMOSQOFJRR-HCFISPQYSA-N 261.288 2.484 50 40 CEGB CC(=O)C12[C@H]3C=C[C@H]4[C@@H]3[C@@H]3[C@@H]1C=C[C@H]3C42C(=O)CCl 104289105 HNGCLNVZBDVNLW-LVCPLRASSA-N 274.747 2.234 50 40 CEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccs1 107702511 IKSLGUMFFHIXRH-ZROIWOOFSA-N 289.316 2.349 50 40 CEGB COC(=O)[C@@]12CC[C@@](CBr)(C(=O)C1)C2(C)C 26438456 NBFSPVRBHQMFFF-VXGBXAGGSA-N 289.169 2.320 50 40 CEGB CCOC(=O)NNC(=O)c1cc(C)nc2cc(F)ccc12 40511936 AFSQFMWPSDOMRU-UHFFFAOYSA-N 291.282 2.073 50 40 CEGB COC(=O)[C@H](Br)c1cc(F)ccc1OC 82586149 KUMPYUMGJZFCIZ-SECBINFHSA-N 277.089 2.443 50 40 CEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccsc1 58326 YCNWWKQSLJYANG-NSHDSACASA-N 276.317 2.003 50 40 CEGB Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 5052129 QXXHGPOEEPMENN-JTQLQIEISA-N 272.333 2.306 50 40 CEGB CCOc1ccc(OCc2ccc(C(=O)NN)cc2)cc1 370193 BWHYENOLFUKVCM-UHFFFAOYSA-N 286.331 2.268 50 40 CEGB O=C(NN=C1CCCCCC1)C(=O)NC1CCCCC1 59515826 AMKNRHQJYVNQPF-UHFFFAOYSA-N 279.384 2.262 50 40 CEGB CC(=O)Nc1cccc(-c2nnc(CCl)o2)c1 20135865 KPIMJQVWPLAPED-UHFFFAOYSA-N 251.673 2.434 50 40 CEGB N#CC1=C(N)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 5530990 JHAGVPKMPVIWJO-AWEZNQCLSA-N 283.306 2.213 50 40 CEGB CCC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1 20572664 SSCTTZOGDJSQNR-LFIBNONCSA-N 256.309 2.123 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 3258860 HFXWWAIFTUSJOW-YRNVUSSQSA-N 298.264 2.375 50 40 CEGB C[C@H]1C[C@@H]1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 15902385 DMQNEJADIPZSHO-XOVPDBADSA-N 290.407 2.396 50 40 CEGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1C 16158217 YVKCPNWEWYVLHM-ZSOIEALJSA-N 283.331 2.458 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1 4880215 GIOOYUMXLIRXOG-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1O 260169 VCUSCXNXVHXASI-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB biogenic O=C(Cc1cccs1)N/N=C\c1ccc(O)cc1 32576902 FMHMAAASZKXNIL-ZROIWOOFSA-N 260.318 2.147 50 40 CEGB C[C@H](Cl)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 5175360 UMYXHENUOWTRNZ-NKWVEPMBSA-N 253.685 2.216 50 40 CEGB COc1cccc(C(=O)NNC(=O)C2CCCCC2)c1 6762163 KXJBOJBFUVPAFX-UHFFFAOYSA-N 276.336 2.037 50 40 CEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 408972249 OGILPJNRLBPWOT-VAKHEIKFSA-N 289.379 2.175 50 40 CEGB O=C(CBr)c1ccc(F)c(F)c1O 307008590 HCRCQCWWMQRSKQ-UHFFFAOYSA-N 251.026 2.248 50 40 CEGB Cc1ccc(O[C@@H](C)C(=O)N/N=C\c2ccccn2)cc1 5009816 QRTJFNKOXXNQRB-FHNWIRHTSA-N 283.331 2.308 50 40 CEGB O=C(COc1ccccc1)NN=Cc1ccccc1 11582531 LUKSFLWQOOVCOS-UHFFFAOYSA-N 254.289 2.216 50 40 CEGB C=CCN1C=CC(=C/C=C(/C#N)C(=O)OCC)C=C1 13119733 YBLJJUJKZAXDPG-NSIKDUERSA-N 256.305 2.455 50 40 CEGB COc1ccc(C(=O)NN/C=C/C(=O)C(C)(C)C)cc1 3093272 AMNNJXAEGKTMFU-MDZDMXLPSA-N 276.336 2.059 50 40 CEGB Cc1nc2ccccn2c1C(=O)NN=C1CCCC1 5070967 PBINXCCCJXMKMA-UHFFFAOYSA-N 256.309 2.303 50 40 CEGB N#C/C(=C\c1cc2ccccc2oc1=O)C(=O)N1CCCC1 409369238 IPKIXYHSWUPXPL-GXDHUFHOSA-N 294.310 2.322 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1cccc(C)c1 96518968 DVGSPBNDKFXIHY-MNOVXSKESA-N 262.758 2.028 50 40 CEGB O=C(CCl)NCc1cccc(Br)c1 42250480 GLHTYACKZPPLMY-UHFFFAOYSA-N 262.534 2.304 50 40 CEGB in-vitro O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ccccc1 175643 OUIFYGBOEMKCLS-UHFFFAOYSA-N 287.275 2.117 50 40 CEGB CSC(=C(C#N)C#N)[C@@H](C#N)C(=O)NCc1ccccc1 6794374 DJZGSVREDCBHHL-CYBMUJFWSA-N 296.355 2.107 50 40 CEGB O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@@H]([C@@H]2Cl)[C@H]13 103684675 PTGDUGPVEWYOLE-LSUSWQKBSA-N 268.765 2.332 50 40 CEGB CCOC(=O)N/N=C(\CC)c1cc(F)ccc1O 58157781 UMHVLBLVVQSDIU-GXDHUFHOSA-N 254.261 2.392 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl 408847058 LFJAGEUHFQKNRY-UITAMQMPSA-N 279.683 2.243 50 40 CEGB COC(=O)[C@H](Br)c1ccccc1[N+](=O)[O-] 39153903 ALNXYSMZZZSIHH-MRVPVSSYSA-N 274.070 2.204 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(Cl)cc1 96518935 ODKYVRIQZXQJBD-VHSXEESVSA-N 283.176 2.373 50 40 CEGB O=C(CCl)OC1CCN(C(=O)Nc2ccccc2)CC1 95951893 WMGMTYQLVOBGIV-UHFFFAOYSA-N 296.754 2.465 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@@H]23)cc1 18041984 OZAZYIZGOWUBOX-YTMCFHSCSA-N 267.332 2.445 50 40 CEGB Cc1ccc(NC(=O)[C@@H](C)Cl)cc1N1CCOCC1 34776696 IKHIBMJJOIPFFG-LLVKDONJSA-N 282.771 2.397 50 40 CEGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1F 790503 YAEBITLSTVDXEA-ZIAGYGMSSA-N 298.317 2.390 50 40 CEGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)c1cc(O)ccc1O 102333696 LCGLYIYCOPABGX-KPNMNFAMSA-N 260.293 2.004 50 40 CEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)OC(C)(C)C)c1C 33027017 NQIDEXVNKXQZSL-UHFFFAOYSA-N 295.339 2.004 50 40 CEGB Cc1cccc(C(=O)N/N=C/c2ccc(O)c(O)c2)c1 561354 XDXRRAMGADQRBF-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB COC(=O)N/N=C/c1cc(Br)ccc1OC 3574852 KPBIOUIRWWPNAV-WUXMJOGZSA-N 287.113 2.148 50 40 CEGB COc1ccccc1NC(=O)C(=O)NN=C1CCCCC1 4702986 VNMPYSSIFMEIQH-UHFFFAOYSA-N 289.335 2.070 50 40 CEGB C[C@H](NC(=O)/C(C#N)=C\c1ccco1)c1cccnc1 71903721 QPBDTQXMAPBHEV-LFTLCWSBSA-N 267.288 2.459 50 40 CEGB C/C(=N/NC(=O)Cc1cccn1C)c1ccccc1 230877 NTQCTYCJCWZCGI-VBKFSLOCSA-N 255.321 2.108 50 40 CEGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O 409247328 MWKXCVLTHAYJRN-CLTKARDFSA-N 284.102 2.095 50 40 CEGB Cc1cccc2c1N(CC(=O)NN)C(C)(C)C[C@H]2C 260622159 RIODIIJEFZPHMD-LLVKDONJSA-N 261.369 2.077 50 40 CEGB O=C(N/N=C/c1ccccc1F)[C@H](O)c1ccccc1 34042 IDXMCIAMGBQOJR-NGWPFTMJSA-N 272.279 2.009 50 40 CEGB O=C(NNC(=O)c1ccco1)c1ccc(Cl)cc1 27672 ZCBOTDORSSEIEQ-UHFFFAOYSA-N 264.668 2.008 50 40 CEGB Cc1[nH]c2ccccc2c1CCNC(=O)CCl 92853 MRRYWXSWZJNQRW-UHFFFAOYSA-N 250.729 2.374 50 40 CEGB COc1cccc(C(=O)NNC(=O)CCc2ccccc2)c1 290026 BYCRAFFTANNJHD-UHFFFAOYSA-N 298.342 2.089 50 40 CEGB COc1ccc(NC(=O)NNc2nc(C)cc(C)n2)cc1 23234543 RCTMURINOYPBEV-UHFFFAOYSA-N 287.323 2.251 50 40 CEGB COc1ccc(NC(=O)C(=O)NN=C2CCCCC2)cc1 59503539 PGFDUIUANFNVLI-UHFFFAOYSA-N 289.335 2.070 50 40 CEGB N#CC(C#N)=C(N)[C@@]1(C#N)[C@@H](c2ccccc2Cl)[C@H]1C#N 66087968 SBBXHGXDYWUQFJ-OSAQELSMSA-N 293.717 2.347 50 40 CEGB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CBr 96032467 AHDOQGYAXYGUQV-QMMMGPOBSA-N 292.173 2.350 50 40 CEGB C/C(CC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)=N\NC(N)=O 4266889 BQFQOKZROFZLAI-YGQQTBFOSA-N 297.399 2.425 50 40 CEGB O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1cc(O)ccc1O 16989987 LCGLYIYCOPABGX-IICWOCGESA-N 260.293 2.004 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 224920 PKTWGBKIDPYHEH-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1 2678351 GLRXWYQZRMYHNL-FMIVXFBMSA-N 278.739 2.400 50 40 CEGB CN(Cc1ccsc1)C(=O)NNC(=O)c1ccccc1 32795417 RIFMJCGVYGGDGD-UHFFFAOYSA-N 289.360 2.235 50 40 CEGB CCCN/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 80346026 XRJSTQVZIWNLMR-JLHYYAGUSA-N 264.350 2.133 50 40 CEGB NNC(=O)c1cc2cccc(Br)c2s1 95215849 RXTOVYNICYAXJN-UHFFFAOYSA-N 271.139 2.267 50 40 CEGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccncc1 31719653 FBRHTQYVXDXPMH-WQRHYEAKSA-N 265.316 2.334 50 40 CEGB CCOC(=O)OC[C@@H](Br)C(F)(F)F 1083809195 WUMZWYPSTWRMLJ-SCSAIBSYSA-N 265.025 2.485 50 40 CEGB CC(C)C[C@H](N)C(=O)N/N=C/c1ccc2ncccc2c1 2371889 YUECLUSUYLFBCN-FVOVHSBVSA-N 284.363 2.058 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(N)cc2)c(OC)c1 17023762 SGXHNPNFIRMAQJ-ZDLGFXPLSA-N 299.330 2.050 50 40 CEGB CC(=O)N[C@H]1CCOc2ccc(C(=O)[C@H](C)Cl)cc21 41195235 BOUIKHWJPXBWGT-UFBFGSQYSA-N 281.739 2.456 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 524148 UAPPOKQEIDCSJQ-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB O=S(=O)(O)c1cc(N=C=S)ccc1N=C=S 2528212 GAZYMQNPYHXJCK-UHFFFAOYSA-N 272.332 2.402 50 40 CEGB C/C(=N\NC(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1 12403572 ISGHIZSBNIJYED-MHWRWJLKSA-N 299.286 2.454 50 40 CEGB CC(C)CC(=O)NNC(=S)Nc1cc(F)cc(F)c1 17009779 IPWXBDKMDKBVBX-UHFFFAOYSA-N 287.335 2.329 50 40 CEGB COc1ccc(Cl)cc1/C=C/C=C(\C#N)C(N)=O 1709688 MFGLLGUAIRYAOJ-KHVHPYDTSA-N 262.696 2.297 50 40 CEGB COC(=O)N/N=C/c1ccccc1Br 2658396 ABMPNVNDXGYYLK-IZZDOVSWSA-N 257.087 2.139 50 40 CEGB Cc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1 3555189 GYQAPSDAJZTDSB-UHFFFAOYSA-N 286.306 2.138 50 40 CEGB COc1ccnc(NNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)n1 46364506 UFALGLNODKUCAW-CMPLNLGQSA-N 290.367 2.167 50 40 CEGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1 59333782 FEFJVESTGKPJAY-LCYFTJDESA-N 258.321 2.469 50 40 CEGB Cc1ccc(C(=O)NNC(=O)COc2ccccc2)c(C)c1 12866904 ZIOLQFTWNYRZQO-UHFFFAOYSA-N 298.342 2.143 50 40 CEGB C[C@@H](O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 83293725 CAPXFNPUEZZVPP-KYZBGHIMSA-N 292.722 2.431 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2ccco2)c(C)c1 253130 YUQQLUGWWQQJEO-CXUHLZMHSA-N 272.304 2.426 50 40 CEGB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)Cl)CC2 5396136 GBLCZBAMCRQREO-VIFPVBQESA-N 283.755 2.216 50 40 CEGB Cc1cc(OCC(=O)NNC(C)C)cc(C)c1C 35653706 XEWDPPOVVMUVTJ-UHFFFAOYSA-N 250.342 2.020 50 40 CEGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1C 8334174 PLVCRFOIFNKJPK-YDDPGSGASA-N 294.358 2.399 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccncc2)c(Cl)c1 569228 FYIFJKPGWZDDTD-UHFFFAOYSA-N 289.722 2.118 50 40 CEGB Cc1cccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1 100436031 ZQBZGKLCLKJVDG-OBGWFSINSA-N 293.326 2.106 50 40 CEGB CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1 492808 NLWXAIUMPIHMCE-CQSZACIVSA-N 280.331 2.430 50 40 CEGB O=C(CCl)Nc1cc(Cl)ccc1N1CCOCC1 34776865 KGTGBWUVXHBCIE-UHFFFAOYSA-N 289.162 2.354 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OC 8043667 ZJUSBVFRVIYVSG-MHWRWJLKSA-N 288.303 2.451 50 40 CEGB CN(C)C(=O)c1ccc(-c2noc(CCl)n2)cc1 1582935358 QWVRDCLSWUANNR-UHFFFAOYSA-N 265.700 2.177 50 40 CEGB CN(C)NC(=O)C(c1ccccc1)c1ccccc1 1634225 KDTBKUIQQBNTKA-UHFFFAOYSA-N 254.333 2.411 50 40 CEGB CO[C@@H]1OC(C#N)=CC[C@@H]1c1ccc2c(c1)OCO2 4268082 GTJVYAQOSWPGIS-BXUZGUMPSA-N 259.261 2.299 50 40 CEGB N#C/C(=C/c1ccccc1)C(=O)NCc1ccccn1 6643975 LLYVNRHFBVSHQN-UVTDQMKNSA-N 263.300 2.305 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 408799084 JSTUTJWDKKJXCY-CEXMDJMXSA-N 274.320 2.222 50 40 CEGB COc1ccc(CN(C)C(=O)[C@H](C)Cl)cc1OC 36962970 MWTSJKVLXYMPIV-VIFPVBQESA-N 271.744 2.290 50 40 CEGB in-vitro Cc1ccc(N[C@H](C)C(=O)N/N=C/c2ccncc2)cc1 235067 PLNXFJMWDJYXHH-VBEHJTROSA-N 282.347 2.341 50 40 CEGB O=C(NNC(=O)c1ccco1)c1ccc2c(c1)CCCC2 8238411 UTUGOYXETOCLOS-UHFFFAOYSA-N 284.315 2.233 50 40 CEGB CCOC(=O)NNC(=O)Cc1ccc(CC(C)C)cc1 47836427 BTIXYQYIEBYRLR-UHFFFAOYSA-N 278.352 2.205 50 40 CEGB O=C(NNC(=O)C1CCCCC1)c1cc(F)cc(F)c1 6930039 FVOHGINWVSZJCL-UHFFFAOYSA-N 282.290 2.306 50 40 CEGB CC(C)N(Cc1ccc(Cl)nn1)C(=O)CCl 79435647 JMFXFTFWPPNPLH-UHFFFAOYSA-N 262.140 2.106 50 40 CEGB CS/C(=C(\C#N)S(=O)(=O)c1ccccc1)N(C)C 40478940 DXKOUQLRLKERSH-VAWYXSNFSA-N 282.390 2.078 50 40 CEGB N#CCOc1ccccc1/C=N/NC(=O)c1cccs1 44062662 BGAPCTYJUNMLLP-MHWRWJLKSA-N 285.328 2.414 50 40 CEGB O=C(N/N=C/[C@@H]1CCOC1)c1ccccc1Br 54278346 YSYDPJYGQKUUDJ-DUJAKZANSA-N 297.152 2.201 50 40 CEGB O=C(Cc1cccnc1)N/N=C/c1ccc(Cl)cc1 137925 FFUMGSCNPIICFS-LICLKQGHSA-N 273.723 2.428 50 40 CEGB N#C/C(=C\c1csc(COc2ccccc2)n1)C(N)=O 48837528 UEPFZYYPFNDBQA-UXBLZVDNSA-N 285.328 2.114 50 40 CEGB C/C(=N\NC(=O)Cc1ccc(O)cc1)c1cccc(N)c1 13331959 LRGLBMQGGOQVFH-WOJGMQOQSA-N 283.331 2.057 50 40 CEGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc(C)cc1 408719607 HGLQLNSPLOBJOR-SAPNQHFASA-N 273.380 2.321 50 40 CEGB CN(C[C@H]1CCCN1C(=O)CCl)C(=O)OC(C)(C)C 79408715 SCRURWBOMWYRPW-SNVBAGLBSA-N 290.791 2.083 50 40 CEGB Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NN 226100872 NCZKTPUFOORRIZ-UHFFFAOYSA-N 296.252 2.074 50 40 CEGB O=C(/C=C/c1ccco1)NNC(=O)Nc1ccccc1 70532 CFUPNCDOPBYQIS-CMDGGOBGSA-N 271.276 2.146 50 40 CEGB Cc1ccc(OCC(=O)NNC(=O)C2CCCC2)cc1C 13006535 NLFQVLBEGUZNJF-UHFFFAOYSA-N 290.363 2.020 50 40 CEGB O=C(O)CCSSCCCCC[S@](=O)O 17175442 OMYWNYAIPFDHRM-UHFFFAOYSA-N 272.413 2.235 50 40 CEGB O=C(NNc1ncccc1[N+](=O)[O-])Nc1ccccc1F 20031192 RQVGPTBJOXJTIG-UHFFFAOYSA-N 291.242 2.278 50 40 CEGB Cn1cccc1C(=O)NNC(=O)c1sccc1C1CC1 67139417 BAQRBONUYJDHLE-UHFFFAOYSA-N 289.360 2.039 50 40 CEGB Cc1c(C[C@@H]2CC(=O)OC2=O)c2ccccc2n1C 100494170 CMPALHQNCRRWKG-SNVBAGLBSA-N 257.289 2.119 50 40 CEGB O=C1Nc2ncccc2O[C@H]1CCCCBr 63110799 RIAUGVNGKLJHGR-VIFPVBQESA-N 285.141 2.346 50 40 CEGB COC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 4137255 PYWSEEVRSGAIKG-VSYUYLJXSA-N 289.169 2.318 50 40 CEGB COc1cc([N+](=O)[O-])ccc1NC(=O)CCCl 6126951 KOQBHLMOVWSUCQ-UHFFFAOYSA-N 258.661 2.171 50 40 CEGB Cn1cccc1C(=O)NNC(=O)Nc1cccc(Cl)c1 14201050 PIVGBZVSIWBVGL-UHFFFAOYSA-N 292.726 2.145 50 40 CEGB O=C1CC(c2ccc(OC[C@@H]3CCCO3)cc2)CC(=O)O1 217802078 BLANTWRRMBXMFM-AWEZNQCLSA-N 290.315 2.192 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1cccc(Cl)c1 96518918 ASJYTZRAJJTLRS-UWVGGRQHSA-N 283.176 2.373 50 40 CEGB CCOc1ncccc1NC(=O)NNC(=O)OC(C)(C)C 63605536 ALZFDVJCVYUVKG-UHFFFAOYSA-N 296.327 2.042 50 40 CEGB O=C(NNC(=O)C1CCCC1)c1cc(-c2ccccc2)on1 28792037 OYWFNXQJBQKDBB-UHFFFAOYSA-N 299.330 2.293 50 40 CEGB CCN1CCC(=NNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 4155296 RMYOCFMZUYVMAS-JKSUJKDBSA-N 285.391 2.378 50 40 CEGB CCCCC[C@@H]1C[C@H](CC/C(C)=N/NC(N)=O)C(=O)O1 4762615 ZELHUNXPAOWFKO-AWOYWQDDSA-N 283.372 2.323 50 40 CEGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccccc1 409205629 DGNWEEOFRBYVMQ-VCHYOVAHSA-N 279.343 2.153 50 40 CEGB CC1(CC(=O)N/N=C/c2cccc(Cl)c2)OCCCO1 408720004 VETHJBYZJWVEFF-MHWRWJLKSA-N 296.754 2.333 50 40 CEGB COC(=O)c1cc(OC)cc2nc(CCl)oc12 43827669 BGOWQQSPNNKIAM-UHFFFAOYSA-N 255.657 2.362 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1cccc(C)c1 96518971 DVGSPBNDKFXIHY-WDEREUQCSA-N 262.758 2.028 50 40 CEGB C[C@]1(C(=O)O)CC[C@H](C(Cl)Cl)[C@@]1(C)CO 575602800 XISNCNTUJWCECA-BDODKLCJSA-N 255.141 2.290 50 40 CEGB COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(OC)c1O 3574735 WSYMBBBKMPFMCS-OVCLIPMQSA-N 296.323 2.268 50 40 CEGB C[C@@H]1CCC(SC#N)=C(/C=N/NC(N)=S)C1 5515788 ZOZHKKFDFZPVNY-MOLHFAFQSA-N 254.384 2.094 50 40 CEGB O=C(NNC(=O)C1(c2ccccc2)CCC1)c1ccco1 25242164 VFXBKALNOLIAEO-UHFFFAOYSA-N 284.315 2.163 50 40 CEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3[nH]nc(C)c32)cc1 6380899 KTBQFRXTMVDGCG-CQSZACIVSA-N 295.346 2.368 50 40 CEGB O=S(=O)(CCCBr)c1ccc(F)cc1 19788636 AOHVGJZTPXYBFW-UHFFFAOYSA-N 281.146 2.384 50 40 CEGB in-vitro O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc([N+](=O)[O-])cc1 5672689 DZAOIJYWNASQHZ-CCIWPMTQSA-N 271.276 2.277 50 40 CEGB C[C@]12[C@H](Br)[C@@H]3[C@@H]4C[C@@H]5[C@@H](C(=O)[C@@H]1[C@@H]53)[C@@H]42 195529057 DYJXAYHLFCEUAR-QSOSZQIZSA-N 253.139 2.097 50 40 CEGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(N)=S 5943781 MBWRWNKDTHMPHH-CLTKARDFSA-N 267.697 2.441 50 40 CEGB CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 16437843 TVVFENGMCGHBJN-SDNWHVSQSA-N 269.348 2.282 50 40 CEGB C/C(CCc1ccccc1Br)=N/NC(N)=O 17376823 FPSXJYGFSKTYRT-ZSOIEALJSA-N 284.157 2.426 50 40 CEGB CCc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1 11335607 IWOPSLBIMKOFKS-UKTHLTGXSA-N 294.362 2.146 50 40 CEGB O=S(=O)(SC1=NCCN1)c1cccc2ccccc12 1650614 NDWQPJGIMYYXAX-UHFFFAOYSA-N 292.385 2.221 50 40 CEGB CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 2551784 DFGADFPMFDWVIP-UHFFFAOYSA-N 298.342 2.290 50 40 CEGB CC[C@@H](C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1 5030702 KIRIPVISNOVCKB-JEXISXOFSA-N 284.363 2.058 50 40 CEGB aggregator Cc1c(C(=O)N/N=C\c2ccccc2)sc(N)c1C#N 33739717 RYZUVXBWEGCMQY-IUXPMGMMSA-N 284.344 2.274 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1OC 136321 QXEWETMEAYLZPJ-VCHYOVAHSA-N 299.330 2.050 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(C(=O)O)cc1 309225 WOWBKVXIHISDAT-MDWZMJQESA-N 293.282 2.325 50 40 CEGB O=C(Cl)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 100680172 BJDSCMRQAMPSKL-MRVPVSSYSA-N 286.114 2.184 50 40 CEGB COc1cc(CNC(=O)CCl)ccc1OC(F)F 12504876 GERHNWAOCXYFOE-UHFFFAOYSA-N 279.670 2.152 50 40 CEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccnc2)c1 3476931 SMHYWTZYZYCIEM-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB CC(=O)Oc1ccccc1/C=N/NC(=O)c1ccccc1O 4132391 WRBOUNQGOROODD-LICLKQGHSA-N 298.298 2.081 50 40 CEGB CCC(=O)N/N=C(\C)CC(=O)Nc1ccc(F)cc1 4401994 YKTNOLKKCWLSHV-CXUHLZMHSA-N 265.288 2.056 50 40 CEGB Cn1cccc1/C=C(\C#N)S(=O)(=O)c1ccccc1 6828345 ZCZQNSYWXHZXEZ-GXDHUFHOSA-N 272.329 2.363 50 40 CEGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1O 30728621 XYFYXXOFMLUOKS-NVMNQCDNSA-N 299.330 2.258 50 40 CEGB O=C1OC(=O)c2cc(-c3nc4ccccc4c(=O)o3)ccc21 97954722 FRAYYOLYLPEJQY-UHFFFAOYSA-N 293.234 2.166 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2\CCSC2)cc1 15347550 OZUNUBIGQAOFBC-NTCAYCPXSA-N 263.366 2.016 50 40 CEGB Cn1c(=O)c(-c2noc(CCl)n2)cc2ccccc21 504202103 NHIHIPLCBIERHF-UHFFFAOYSA-N 275.695 2.327 50 40 CEGB O=C(NNc1ncnc2ccccc12)c1ccc(O)cc1 1797209 OPRPSGTUEZGRRE-UHFFFAOYSA-N 280.287 2.092 50 40 CEGB O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1c[nH]c2ccccc12 104127958 IFCSNSMZSBBZHY-GMXVVIOVSA-N 297.358 2.365 50 40 CEGB CCC/C=N/NC(=O)CCCCC(=O)N/N=C/CCC 5125552 ODRRZAZZZLWJOV-JOBJLJCHSA-N 282.388 2.351 50 40 CEGB CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408961042 QFMBAGAGVAVCIG-LZYBPNLTSA-N 286.287 2.423 50 40 CEGB CNC(=O)/C(C#N)=C\c1cccn1-c1ccccc1 33328411 LAIOLNWWEWMAKM-BENRWUELSA-N 251.289 2.130 50 40 CEGB Cc1cccc(Nc2nc(CC(=O)NN)cs2)c1C 223449351 XIRGAZBOAXZEPB-UHFFFAOYSA-N 276.365 2.036 50 40 CEGB CCCc1ccc(C(=O)NN)n1Cc1ccccc1 226026164 IZVBBUZCFDFKHE-UHFFFAOYSA-N 257.337 2.092 50 40 CEGB NC(=O)c1c(NC(=O)CCCl)sc2c1CCCC2 1940179 YDSIFVWHBFYNFG-UHFFFAOYSA-N 286.784 2.293 50 40 CEGB COc1ccccc1NC(=O)NNc1ccccn1 16499720 ZGODWOLTTUCAFS-UHFFFAOYSA-N 258.281 2.239 50 40 CEGB CSc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1 44975884 MESJJLZUAYAZEI-JLHYYAGUSA-N 288.372 2.174 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(Cl)cc1 96518932 ODKYVRIQZXQJBD-ZJUUUORDSA-N 283.176 2.373 50 40 CEGB Cc1sc(NC(=O)NNc2cnccn2)c(C#N)c1C 32796837 LZZFBTDTMOQNLO-UHFFFAOYSA-N 288.336 2.175 50 40 CEGB CC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 6317946 LKFWZYZXWUFLDQ-UHFFFAOYSA-N 277.271 2.043 50 40 CEGB C/C(=N\NC(=O)CCn1nc(C)cc1C)c1ccccc1 4833687 OQTUSKMMQGYDOW-SAPNQHFASA-N 284.363 2.430 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1F 408968100 UFXLPGZWKUAAGF-VXLYETTFSA-N 297.289 2.470 50 40 CEGB CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 79421433 AUHIJRVADWRUKL-NSHDSACASA-N 283.755 2.302 50 40 CEGB CC/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccccc1 5082033 CITBPMXVTGJWSU-BMRADRMJSA-N 284.363 2.430 50 40 CEGB O=S(=O)(CCCl)c1ccc(C(F)(F)F)cn1 153141 VACOIIVHOIMMEF-UHFFFAOYSA-N 273.663 2.113 50 40 CEGB COc1cccc(C(=O)NN=C(CCl)CCl)c1 100244214 MXOVVYOWBNQCKG-UHFFFAOYSA-N 275.135 2.259 50 40 CEGB NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 3260105 GZEPGQARAYQUPR-UHFFFAOYSA-N 293.326 2.417 50 40 CEGB CC(C)/C=N/NC(=O)CCCCC(=O)N/N=C/C(C)C 13136065 LHKXJLZOTKMAAL-KAVGSWPWSA-N 282.388 2.063 50 40 CEGB Cc1nccn1-c1ccc(CNC=C(C#N)C#N)cc1F 63442046 INVSOWIZUHKBAY-UHFFFAOYSA-N 281.294 2.340 50 40 CEGB O=[N+]([O-])c1ccc(C2=NO[C@H](CBr)C2)cc1 217843038 OLLSYHBRBHUEAP-VIFPVBQESA-N 285.097 2.483 50 40 CEGB CC(C)NC(=O)N(CCCCBr)N=O 5706863 YNVUGDOGVVWICP-UHFFFAOYSA-N 266.139 2.263 50 40 CEGB Cc1ccccc1/C=N/NC(=O)c1cc(O)ccc1O 13321383 CTWQBHVUCFXGKD-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(C)c1O 6500876 DHPLSRVBLDVYQA-RQZCQDPDSA-N 284.315 2.479 50 40 CEGB C/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(N)c1 4750625 ZQPCJQGUVLQXNU-LICLKQGHSA-N 269.304 2.128 50 40 CEGB CCCn1c(=O)oc2cc(NC(=O)CCl)ccc21 4936786 QIENNOIXOCBDNE-UHFFFAOYSA-N 268.700 2.182 50 40 CEGB COc1ccc(/C(C)=N\NC(=O)c2ccccn2)cc1 28351420 JFPWOTGEHCXLRL-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1 31729502 UNTUZVVEMVWURQ-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB N#C/C(=C/c1nccs1)C(=O)NC1CCCCC1 69491756 KRQPZOKCJXEOMP-NTMALXAHSA-N 261.350 2.499 50 40 CEGB C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccccc1 21791193 HRZFZEASYJNNOA-AZZDOICSSA-N 280.331 2.204 50 40 CEGB COCCCNC(=O)/C(C#N)=C/C=C/c1ccccc1 2678331 FFKBYWRRXAQZIA-DXAKAWOZSA-N 270.332 2.302 50 40 CEGB CCOC(=O)N/N=C(\C)c1ccc(C)c([N+](=O)[O-])c1 5163796 YSEVAWGYVSHIKY-UKTHLTGXSA-N 265.269 2.373 50 40 CEGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(C)cc1 6664589 HFEMGKVIFMQBLD-LBPRGKRZSA-N 294.738 2.015 50 40 CEGB Cc1c(C(=O)NNC(=O)c2cccn2C)oc2ccccc12 9255553 HCVZHAPDDBSWQS-UHFFFAOYSA-N 297.314 2.155 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 35944136 UXTYPVXRDYLJPJ-NTUHNPAUSA-N 281.268 2.159 50 40 CEGB CCOc1cc(/C=C/C(=O)NN)ccc1O[C@@H](C)CC 216884081 NYWFFSVQMKXQGM-DJYGCBNOSA-N 278.352 2.266 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 45958232 AQKZWCHWPCQUJT-NSHDSACASA-N 292.766 2.405 50 40 CEGB CC[C@@H](C(=O)NN)N1c2ccccc2C(C)=CC1(C)C 223201160 SDNOYZCTWXFUJF-ZDUSSCGKSA-N 273.380 2.457 50 40 CEGB O=C(/C=C(\C(=O)O)c1ccccc1)NNc1ccccc1 100440152 CWLGRMOQONJRHN-KAMYIIQDSA-N 282.299 2.298 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(N)c2)cc1 5260626 SNRFKHJHQATIFQ-XDHOZWIPSA-N 297.358 2.360 50 40 CEGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)O)O[C@H](C)C2 7155629 RQGLFBOPIQIPAE-JOZRWXFHSA-N 273.288 2.400 50 40 CEGB COC(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@@H](C)O2 96812256 MKZPROMKFDRFCR-UKWOQQOSSA-N 273.288 2.099 50 40 CEGB O=C1[C@@H](Br)CCN1c1ccccc1F 62152138 KRQZEPZBABMOPQ-ZETCQYMHSA-N 258.090 2.326 50 40 CEGB C[C@@H]1CC(C)(C)N(CC(=O)NN)c2cc(Cl)ccc21 223828942 NBNNBFGOEZXEOY-SECBINFHSA-N 281.787 2.422 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1O 97990616 CBFUBOALPHKYAS-WMZJFQQLSA-N 294.738 2.486 50 40 CEGB Cc1cc2c(cc1C)N(CC(=O)NN)C(C)(C)C[C@H]2C 260624951 XAEZBUQFIQGCDP-GFCCVEGCSA-N 275.396 2.386 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccc(C)nc1 175007 YMRHHMRYQKYHIJ-LICLKQGHSA-N 269.304 2.163 50 40 CEGB CCOC(=O)[C@@]1(C)CC[C@@H](/C(C)=N/NC(N)=O)C1(C)C 4266649 JQNMXABYOGASNX-CKGYPIGKSA-N 283.372 2.036 50 40 CEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc(O)c1 5480119 DNZZUBRCQBWMDP-LICLKQGHSA-N 298.298 2.275 50 40 CEGB O=S(=O)(C[C@@H](Cl)CCl)c1ccccc1 100241614 PVXUWQGYYQEFPK-QMMMGPOBSA-N 253.150 2.307 50 40 CEGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)C2CC2)cc1 358616 XJBPSLIWSJVPQA-LICLKQGHSA-N 297.314 2.392 50 40 CEGB O=C(CCC1CCCC1)NNC(=O)Cc1ccccc1 496849 BBSVDOVSXLKYKQ-UHFFFAOYSA-N 274.364 2.347 50 40 CEGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccco1 9749488 XZCDVFOJBMEWOZ-UHFFFAOYSA-N 294.694 2.016 50 40 CEGB COc1ccc(C[C@H](CO)NC2=C(C#N)CCC2)cc1 32068950 BMPIJGYSYBXBMU-CQSZACIVSA-N 272.348 2.150 50 40 CEGB CCOC(=O)[C@H](C)/C(C)=N/NC(=O)Nc1ccccc1 4178257 BVICBASPCLMLHD-ILJRITOVSA-N 277.324 2.383 50 40 CEGB CCOC(=O)N/N=C\C=C\c1ccc(N(C)C)cc1 16924273 VXCHHNHDJABSCT-CFRRUZFISA-N 261.325 2.498 50 40 CEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1 2620428 YQGFMKSAAWFPIU-UHFFFAOYSA-N 293.326 2.172 50 40 CEGB COc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1O 3220401 BTJABZUUOBHKSX-MHWRWJLKSA-N 291.351 2.367 50 40 CEGB CCC(=O)NNC(=S)Nc1ccccc1Cl 6396532 KKEFQAKMCPWVJC-UHFFFAOYSA-N 257.746 2.068 50 40 CEGB O=C(N/N=C\c1ccc(O)c(O)c1)c1cccc2cc[nH]c12 31911655 JNJKCFYBJKTZQJ-NVMNQCDNSA-N 295.298 2.343 50 40 CEGB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2CC(=O)NN 223189475 KIUHBWOVCMFNKW-LLVKDONJSA-N 261.369 2.077 50 40 CEGB COc1cc(C#CCBr)cc(OC)c1 95631981 LMVZMOAMDBKKST-UHFFFAOYSA-N 255.111 2.450 50 40 CEGB N#Cc1cccc(NNC(=O)Nc2ccc3c(c2)OCO3)c1 54377237 QMGVVJHAXVOYLS-UHFFFAOYSA-N 296.286 2.436 50 40 CEGB O=C1N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O1 1772714834 ZKNVVDQKLPLNMD-MRVPVSSYSA-N 260.076 2.171 50 40 CEGB C[C@@H](Br)C(=O)Nc1ccccc1C#N 5677195 CHTLHFARVYFCBE-SSDOTTSWSA-N 253.099 2.280 50 40 CEGB O=C(CO/N=C/c1ccccc1)NN=C1CCCCC1 5772504 UDPWEBOWMUNSIV-LFIBNONCSA-N 273.336 2.473 50 40 CEGB Cc1cccc(/C=N/NC(=O)CCc2ccccc2O)n1 32404 LJGUWDDFMIIJJC-GZTJUZNOSA-N 283.331 2.179 50 40 CEGB N#CCC(=O)N/N=C/[C@@H]1CCC[C@H](N2CCCCC2)CC1 6947197 DMANREDEZLTRGP-VVFWOWLMSA-N 290.411 2.437 50 40 CEGB C/C(=N\NC(=O)c1ccc(C)o1)c1ccc(O)cc1O 342948 TXUAJPRTNQVJHI-OQLLNIDSSA-N 274.276 2.153 50 40 CEGB C[C@@]12CC[C@@H](/C(=N/O)C1=O)[C@@]2(C)CBr 100747114 ZJBLURFKNIAZMR-HROBTHOXSA-N 260.131 2.217 50 40 CEGB O=C(COc1ccccc1Cl)NNC(=O)C1CCCC1 3553292 UXZYKKHTCRDLGG-UHFFFAOYSA-N 296.754 2.056 50 40 CEGB C[C@H]1CN(c2ccc(NC(=O)CCl)cc2)C[C@@H](C)O1 13400491 RULGFODZFMPBIT-PHIMTYICSA-N 282.771 2.478 50 40 CEGB C[C@H]1CCC/C(=N/NC(=O)c2cc(O)ccc2O)C1 16990282 OIGKIKKZHFAOET-KOUBLQELSA-N 262.309 2.394 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccccc1CC 6389203 FOUVCVVBLFDQPS-UHFFFAOYSA-N 265.382 2.367 50 40 CEGB Cc1cc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)n[nH]1 13112112 XMGDASBBJDINJW-MFOYZWKCSA-N 295.346 2.282 50 40 CEGB NC(=O)N/N=C1/CCC[C@@H](OC(=O)c2ccccc2)CC1 16954302 AFAGCEKCHDSFKY-KAECEXQPSA-N 289.335 2.200 50 40 CEGB O=C(N/N=C/c1c(Cl)nc2ccccn12)c1ccncc1 3214978 SNWOLVPTIDFADT-RQZCQDPDSA-N 299.721 2.147 50 40 CEGB O=C(N/N=C/c1cc2ccccc2cc1O)C1CC1 3466780 MWBRXIFCXTWKFP-CXUHLZMHSA-N 254.289 2.406 50 40 CEGB NNC(=O)c1ccc2nc(-c3ccc(F)cc3)oc2c1 70461574 CLQALYAOWAXDTR-UHFFFAOYSA-N 271.251 2.237 50 40 CEGB O=C(N/N=C/c1cccnc1)c1cc(-c2ccccc2)n[nH]1 2363600 JVIIGIVUWYKULJ-WOJGMQOQSA-N 291.314 2.236 50 40 CEGB CC(=O)C1(C(C)=O)O[C@H]2c3ccccc3C=CN2C=C1C=O 5601854 YNWOYEZVWDRNKA-INIZCTEOSA-N 297.310 2.001 50 40 CEGB COc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1O 3574759 FIOSVBQKXDSVEO-RIYZIHGNSA-N 266.297 2.259 50 40 CEGB CC(=O)/C(C#N)=C1\NC(=O)[C@H](Cc2ccccc2C)S1 100956745 PSOITZFJSOZALM-UESPBHMZSA-N 286.356 2.093 50 40 CEGB C[C@H](O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 83293724 CAPXFNPUEZZVPP-HUUTXYLISA-N 292.722 2.431 50 40 CEGB C=C1[C@@]2(C(N)=O)CC[C@@H](C2)[C@@]1(C)CBr 100319146 XNFCJDUDXXIGMC-INTQDDNPSA-N 258.159 2.229 50 40 CEGB biogenic COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OC 2742488 FZNXTYKBYUOORK-VCHYOVAHSA-N 299.330 2.050 50 40 CEGB O=C(Nc1nnc([C@H]2CCCO2)s1)C(Cl)Cl 150311 UJIZCCSCNGOLHR-SCSAIBSYSA-N 282.152 2.132 50 40 CEGB Cc1cc2c(c(=O)o1)[C@H](CC(C)C)C(C#N)=C(N)O2 546630 WAXMNTDOSCKZQI-SECBINFHSA-N 260.293 2.164 50 40 CEGB C=CCn1cc(/C=C(\C#N)C(N)=O)c2ccccc21 1409495 VCOPWSYZXNITCT-DHZHZOJOSA-N 251.289 2.220 50 40 CEGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)C(C)(C)C 4502888 VISNKAIREWJLCC-RKPNYOAGSA-N 276.336 2.365 50 40 CEGB Br[C@H]1C[C@H]2O[C@H]2C[C@H]1Br 4656282 UPEVUGACLNEWPQ-GUCUJZIJSA-N 255.937 2.075 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2ccc(C)s2)c(C)o1 5823369 AFQQRLNGLSWSPY-UHFFFAOYSA-N 278.333 2.341 50 40 CEGB COC(=O)N[C@H]1CC=C[C@H](C)[C@H]1I 45069457 RQOHCIVUEPWJAJ-BIIVOSGPSA-N 295.120 2.111 50 40 CEGB O=C1OC(=O)[C@@H]2[C@@H]1C1CCC2(C(=O)Nc2ccccc2)CC1 97956219 MCYLMCCHGWYKOY-RILABDALSA-N 299.326 2.131 50 40 CEGB CC1=C(C#N)c2nc3ccccc3n2C(=O)[C@@]1(C)CCO 1642023 NGYLOTNRXJUIJP-INIZCTEOSA-N 281.315 2.376 50 40 CEGB O=P1(N(CCCl)CCCl)OCCCO1 1684171 ZONOPUXXUUEOEC-UHFFFAOYSA-N 262.073 2.311 50 40 CEGB CC(=O)C12[C@H]3C=C[C@H]4[C@@H]3[C@@H]3[C@@H]1C=C[C@@H]3C42C(=O)CCl 104289112 HNGCLNVZBDVNLW-ZPDACLIISA-N 274.747 2.234 50 40 CEGB Cc1nn([C@@H](C)C(=O)NN=C2CCCC2)c(C)c1[N+](=O)[O-] 541847 GLLVWXQLLVSACD-JTQLQIEISA-N 293.327 2.015 50 40 CEGB O=C(C[C@H]1C=CCC1)NNC(=O)c1cc2c(s1)CCC2 17445787 ANARSRQCJSNMKS-JTQLQIEISA-N 290.388 2.354 50 40 CEGB Cc1cccc(C(=O)NNC(=O)c2cccs2)c1C 5823450 CGIASLFFJOOLCO-UHFFFAOYSA-N 274.345 2.440 50 40 CEGB N#C[C@@H](C(=O)N/N=C/c1ccco1)c1ccccc1 409207015 YQWRBZIALHEWOK-BVTUPMQUSA-N 253.261 2.037 50 40 CEGB COc1cc(C)c(/C=N\NC(=O)c2ccco2)cc1OC 33571178 UUAAZCZIGBQXHE-SXGWCWSVSA-N 288.303 2.369 50 40 CEGB CN(Cc1ccnc(Br)c1)C(=O)CCl 79421692 LSKRDXIHEFSXSY-UHFFFAOYSA-N 277.549 2.041 50 40 CEGB N#C/C(=C\c1cccc(Cl)c1)C(=O)N1CCOCC1 253445597 HIMIYJSBWZOMQC-XYOKQWHBSA-N 276.723 2.106 50 40 CEGB C[C@H](Cl)C(=O)NC1CCN(Cc2ccccc2)CC1 164031 XWIKFLBCYBWMDX-LBPRGKRZSA-N 280.799 2.395 50 40 CEGB C[C@@H]1Oc2ccc(C(=O)[C@@H](C)Cl)cc2N(C)C1=O 5175363 LVLQKRKPDYCVHR-SFYZADRCSA-N 267.712 2.240 50 40 CEGB COC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 5511018 LDCRXCDCKGNHCP-UHFFFAOYSA-N 278.095 2.386 50 40 CEGB CC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 66278904 QILSGAIXUPYZJI-UHFFFAOYSA-N 295.298 2.276 50 40 CEGB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)CBr)C1 79069338 CSIKGZJXGIQELU-MRVPVSSYSA-N 292.173 2.207 50 40 CEGB ClCCc1c(Cl)nc(N2CCOCC2)nc1Cl 72319666 PUTVNEMQQZJURT-UHFFFAOYSA-N 296.585 2.401 50 40 CEGB O=C1CC[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)N1 33429789 CJRJHIPASHITOM-HNNXBMFYSA-N 295.342 2.135 50 40 CEGB Nc1nc(CCl)nc(Nc2cc(F)c(F)c(F)c2)n1 40175495 IBHPNUVDHWVKJI-UHFFFAOYSA-N 289.648 2.354 50 40 CEGB NC(=O)N/N=C1/CCC[C@H](OC(=O)c2ccccc2)CC1 16954303 AFAGCEKCHDSFKY-IGWPVBGESA-N 289.335 2.200 50 40 CEGB N#CC1=C(N)OC(C2CC2)=C(C#N)[C@@H]1c1ccco1 165608 IJQHHAMAXRDDSQ-LBPRGKRZSA-N 253.261 2.275 50 40 CEGB O=C(O)[C@H](Br)CCCBr 2580757 JDAVNLLRFXIKKD-SCSAIBSYSA-N 259.925 2.010 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H](C(=O)[C@H]1[C@@H]53)[C@@H]42 100019714 DYJXAYHLFCEUAR-SJMHIPJVSA-N 253.139 2.097 50 40 CEGB COc1ccccc1N(CCC#N)C(=O)CCl 3278117 XFZKFQBEWUXIJM-UHFFFAOYSA-N 252.701 2.181 50 40 CEGB O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 4018455 JJMHIEVGMFNTRR-UHFFFAOYSA-N 257.249 2.352 50 40 CEGB CCCc1n[nH]c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2 4370846 MTHBXTRAXHPTSN-NSHDSACASA-N 270.292 2.173 50 40 CEGB C/C(Cc1ccccc1)=N\NC(=O)c1cc(O)ccc1O 17009184 XWHQFCQSXUGCHU-GZTJUZNOSA-N 284.315 2.446 50 40 CEGB CCCCC[C@@H]1C[C@@H](CC/C(C)=N/NC(N)=O)C(=O)O1 4762620 ZELHUNXPAOWFKO-DYBVGFEPSA-N 283.372 2.323 50 40 CEGB CC(=O)N/N=C/c1cc(Cl)c(O)c(Br)c1 409010684 CZRUNWFYJJTFTC-UUILKARUSA-N 291.532 2.278 50 40 CEGB Cc1ccc(Nc2nc(CC(=O)NN)cs2)cc1Cl 223450771 REXMKTKMVPECKW-UHFFFAOYSA-N 296.783 2.381 50 40 CEGB CNC(=O)[C@]12CC[C@@](C)([C@H]1Br)C2(C)C 100868584 LYQBNJYQQIFZHD-GGVZMXCHSA-N 260.175 2.322 50 40 CEGB O=C(Cl)c1nnc2sc(-c3ccccc3)nn12 57332532 MUNPTGOWMXDFJR-UHFFFAOYSA-N 264.697 2.232 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccccc2N)c1 4045769 LGMHPJPAOCCDOZ-RQZCQDPDSA-N 269.304 2.047 50 40 CEGB CCn1c(=O)n(CC)c2cc(NC(=O)CCCl)ccc21 408528334 HIJVYSOQGMVAFK-UHFFFAOYSA-N 295.770 2.410 50 40 CEGB Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)[nH]1 409194459 CDCPGZRJLZUTJO-ZNBBLSJYSA-N 280.331 2.389 50 40 CEGB COc1cccc2c1N([C@@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260622326 SVOBVNQYHPHFOT-MNOVXSKESA-N 291.395 2.166 50 40 CEGB CC(=O)CC(=O)N(NC(=O)c1ccccc1)c1ccccc1 5631628 GGWKNGYVBYMHCI-UHFFFAOYSA-N 296.326 2.344 50 40 CEGB CCOC(OCC)c1ccc(/C=C(\C#N)C(N)=O)cc1 2558735 HBFVXEWLYQAYII-UKTHLTGXSA-N 274.320 2.150 50 40 CEGB Cc1occc1C(=O)NNC(=O)N(C)C(C1CC1)C1CC1 51244472 ZXPPUZHVAPODTL-UHFFFAOYSA-N 291.351 2.063 50 40 CEGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@H](O)c1ccccc1 497697 XZPRGEIKKWWZRI-YDDPGSGASA-N 293.326 2.352 50 40 CEGB COC(=O)c1cc(NC(=O)CCl)ccc1Cl 8092180 HGMGPQRXXMLXPC-UHFFFAOYSA-N 262.092 2.304 50 40 CEGB O=C(Cl)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775357 PCYOSPJIVAXFAG-UHFFFAOYSA-N 265.656 2.219 50 40 CEGB Cc1cc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)o1 1476698 JYZYELNABPVRLB-LZYBPNLTSA-N 286.287 2.359 50 40 CEGB C=CCc1cccc(/C=N\NC(=O)c2ccccn2)c1O 30721823 PVFUNUKSPYLPDR-WQRHYEAKSA-N 281.315 2.280 50 40 CEGB O=C(CCCl)Nc1cc2ccccc2oc1=O 1614062 HIPRUJFPAJFFCJ-UHFFFAOYSA-N 251.669 2.360 50 40 CEGB CCOC(=O)N/N=C/c1ccc(N(CC)CC)cc1O 256704 KNYPXNKCVVCJLW-XNTDXEJSSA-N 279.340 2.318 50 40 CEGB Cn1cccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 107710465 LVPDESPCAFHKTH-LUAWRHEFSA-N 267.288 2.276 50 40 CEGB C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(C)cc1 5070072 IFLIFGQFFMLZOR-SAPNQHFASA-N 284.363 2.349 50 40 CEGB COc1ccc2c(c1)N([C@H](C)C(=O)NN)C(C)(C)C=C2C 260613218 DUMNXMGPWXHUJM-LLVKDONJSA-N 289.379 2.076 50 40 CEGB O=C(COc1ccccc1Cl)N/N=C/c1ccc[nH]1 4602132 CDIZNWKPKFUPID-LZYBPNLTSA-N 277.711 2.197 50 40 CEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 5380494 QQECJNKYSNLSNM-VCHYOVAHSA-N 289.379 2.032 50 40 CEGB COc1ccc([C@@H]2OC[C@H](CCl)O2)cc1OC 1677018 IAXHXUHAQJAMQG-JOYOIKCWSA-N 258.701 2.357 50 40 CEGB CCOc1ccccc1/C=N\NC(=O)Cc1cccn1C 31841428 CNGDUNHKAALLLB-ATVHPVEESA-N 285.347 2.117 50 40 CEGB O=[N+]([O-])c1ccccc1[C@H](O)CCBr 4614386 JCMLMDWDGUHLDN-SECBINFHSA-N 260.087 2.413 50 40 CEGB O=C1C[C@]2(C[C@H](Cl)N=N2)C(=O)N1c1ccc(F)cc1 4352492 PRIGSDPKGOPNCD-BXKDBHETSA-N 281.674 2.249 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)OCCO2 4599188 JPGYTKUTAZEFGH-WOJGMQOQSA-N 297.314 2.007 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1[N+](=O)[O-] 5942720 ASSPVXXFMPQUHV-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB Cc1cc(C(=O)NN=C2CCCC2)c2c(C)nn(C)c2n1 17009493 UUDIQZDHSGUKOD-UHFFFAOYSA-N 285.351 2.245 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)o1 48516 OOONJKSZBAPVSR-WUXMJOGZSA-N 279.277 2.322 50 40 CEGB Cn1nnnc1[C@@H](Cl)CC(Cl)(Cl)Cl 2451726 CKROKOBXGDZZJX-VKHMYHEASA-N 263.943 2.250 50 40 CEGB CC(C)=NNC(=O)C(=O)Nc1ccc(C(C)C)cc1 59515728 UNYUARQUPZIOEG-UHFFFAOYSA-N 261.325 2.261 50 40 CEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC#N 59334792 IKSHAWKTUZBMHW-PTNGSMBKSA-N 295.342 2.313 50 40 CEGB Cc1cc(C)cc(Nc2nc(CC(=O)NN)cs2)c1 223449736 PWANHIPKZBAYDS-UHFFFAOYSA-N 276.365 2.036 50 40 CEGB C[C@H]1CC(C)(C)N(CC(=O)NN)c2cc(Cl)ccc21 223828999 NBNNBFGOEZXEOY-VIFPVBQESA-N 281.787 2.422 50 40 CEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1O 173538 ARNDLRPDRRFDPW-LICLKQGHSA-N 294.314 2.112 50 40 CEGB COc1cc(O)c(/C=N/NC(=O)OC(C)(C)C)c(OC)c1 6159264 XJLYLKIGQLWCES-OVCLIPMQSA-N 296.323 2.268 50 40 CEGB CC(C)(C)OC(=O)N[C@@H]1COC[C@H](Br)C1 952958910 OGMLCLNFCCCNRV-SFYZADRCSA-N 280.162 2.064 50 40 CEGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 409372844 OKRVYNCMBLUUHF-GXDHUFHOSA-N 284.315 2.141 50 40 CEGB CCOC(=O)C[C@H](C)NC(=O)Oc1ccc([N+](=O)[O-])cc1 218256583 VOFLHUSHNHGWQZ-VIFPVBQESA-N 296.279 2.025 50 40 CEGB NNC(=O)c1ccc(-c2ccccc2Br)o1 216737387 ZTZDSSAROQQMNU-UHFFFAOYSA-N 281.109 2.313 50 40 CEGB CC1=C[C@]2(Nc3cc(C)c(C)cc3O2)C(C#N)=C(N)O1 40545170 GNICNMKSMWZZRF-OAHLLOKOSA-N 269.304 2.432 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@H]5C(=O)[C@@H]42 253390717 DYJXAYHLFCEUAR-CVFRCQFYSA-N 253.139 2.097 50 40 CEGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccc2ccccc12 12060873 PQKIXDOZWVHQKI-ABAIWWIYSA-N 282.343 2.186 50 40 CEGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccco1 13004619 LHRPETIJDOQHDR-UHFFFAOYSA-N 297.314 2.155 50 40 CEGB COC(=O)c1nc(Cl)ccc1CBr 95763609 ZFICKJVDIPJFIA-UHFFFAOYSA-N 264.506 2.417 50 40 CEGB C[C@H](Cl)C(=O)Nc1c(C(N)=O)oc2ccccc12 4851899 DUSXAXPGLVUUCI-LURJTMIESA-N 266.684 2.098 50 40 CEGB CCc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 369428 ZYDHZTBAQPOWED-IQFISFIMSA-N 282.343 2.433 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccco2)cccc1[N+](=O)[O-] 59447394 HOXFWTQHLSEKHD-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB CC(C)N(CCCl)/N=N\c1nc2c(O)ncnc2[nH]1 104368858 OGBXWJXLHGQAMC-MSUUIHNZSA-N 283.723 2.006 50 40 CEGB COC(=O)[C@H](Br)c1cccc(OC)c1 1761977 YWMCHHGKDMGQPQ-SECBINFHSA-N 259.099 2.304 50 40 CEGB C/C(=N/NC(=O)CC1(C)OCCO1)c1ccc(C)cc1C 408591157 RQQNMKLATNIDRY-LGMDPLHJSA-N 290.363 2.297 50 40 CEGB NC(=O)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3 4423642 IACRCBUETMKDJV-FRKPEAEDSA-N 273.292 2.019 50 40 CEGB Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1C 8733226 MXSBADNVYLUGTO-LLVKDONJSA-N 282.771 2.376 50 40 CEGB COc1ccc2c(c1)C(C)(C)CC/C2=N/NC(N)=O 31667260 AHYKEKPWPPBUTI-VBKFSLOCSA-N 261.325 2.139 50 40 CEGB CCS(=O)(=O)[C@H](Cl)C(=O)c1cccc(F)c1 96517809 ZDTZEIPEKAMEEB-JTQLQIEISA-N 264.705 2.008 50 40 CEGB O=C(NC1CC1)[C@@H](Br)Cc1ccccc1 95097275 ABYCEPXYEITTRZ-NSHDSACASA-N 268.154 2.271 50 40 CEGB Cc1occc1C(=O)NNC(=O)N1CCc2ccccc2C1 32795447 NXBUWAPBYPMIGO-UHFFFAOYSA-N 299.330 2.001 50 40 CEGB CC[C@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)c1ccccc1 103100182 OBKVIZMONBBESF-UROBUVALSA-N 286.331 2.049 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccccc1OCC 6389222 CWYJTOIFRRDENA-UHFFFAOYSA-N 281.381 2.203 50 40 CEGB CC(C)(C)C(=O)NNC(=O)c1ccccc1Br 8556102 KUDJWGLXHSRQMI-UHFFFAOYSA-N 299.168 2.256 50 40 CEGB C=CCOc1ccc(/C=N\NC(=O)C(C)C)cc1OC 83318649 LDLCWBPIBLJEGH-YBEGLDIGSA-N 276.336 2.366 50 40 CEGB CCCC(=O)OC[C@H](Br)CBr 2045592 QBSSONRXVOSUDT-ZCFIWIBFSA-N 287.979 2.488 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)c2ccc(F)cc2)C1 1101548 FLBPDQNHIHHKFV-UHFFFAOYSA-N 276.311 2.333 50 40 CEGB COc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1 516518 SYVUAXDXSVFDEE-VAWYXSNFSA-N 296.326 2.170 50 40 CEGB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCl 8183764 MCJIAIWOYWHMIU-UHFFFAOYSA-N 271.744 2.291 50 40 CEGB O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccccc1 6060720 HQNKXEVNJBAXPW-UHFFFAOYSA-N 299.717 2.426 50 40 CEGB COCCOC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1 6424911 VRDLYFXZZMATCD-JYRVWZFOSA-N 275.304 2.106 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(C)nc2)c(OC)c1 4724707 FHHILYTZEWBPAP-ZDLGFXPLSA-N 299.330 2.171 50 40 CEGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(N)=O)cc1 408887933 UXGXJZMHWUKTLE-VCHYOVAHSA-N 297.314 2.216 50 40 CEGB O=c1cc(CBr)c2ccc(O)cc2o1 1081298 XFNVWGFZARBVBT-UHFFFAOYSA-N 255.067 2.394 50 40 CEGB CCOC(=O)/C(C#N)=C(\S)NCc1ccccc1 2388132 UDJXSEHZEDIJCI-QXMHVHEDSA-N 262.334 2.004 50 40 CEGB CCCCC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl 1555549 FUYMKVDABYLDFR-SVRRBLITSA-N 276.591 2.412 50 40 CEGB CC(C)(C(=O)NNC(=O)c1ccoc1)c1ccccc1 61486270 AXOIGLWNHIDTFV-UHFFFAOYSA-N 272.304 2.018 50 40 CEGB CC1=CC(C)(C)N(CC(=O)NN)c2cc(Cl)ccc21 223824964 VWYAJVAWKPSIRP-UHFFFAOYSA-N 279.771 2.332 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc(C)cc2)c1O 83295496 DTIBYUZHZWFXKF-YVLHZVERSA-N 284.315 2.473 50 40 CEGB C[C@@H](Br)C(=O)Nc1cnn(CCCCF)c1 96508990 PCDVIKAHKPQETM-MRVPVSSYSA-N 292.152 2.355 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1[C@@H]1C[C@H]2C=C[C@H]1C21CC1 254843184 DSBLULULHWSSMR-KBVBSXBZSA-N 296.399 2.339 50 40 CEGB CCOC(=O)[C@@H](Br)C1CC(F)(F)C1 953019013 HTNIANAWFMBWNQ-LURJTMIESA-N 257.074 2.358 50 40 CEGB C/C(=N/NC(=O)c1ccc(N)cc1)c1cccc(N)c1 258845 IGIYRNMPMIXRKD-ZDLGFXPLSA-N 268.320 2.005 50 40 CEGB CCOC(=O)/C(C#N)=C/c1ccc(OC(C)=O)cc1 248084 FSNFGYAYPSDSPH-XYOKQWHBSA-N 259.261 2.082 50 40 CEGB C/C(=N\NC(=O)NC1CCCCC1)c1ccc(O)cc1O 105508136 YSMWUSFQNQRKIX-LICLKQGHSA-N 291.351 2.454 50 40 CEGB CCC(=O)NNC(=S)Nc1cccc(Cl)c1C 6396519 IUZQEPTZRSRURX-UHFFFAOYSA-N 271.773 2.376 50 40 CEGB C=CCNC(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1 9613591 JPAMDMISURRSRV-MDWZMJQESA-N 256.305 2.218 50 40 CEGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccnc1)OCO3 78546972 WWOXMWAQIXAXDS-OAHLLOKOSA-N 293.282 2.028 50 40 CEGB CC(C)(C)OC(=O)N/N=C(\N)c1ccccc1Cl 43769296 CIJMJRNJNIGRNM-UHFFFAOYSA-N 269.732 2.485 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccs2)c1 263009 SCNAGMSTMXNCHB-OQLLNIDSSA-N 287.344 2.470 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccco1 70548 OKZKYYNRGXMAEH-CMDGGOBGSA-N 270.288 2.062 50 40 CEGB COc1ccc([N+](=O)[O-])cc1NC(=O)C(Cl)Cl 1699692 AOTIOGOVSUBZJD-UHFFFAOYSA-N 279.079 2.346 50 40 CEGB O=C(OCCBr)C(Cl)(Cl)Cl 1682288 TXRVTZLEDNFMHM-UHFFFAOYSA-N 270.337 2.295 50 40 CEGB NCCCCCC(=O)N/N=C/C1=Cc2ccccc2OC1 1878748 PCZMZLVFPDEJOT-WOJGMQOQSA-N 287.363 2.084 50 40 CEGB CN(CCOc1ccc(Cl)cc1)C(=O)CCl 4219092 ANGGQLPUJIMCCS-UHFFFAOYSA-N 262.136 2.416 50 40 CEGB C[C@H](Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C 8428164 KZQJRLJQZBOKNH-QMMMGPOBSA-N 266.728 2.378 50 40 CEGB CC(=O)Nc1cc([N+](=O)[O-])c2onc(CCl)c2c1 65336665 UKIPRRKNWCKXAQ-UHFFFAOYSA-N 269.644 2.433 50 40 CEGB CC(C)N(C(=O)CCl)C1CCC(N(C)C)CC1 79406671 CJTPXJRTMCBXLF-UHFFFAOYSA-N 260.809 2.335 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4[C@@H]5C[C@@H]3[C@H]1[C@H]5C(=O)[C@@H]42 253390716 DYJXAYHLFCEUAR-AYVBQZGRSA-N 253.139 2.097 50 40 CEGB N=C(N)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 5064890 NLOSDEDWMADKHQ-UHFFFAOYSA-N 285.259 2.098 50 40 CEGB O=C(CCBr)CCC(=O)CCBr 1794067 GRGIABFWIHZAEY-UHFFFAOYSA-N 299.990 2.475 50 40 CEGB Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cccc32)cc1 6009122 CIASVNDMFLBCHY-UHFFFAOYSA-N 293.326 2.390 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)CC1CCCC1 8089969 XUUWJULBMNPOKN-UHFFFAOYSA-N 260.337 2.336 50 40 CEGB COc1cc2ccc(/C(C)=N/NC=O)cc2cc1OC 4972400 NFYDNGPQKOKURJ-LICLKQGHSA-N 272.304 2.327 50 40 CEGB CC(=O)O[C@H](CBr)CCCBr 6130001 JGMIHIAAGUSENI-ZETCQYMHSA-N 287.979 2.488 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc(O)c(O)c2)cc1 109349580 LZSKZSUTTCJXOB-SXGWCWSVSA-N 270.288 2.170 50 40 CEGB CCCC(=O)OC(=O)c1ccccc1C(=O)OCC 104393724 SCFJKLCFXWWBMF-UHFFFAOYSA-N 264.277 2.347 50 40 CEGB CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCl)C1 79408804 DAQLEUKVQRINQZ-SNVBAGLBSA-N 290.791 2.083 50 40 CEGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(N)=O 211993076 RPZIQSMCUUTUTH-JLHYYAGUSA-N 276.295 2.244 50 40 CEGB N#CCOc1ccccc1/C=N/NC(=O)Cc1ccccc1 14134903 JMWKKUDOSSIPBP-CPNJWEJPSA-N 293.326 2.282 50 40 CEGB CC1=C(C#N)/C(=C/Nc2ccc(F)cc2)CC(=O)N1 100101199 HKIYZDRSLWROOK-CSKARUKUSA-N 257.268 2.439 50 40 CEGB N#Cc1ccc(N2CC[C@H](Br)C2=O)cc1 33995035 WPIZASJVDDJWKA-JTQLQIEISA-N 265.110 2.058 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1 97991735 RVQGIYQNRBVDBU-IQBXMYBCSA-N 269.348 2.475 50 40 CEGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC)cc1 16699604 RDKJHHDFDWYBFP-RAXLEYEMSA-N 257.337 2.186 50 40 CEGB Cc1ccccc1COc1cccc(C(=O)NN)c1 226318700 IRYVAYGTOZPZDO-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB COc1cccc(C(=O)OCCBr)c1 1719470 AYGLAAMIOKSUMW-UHFFFAOYSA-N 259.099 2.247 50 40 CEGB COc1ccccc1C[C@H](Br)C(=O)O 107843423 BUQLBPGFKKAYNQ-QMMMGPOBSA-N 259.099 2.086 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1ccccc1[N+](=O)[O-] 5010159 VYSYTHOAFXLYJY-ZROIWOOFSA-N 289.316 2.349 50 40 CEGB CC1(CC(=O)N/N=C/c2ccccc2O)SCCS1 409366607 XAAQEDSPLAKMLP-NTEUORMPSA-N 296.417 2.429 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1 32704955 RBBZGVGUTXPXMC-MFOYZWKCSA-N 298.298 2.188 50 40 CEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@H](C#N)[C@H]1c1ccccc1Cl 66087966 SBBXHGXDYWUQFJ-UXIGCNINSA-N 293.717 2.347 50 40 CEGB CN(C)C[C@H]1CCCCC[C@H](Br)C1=O 5119401 LYTSDVPPPFCMCZ-ZJUUUORDSA-N 262.191 2.461 50 40 CEGB CCc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1 140716 AJCAMHFWRRQQSQ-LZYBPNLTSA-N 288.376 2.360 50 40 CEGB Cc1occc1C(=O)NNC(=O)c1cc2c(s1)CCC2 8191253 UGFPJWAOQQVZQV-UHFFFAOYSA-N 290.344 2.213 50 40 CEGB Cc1c(/C=C(\C#N)C(=O)Nc2nccs2)cc(C#N)n1C 3324174 FGZMKSJNNKQNGE-VZUCSPMQSA-N 297.343 2.207 50 40 CEGB CCOC(=O)c1cc(C(=O)Cl)n(CCC(F)(F)F)n1 408717873 YQPGDXKEFCJQGB-UHFFFAOYSA-N 298.648 2.391 50 40 CEGB COC(=O)/C(C#N)=C(\C=C/N(C)C)c1ccc(OC)cc1 44154466 NUWARNSKSRZKIU-PJYIHAPCSA-N 286.331 2.221 50 40 CEGB C[C@H](Cl)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 158305 KUAMAMZUHNQQKR-NSHDSACASA-N 291.782 2.444 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccc(CN2CCOCC2)cc1 40430293 SURQMZLCMCZUDE-LLVKDONJSA-N 282.771 2.085 50 40 CEGB COc1ccc(NCC(=O)N/N=C2/C[C@H]3CC=C[C@H]23)cc1 33579047 ZXXGDLGDOICETD-IFVXTVMESA-N 285.347 2.175 50 40 CEGB Cc1cc(C(=O)NCCCCl)ccc1[N+](=O)[O-] 2801320 UXHNZRQUEZZSNO-UHFFFAOYSA-N 256.689 2.262 50 40 CEGB O=C(C[C@H]1C=CCC1)NNC(=O)c1c[nH]c2ccccc12 14183465 UXZVEIOVMUOLOY-NSHDSACASA-N 283.331 2.285 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 252624 PGOWOWUIBXTVAN-RQZCQDPDSA-N 298.298 2.188 50 40 CEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1O 59334616 WHARFAFRDKHCHV-YHYXMXQVSA-N 294.738 2.439 50 40 CEGB C[C@H](Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 35222652 ZHUYXQJPSVQHBT-AAEUAGOBSA-N 266.772 2.004 50 40 CEGB in-vitro Cc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1 30802924 WUIAPZRJQJTDST-MFOYZWKCSA-N 253.305 2.462 50 40 CEGB CCCn1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253407226 VTLIONNAWMSNIO-CQSZACIVSA-N 298.346 2.108 50 40 CEGB COC(=O)Cc1cccc(F)c1CBr 169796655 GZDWXFWXEMGFKH-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)C1 100580231 KRWVMPMOIJUORO-GYSYKLTISA-N 276.380 2.316 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)o1 57786977 CFMJLAXBKCXFHF-CXUHLZMHSA-N 253.261 2.224 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1O 13940377 XWFHIXRKHIQEGW-XYOKQWHBSA-N 286.331 2.367 50 40 CEGB CC1=C[C@@]2(Nc3cc(Cl)ccc3O2)C(C#N)=C(N)O1 40545231 CUXIURRIFOGZTM-ZDUSSCGKSA-N 275.695 2.468 50 40 CEGB CCN(CCCl)C[C@@H]1COc2ccccc2O1 95849783 BBKJOXYHLYDPEC-LLVKDONJSA-N 255.745 2.387 50 40 CEGB Cc1ccc(SCC(=O)NNC(=O)C2CCCC2)cc1 6428808 ITGBBNAJJWKHGJ-UHFFFAOYSA-N 292.404 2.425 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 558890 VQWWTJHAIQZXTH-KEBDBYFISA-N 292.273 2.333 50 40 CEGB CCCCNC(=O)NNC(=O)c1csc2c1CCCC2 2761753 WAKLAVHIDWSBSS-UHFFFAOYSA-N 295.408 2.371 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc3[nH]cnc3c2)c1 32577017 OVMZYEZFWNIAQU-OCKHKDLRSA-N 294.314 2.335 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(F)cc1F 19625976 GCVOEPYFYISOOG-UHFFFAOYSA-N 290.298 2.183 50 40 CEGB NNC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 2508555 MKSWATROUJEGJY-UHFFFAOYSA-N 298.129 2.156 50 40 CEGB BrC[C@H]1CN=C(N2CCCCC2)S1 321257 XCHOFYVFLBEPLN-QMMMGPOBSA-N 263.204 2.339 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccco2)cc1OC 100306143 DUBMAOPSHFSFAX-DHDCSXOGSA-N 274.276 2.061 50 40 CEGB CCOC(=O)NNC(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101047912 DVWYAQGOINMJHN-BHDSKKPTSA-N 283.372 2.162 50 40 CEGB CCc1ccc(C(=O)NNC(=O)C2CCCC2)cc1 5633987 JSBQBOPDAUERCE-UHFFFAOYSA-N 260.337 2.200 50 40 CEGB CC/C(=N\NC(=O)[C@H]1COc2ccccc2O1)C(C)C 5781274 XZPDXOZZJKZJCJ-DSQDWWTGSA-N 276.336 2.365 50 40 CEGB CCC(CC)=NNC(=O)CSc1nc(C)cc(C)n1 20986339 CIWHRAFLMVKXEL-UHFFFAOYSA-N 280.397 2.478 50 40 CEGB O=C1C(=O)N(CCCl)c2ccc(Br)cc21 2271897 WHEUPDAIWDZKHH-UHFFFAOYSA-N 288.528 2.217 50 40 CEGB O=C(NNC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 8355067 HLVXSSFSZDHCRT-UHFFFAOYSA-N 298.220 2.373 50 40 CEGB CNC(=O)N/N=C(\C)c1sc(C(C)(C)C)nc1C 84062029 MHQGQJSETOAELA-OVCLIPMQSA-N 268.386 2.402 50 40 CEGB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@@H](C)C(=O)NN 223195401 UCHZZEXMGUGXSP-RYUDHWBXSA-N 275.396 2.466 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccccc1C 96518963 VDADFDSXPVBBNR-WDEREUQCSA-N 262.758 2.028 50 40 CEGB COCCNC(=O)CCCC[C@H]1CCSS1 96114814 UWNVJIRKBZIPGC-JTQLQIEISA-N 263.428 2.463 50 40 CEGB biogenic C[C@H]1CN1[P@](=O)(N1C[C@H]1C)N1[C@H](C)CC[C@H]1C 263632864 CQRYKXDHRSDBKV-HQFIGCLWSA-N 257.318 2.376 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccccc2N)cc1 1739324 BYTYANJPQVJLFL-LICLKQGHSA-N 253.305 2.341 50 40 CEGB O=C(CSc1ccccc1)N/N=C/c1ccncc1 59165361 LZHSVRKCUDGZFK-MHWRWJLKSA-N 271.345 2.324 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C[C@@H]2CC[C@H]1C2 20457643 LMDYJALQGMNNBR-UWLOGMJLSA-N 287.319 2.430 50 40 CEGB CCN1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1 55008976 MNQCBHXPOOMLKC-UHFFFAOYSA-N 284.363 2.369 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccccc2F)cn1 4724682 NJUXWYGTKXUTBF-MFOYZWKCSA-N 257.268 2.293 50 40 CEGB Cc1nc2ccc(CBr)cc2c(=O)[nH]1 21983159 YAHALGNQKDVJLJ-UHFFFAOYSA-N 253.099 2.126 50 40 CEGB in-vitro CCOC(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 45070980 DVWYAQGOINMJHN-RULNRJAQSA-N 283.372 2.162 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 487176 XOLSLYRPCGDUFG-KEBDBYFISA-N 296.305 2.260 50 40 CEGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(C)o2)c1 239284 OBJLCGGZJIYKBL-CXUHLZMHSA-N 288.303 2.369 50 40 CEGB Cn1c(SC[C@@H](O)CCl)nnc1-c1ccccc1 496207 ZYUHFPMOGSEIIC-JTQLQIEISA-N 283.784 2.174 50 40 CEGB C[C@H](Cl)C(=O)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 5175365 LVLQKRKPDYCVHR-YUMQZZPRSA-N 267.712 2.240 50 40 CEGB CCOc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 8845700 BCTATPUXLBFJIL-AWEZNQCLSA-N 296.330 2.335 50 40 CEGB CC(C)(C)OC(=O)NC(C)(C)C(=O)OCCl 36428103 ZVIVWDWVAWCELW-UHFFFAOYSA-N 251.710 2.029 50 40 CEGB CC(C)n1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253395877 CRGDNUWRFOLBSO-CQSZACIVSA-N 298.346 2.279 50 40 CEGB CCOC(=O)N/N=C/c1cc(Br)ccc1O 171986 UTOMKXNZSDRRCM-WUXMJOGZSA-N 287.113 2.235 50 40 CEGB COC(=O)N[C@@H]1CCCC[C@H]1I 1708285 YLUSDZORDPJHJE-RNFRBKRXSA-N 283.109 2.089 50 40 CEGB CCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1 3894781 PUVJYPHYNFTFMM-UHFFFAOYSA-N 264.325 2.419 50 40 CEGB Cc1nnn(C23C[C@@H]4C[C@H](CC(CC(=O)Cl)(C4)C2)C3)n1 100776253 LUNMACCQJSXBFJ-IENTYSSBSA-N 294.786 2.433 50 40 CEGB Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1ccccc1 16268595 LUVMABWEFWBUNX-ZROIWOOFSA-N 265.316 2.486 50 40 CEGB CCOc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1 7061133 MRXLKMFDTWUBPU-UHFFFAOYSA-N 288.303 2.062 50 40 CEGB CC(=O)Oc1c(CBr)cccc1C(=O)O 1682308 GWROISSNWVWFNW-UHFFFAOYSA-N 273.082 2.205 50 40 CEGB CNC(=O)/C(C#N)=C/c1cccn1-c1ccccc1 566177 LAIOLNWWEWMAKM-ZRDIBKRKSA-N 251.289 2.130 50 40 CEGB O=C(Cl)c1nnc2sc(-c3ccc(F)cc3)nn12 57338989 VNQUFFCRNRIYGM-UHFFFAOYSA-N 282.687 2.371 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCCC1 15529888 BEJAVHRYQNXWBE-UHFFFAOYSA-N 280.755 2.220 50 40 CEGB OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1 219951679 QIXPSFYLBFVSII-UHFFFAOYSA-N 287.127 2.464 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1c(F)cccc1Cl 5863954 VVLYLZXZNGGOBO-VQHVLOKHSA-N 282.702 2.149 50 40 CEGB CC(C)Oc1ccc(Cl)cc1/C=N/NC(=O)C(C)(C)O 32578385 WONKIWKLNYKWAI-LZYBPNLTSA-N 298.770 2.348 50 40 CEGB CCCCCC[C@@H](C)NCCSS(=O)(=O)O 31343612 GELSHDSHYUNPQC-SNVBAGLBSA-N 269.432 2.471 50 40 CEGB CCOC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 17472992 IWQRCBZQMMJJTI-FMIVXFBMSA-N 256.261 2.059 50 40 CEGB CCO[Si](OCC)(OCC)OCC(F)(F)C(F)F 169806562 ZTMBCYWQUNERPP-UHFFFAOYSA-N 294.317 2.449 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccco2)cc1OC 5514185 VOUFMTUXDABQGS-DHDCSXOGSA-N 274.276 2.061 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1 4756477 PBUDCXRFJGZKPW-XNTDXEJSSA-N 258.277 2.442 50 40 CEGB CC(C)OC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1 57405727 KFXZEFCHTHMZKA-YHYXMXQVSA-N 276.248 2.159 50 40 CEGB CCCC(=O)NNC(=S)N[C@H](C)c1ccccc1 6397348 ASXMUCBJFFWTKF-SNVBAGLBSA-N 265.382 2.043 50 40 CEGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccccc1 216899946 HBPKXUNZPVPJFS-CSKARUKUSA-N 298.342 2.277 50 40 CEGB COc1ccc(Cl)cc1N1C[C@H](C(=O)Cl)CC1=O 45953074 MZFZEZBNWHAABS-SSDOTTSWSA-N 288.130 2.467 50 40 CEGB O=C(NNC1=NC[C@@H]2CCCC[C@@H]12)c1ccccc1 255189887 SUVKYOOENFHQAN-QWHCGFSZSA-N 257.337 2.140 50 40 CEGB COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccncc1 5335557 UPPJTOFWTUHVBB-OAHLLOKOSA-N 279.299 2.308 50 40 CEGB C=CCOC(=O)[C@@](C)(O)[C@@H](Cl)c1ccccc1 1734212 LCDVPJINJIWRFP-AAEUAGOBSA-N 254.713 2.447 50 40 CEGB O=C(NNc1ccccc1)c1cc2ccc(O)cc2oc1=O 16490262 JCQWYKXLXBRHRA-UHFFFAOYSA-N 296.282 2.256 50 40 CEGB Cn1cc(Cl)c(C(=O)N/N=C/[C@H]2CC=CCC2)n1 4940394 HYWXHORBFJKNQC-DUJAKZANSA-N 266.732 2.145 50 40 CEGB CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1 17009447 NUJKMEFAWSTNRK-YVLHZVERSA-N 285.303 2.392 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)n1 408980117 VCFHBQHMRGCUCR-OWBHPGMISA-N 292.298 2.070 50 40 CEGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NC1CCCC1 297131519 YZCMKICEKIONQL-LCYFTJDESA-N 298.342 2.424 50 40 CEGB C/C(=N/NC(=O)c1cnccn1)c1ccc(Cl)cc1 228583 QHUWHTLRWWNPGY-MFOYZWKCSA-N 274.711 2.284 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)o1 5618429 HSPLNFNWKUNZBW-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)c1ccccc1O 13151915 HTZKKYNNKBGMRZ-OKHBPPCESA-N 292.335 2.087 50 40 CEGB COc1ccc(C2(C#N)CCC(O)(C#N)CC2)cc1OC 100020818 ITAZKJGLJISRSM-UHFFFAOYSA-N 286.331 2.294 50 40 CEGB Nc1ccc(C(=O)N/N=C/c2c(F)cccc2F)cc1 3260972 PYXQOHZXUXFYAO-QGMBQPNBSA-N 275.258 2.311 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2c(C)noc2C(C)C)n1 12927651 YNYLDZPJRDJZDZ-UHFFFAOYSA-N 289.339 2.270 50 40 CEGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)CC#N 6235817 KSBBJCSPVQGVCR-VCHYOVAHSA-N 288.326 2.098 50 40 CEGB O=C(Nc1ccccc1N1CCOCC1)C(Cl)Cl 3116949 UKHXTMTYCVWLIU-UHFFFAOYSA-N 289.162 2.265 50 40 CEGB O=C(N/N=C/c1ccccc1)c1ccc2c(c1)OCO2 361122 HRIRAUIMKLPPRU-CXUHLZMHSA-N 268.272 2.179 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1cc([N+](=O)[O-])cs1 6645914 STLYGGYRKZZVNV-RIYZIHGNSA-N 290.304 2.205 50 40 CEGB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCl 95863142 CUIVFSYVBKQCQF-UHFFFAOYSA-N 277.755 2.344 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2)c(F)c1 2795204 RWXVXQOOOCJLRU-GIJQJNRQSA-N 283.262 2.167 50 40 CEGB Cc1c(C(=O)NNC(=O)c2cccnc2)oc2ccccc12 17448486 RVZLZCIZQNGVMO-UHFFFAOYSA-N 295.298 2.211 50 40 CEGB N[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 3109707 UGKOUYLPEAUWLH-QMMMGPOBSA-N 267.543 2.158 50 40 CEGB CCOc1cccc(/C=N/NC(=O)Cc2ccccc2)c1O 3151351 JWRBVFBSGMKXMH-LDADJPATSA-N 298.342 2.484 50 40 CEGB NNC(=O)c1cn(Cc2cccc(F)c2)c2ccccc12 216946830 MKXLVOBSUZKSKV-UHFFFAOYSA-N 283.306 2.432 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(Sc2ccccn2)o1 13208282 WELHDIDHIQGETF-CXUHLZMHSA-N 286.316 2.190 50 40 CEGB CCOc1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1 10475857 DTUASHMOTITELW-LDADJPATSA-N 298.342 2.484 50 40 CEGB O=C(CCl)NC(=O)CCSc1ccccc1 3285336 DQZUDJVZWLAAKK-UHFFFAOYSA-N 257.742 2.050 50 40 CEGB O=C1CC(c2ccc(OC[C@H]3CCCO3)cc2)CC(=O)O1 217802168 BLANTWRRMBXMFM-CQSZACIVSA-N 290.315 2.192 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(Br)o1 5633224 WMSKSLSKQCJUAA-YVMONPNESA-N 283.125 2.474 50 40 CEGB COC(=O)CCn1c(C)cc(C(=O)CCl)c1C 2619050 WADNAMZKNBQKCP-UHFFFAOYSA-N 257.717 2.090 50 40 CEGB COc1cc(C)c(/C=N/NC(=O)c2ccncc2)cc1OC 408548339 GNZWIPOMRMYTGN-VCHYOVAHSA-N 299.330 2.171 50 40 CEGB C[C@@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CC(=O)O 225450153 CQENDPLRWOGOPD-SSQAQTMGSA-N 275.142 2.230 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccncc2)n1 408977221 HTFASVXCLZEKPC-MDWZMJQESA-N 252.277 2.142 50 40 CEGB ClCc1nn2c(CN3CCCCCC3)nnc2s1 71260626 KNUZZLRDESMLDD-UHFFFAOYSA-N 285.804 2.301 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2)cc1 31637949 SHSNILXAPAXVEH-WJDWOHSUSA-N 254.289 2.459 50 40 CEGB C=C1[C@@](C)(CBr)[C@H]2CC[C@@]1(C(N)=O)C2 100319144 XNFCJDUDXXIGMC-JMJZKYOTSA-N 258.159 2.229 50 40 CEGB biogenic COc1ccc(OC)c(C#CCBr)c1 95632956 KTHIRLJESODFDN-UHFFFAOYSA-N 255.111 2.450 50 40 CEGB C#CC1(OC[C@H](CCl)OC(N)=O)CCCCC1 5500208 YKJIYFHEFBYUIE-JTQLQIEISA-N 259.733 2.042 50 40 CEGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OC(F)F 7154715 OLUOOMJPJLKWGB-WEVVVXLNSA-N 282.246 2.079 50 40 CEGB CCOC(=O)/C(C#N)=C(/SC)Sc1ncccn1 6438864 ARGDFWARJYRTEY-NTMALXAHSA-N 281.362 2.230 50 40 CEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OC 59334420 VAHRFTDWAWAORK-WQLSENKSSA-N 274.320 2.089 50 40 CEGB COc1ccccc1C(=O)N/N=C(/C)c1ccncc1 482734 WSENAFWEVZPSJK-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB COc1cc(NC(=O)[C@H](C)Cl)cc(OC)c1OC 19478768 JCHCUMMWUNZOCI-ZETCQYMHSA-N 273.716 2.278 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1cccc(O)c1O 59133 ACXVYMLZTBJNOP-GZTJUZNOSA-N 284.315 2.181 50 40 CEGB CCOc1ccc2[nH]c(=O)c(C=C(C#N)C#N)cc2c1 421503 STQWCGSQDVXPDT-UHFFFAOYSA-N 265.272 2.357 50 40 CEGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1 3298706 XTWVPKYLWXUUHK-CMDGGOBGSA-N 270.288 2.062 50 40 CEGB CCOC(=O)c1cccc(NC(=O)NCCCl)c1 15020378 BKIXWHLSZMQYCT-UHFFFAOYSA-N 270.716 2.224 50 40 CEGB C/C=C/[C@H]1OC[C@@H](COC(CCl)CCl)O1 5371859 PGJVQSNRYLCRCO-NBYFHADBSA-N 255.141 2.167 50 40 CEGB NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1 226332487 RQICTBSZAOMSQT-BJMVGYQFSA-N 286.306 2.408 50 40 CEGB CC/C(=N/NC(=O)c1ccccn1)c1ccc(O)cc1 13596451 BWCOYZWUSKMVKH-LGMDPLHJSA-N 269.304 2.331 50 40 CEGB C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 101209873 BLUAFEHZUWYNDE-WIDFLRBVSA-N 282.336 2.395 50 40 CEGB C[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cccc2ccccc12 12060875 PQKIXDOZWVHQKI-IAQYHMDHSA-N 282.343 2.186 50 40 CEGB CC(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl 408727784 GPCKIQXNTMBQCT-MKMNVTDBSA-N 292.682 2.266 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NC(C)C)c(C)c1 408767897 QSFDDGNYIOEHDZ-JYRVWZFOSA-N 258.321 2.435 50 40 CEGB O=C(Cl)Cc1cccc(-c2nn3cnnc3s2)c1 41126860 KTQYSLIDMOKZCG-UHFFFAOYSA-N 278.724 2.161 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1cccc(Cl)c1 96518919 ASJYTZRAJJTLRS-VHSXEESVSA-N 283.176 2.373 50 40 CEGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 13372543 XUBQJPQRUGEAET-OVCLIPMQSA-N 291.238 2.481 50 40 CEGB N#C/C(=C\N=C(\N)S)c1nc2ccccc2s1 17223390 XVDHVKANGBUORM-VOTSOKGWSA-N 260.347 2.405 50 40 CEGB CCn1nc(C)c(Br)c1C(=O)Cl 2555776 PRIQRBJWODQUPD-UHFFFAOYSA-N 251.511 2.353 50 40 CEGB O=C(CBr)Nc1nnc(C2CCC2)s1 4986672 FJNWYSTXBVHUPM-UHFFFAOYSA-N 276.159 2.139 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2\C[C@H]3C=CC[C@H]23)cc1 20786026 RVQGIYQNRBVDBU-TTZHPMMLSA-N 269.348 2.475 50 40 CEGB O=C(Cc1cccs1)NNC(=O)Nc1ccccc1 35623043 SATUKOZXRWLRPR-UHFFFAOYSA-N 275.333 2.144 50 40 CEGB O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)OC2=O 22247788 JAWJPMDWGCFVLO-UHFFFAOYSA-N 267.240 2.250 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1C 408779584 ZAOQALSHUXLRGQ-CXUHLZMHSA-N 271.320 2.111 50 40 CEGB CCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 71404755 CSJXUIHJPRVXPN-GXSJLCMTSA-O 264.773 2.108 50 40 CEGB C[C@@H](CC(=O)NNC(=O)c1ccncc1)c1ccccc1 13004679 KJOWFSHNLLZBNC-LBPRGKRZSA-N 283.331 2.036 50 40 CEGB CN(C)/N=C(\CBr)c1ccc([N+](=O)[O-])cc1 16954886 RPDCNARFLJMISI-ZRDIBKRKSA-N 286.129 2.255 50 40 CEGB COc1cc(C(=O)NN)ccc1OCc1ccc(F)cc1 226319770 YWZMHSCJWZXTBL-UHFFFAOYSA-N 290.294 2.017 50 40 CEGB CC[C@@H](C)[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1 75213627 HGTROHKIJPHMEP-AZCASUJJSA-N 276.336 2.100 50 40 CEGB COc1ccc([C@@H]2OC[C@@H](CCl)O2)cc1OC 1677016 IAXHXUHAQJAMQG-BXKDBHETSA-N 258.701 2.357 50 40 CEGB COc1cccc(OC)c1/C=N/NC(=O)c1ccco1 6583720 DZUJBGPEHGJDQN-OQLLNIDSSA-N 274.276 2.061 50 40 CEGB CC1=NO[C@H]2NC(=O)C(C#N)=C(c3ccc(Cl)cc3)[C@@H]12 6591494 VICAGLBTYOFRIE-BXUZGUMPSA-N 287.706 2.095 50 40 CEGB CC1(C)[C@@]2(CBr)CC[C@@]1(C(=O)O)CC2=O 100836864 NTSSPDOOLSTINY-WDEREUQCSA-N 275.142 2.232 50 40 CEGB Cc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 100436043 UXXJVBXDGPNWEC-OBGWFSINSA-N 293.326 2.106 50 40 CEGB O=C(NNC(=O)[C@H]1CC=CCC1)c1ccc2ccccc2n1 12740265 KXLZTXVQXALPAD-ZDUSSCGKSA-N 295.342 2.352 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1ccc(C#N)cc1 5415479 MRMREKBZDYLSCL-WOJGMQOQSA-N 264.288 2.107 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 114422 BZGRXXCXNQVDJK-LICLKQGHSA-N 265.272 2.028 50 40 CEGB CCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 3018108 UITXFWHDAFWFJV-YAJBTMAUSA-N 298.342 2.269 50 40 CEGB C/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(N)cc1 12572110 NTAZMDDQZGTHFA-VCHYOVAHSA-N 268.320 2.005 50 40 CEGB COc1ccc(C(=O)NN)cc1OCc1cccc(F)c1 226318909 QMXUXCQLXSIVGU-UHFFFAOYSA-N 290.294 2.017 50 40 CEGB N#C/C(N)=C(C#N)/N=C/c1cccc(C(F)(F)F)c1 100429649 LBSUTUIPWBSUPS-RDJDHEBHSA-N 264.210 2.342 50 40 CEGB CCOC(=O)N/N=C(\Cc1ccccc1)OCC 1650836 ZTGRLRHFJBXNBN-WYMLVPIESA-N 250.298 2.325 50 40 CEGB COc1c(C)cnc(Cn2cc(CCCl)nn2)c1C 52225999 UPYSAHYVXZPRJK-UHFFFAOYSA-N 280.759 2.128 50 40 CEGB Cc1cccc(C(=O)NNC(=O)CC2CCCCC2)c1O 4553337 IMOMHYIZDPGMQN-UHFFFAOYSA-N 290.363 2.432 50 40 CEGB O=C(N/N=C\C=C\c1ccco1)c1ccc2c(c1)OCO2 5676696 RZAKTCOQPMIUHL-VBZUPUDZSA-N 284.271 2.437 50 40 CEGB CCC(=O)N/N=C(\C)c1c(C)nn(C(C)C)c1C 95957021 FOYAXDLXCVFLKA-NTEUORMPSA-N 250.346 2.331 50 40 CEGB COCCc1ccc(C(=O)CBr)cc1 72219824 OKHKYBFKFXERJI-UHFFFAOYSA-N 257.127 2.453 50 40 CEGB C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 136396860 BJDCWCLMFKKGEE-YFNMPKMDSA-N 284.352 2.187 50 40 CEGB N#C/C(=C\c1ccc[nH]1)C(=O)NCc1cccs1 286715 QCCOAYLZWHYPSZ-JXMROGBWSA-N 257.318 2.300 50 40 CEGB O=C1N[C@@H](c2cccc(-c3ccccn3)c2)C(=O)O1 1772715017 PWBILDVHTCCAQP-LBPRGKRZSA-N 254.245 2.056 50 40 CEGB COC(=O)N/N=C\c1cc(Br)cs1 4513582 RBUYRXJELLNUFD-OQFOIZHKSA-N 263.116 2.201 50 40 CEGB O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1 12504845 ZMKLMLZZCDRNGW-UHFFFAOYSA-N 287.190 2.223 50 40 CEGB in-vitro Cc1ccc2c(c1)N1CCCC1=C(C#N)S2(=O)=O 67172850 NYGIDFYSJQKTDW-UHFFFAOYSA-N 260.318 2.118 50 40 CEGB C/C(Cc1ccccc1)=N\NC(=O)CN1CCCCC1 408719075 AYLYUPKCMRWBPB-SAPNQHFASA-N 273.380 2.207 50 40 CEGB CC1(CC(=O)NN=C2CCCCCCC2)OCCO1 408825701 FMBWDWNOVYJTBR-UHFFFAOYSA-N 268.357 2.356 50 40 CEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1c[nH]c2ccccc12 252478546 APEKDCHVBMTLDS-QGMBQPNBSA-N 299.309 2.113 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(=O)OC)cc1OC 149322 BQZARNAQAWMPQC-YRNVUSSQSA-N 261.277 2.174 50 40 CEGB CCOC(=O)/C(=N/Nc1ccc(C)cc1C)C(=O)CCl 3267755 QEYOSHMFVXOWOC-GHRIWEEISA-N 296.754 2.442 50 40 CEGB C=C1CC(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1 6645967 CZVCYPCDBNQIRT-RIYZIHGNSA-N 259.265 2.011 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)COc2ccccc2)c1 408526524 CWIXKRUPVCJEAD-LICLKQGHSA-N 284.315 2.230 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)c2ccco2)cc1 31670118 GUQGVNCMOYZRHM-GDNBJRDFSA-N 257.293 2.110 50 40 CEGB NCCSSC/C=C\CSSCCN 5812565 YCZBSGQPOZUFIL-UPHRSURJSA-N 270.514 2.223 50 40 CEGB N#CCCn1cc(/C=C(/C#N)C(=O)O)c(-c2ccccc2)n1 2654606 SNPHBIBDYFGWGI-LCYFTJDESA-N 292.298 2.455 50 40 CEGB O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1 12467101 RXJNRXCEFVROTG-FFBCGVJLSA-N 296.286 2.419 50 40 CEGB N#C/C(C(=O)c1ccccc1)=C1\NC(=O)c2ccccc2N1 1744311 QYRMUWXBWLPSDN-DTQAZKPQSA-N 289.294 2.460 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC 2223439 BKIAXQADXFENOJ-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB C[C@@H](C(=O)O)N(Cc1ccccc1)NC(=O)OC(C)(C)C 2379291 VGRRUKULDYLAHI-NSHDSACASA-N 294.351 2.401 50 40 CEGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(N)=O)o1 5006715 YWVNVZZFBOBOMO-JXMROGBWSA-N 296.282 2.346 50 40 CEGB COc1ccc(/C(C)=N\NC(=O)c2ccncc2)c(OC)c1 5176404 QHSSBHINFGXAPX-WQRHYEAKSA-N 299.330 2.253 50 40 CEGB Cc1cc(N2CCOCC2)ccc1C=C(C#N)C#N 409072090 AYNPDCPEHYDQIN-UHFFFAOYSA-N 253.305 2.262 50 40 CEGB N#CC1=C2CCCCN2c2ccc(F)cc2S1(=O)=O 67172865 WIGOONBBRLVQFZ-UHFFFAOYSA-N 278.308 2.338 50 40 CEGB O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccccc1 254508842 YBEVPNAXTCGIAC-UHFFFAOYSA-N 269.260 2.359 50 40 CEGB N#C/C(C(N)=O)=C(/S)SCc1ccccc1 100013649 CEGBRHVPDVSHBN-PKNBQFBNSA-N 250.348 2.070 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccccc2O)cc1[N+](=O)[O-] 562578 VVUIAIUFUWFIKY-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB CC(/C=C/c1ccco1)=N/NC(=O)c1cccnc1 13111331 XBWPZJMPCZZRSM-TXAFXTDUSA-N 255.277 2.494 50 40 CEGB CCOC(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-] 1712993 GPOGYTFSQNIUFR-WUXMJOGZSA-N 271.660 2.328 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccccc1C(=O)O 33381690 NAJKXQFBRPPTBA-BOPFTXTBSA-N 282.299 2.078 50 40 CEGB CN(C(C#N)=C(Cl)Cl)S(=O)(=O)c1ccccc1 374180 YVYKYLCHYNGJBO-UHFFFAOYSA-N 291.159 2.477 50 40 CEGB Cc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)o1 55008637 RQDINNMXBKVJQK-UHFFFAOYSA-N 263.341 2.178 50 40 CEGB CN(NC(=O)CN1CCCCCC1)c1ccccc1 4350559 AISVHVAOWQVHNU-UHFFFAOYSA-N 261.369 2.030 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC 31740626 LTCJQGHDCIFJRA-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB C[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccccc1O 252429507 XOTFCWDYZATHBY-GFCCVEGCSA-N 284.315 2.310 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1CCc1ccccc1 20000754 QMXBFKYFPLOSKK-UHFFFAOYSA-N 282.372 2.370 50 40 CEGB C[C@@H](NC(=O)NCCCl)c1cccc([N+](=O)[O-])c1 1697882 QOHUKODCGRTSDH-MRVPVSSYSA-N 271.704 2.194 50 40 CEGB O=C(NNC(=O)C1CCCCC1)c1cc(Cl)ccc1O 8156581 HQPLKSSZVATQEI-UHFFFAOYSA-N 296.754 2.387 50 40 CEGB CCC1(CC)[C@H](OC)NC(Cl)=C(C#N)C1(C#N)C#N 22172438 AEHVBLTUSLKGGB-NSHDSACASA-N 278.743 2.376 50 40 CEGB O=C(CCl)N(C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 79393750 OXHUJDMQKSWMFQ-OAHLLOKOSA-N 292.810 2.491 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4 85340778 BLUAFEHZUWYNDE-ABZHMVRTSA-N 282.336 2.395 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cn1 30802868 QWLMEKPWKWMIMJ-PXNMLYILSA-N 284.275 2.062 50 40 CEGB CC(=O)Cn1c(CCl)nc2sc(C)c(C)c2c1=O 2657859 IBIVACMTMIZQKK-UHFFFAOYSA-N 284.768 2.403 50 40 CEGB COC(=O)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 2631916 SKTUWMGJRLMPDJ-GXDHUFHOSA-N 284.315 2.003 50 40 CEGB NNC(=O)c1cc(-c2ccccc2O)nc2ccccc12 5776928 QXRKMHDXSFXRPW-UHFFFAOYSA-N 279.299 2.211 50 40 CEGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccnc1 245850 DKNUUHCCTNKKIO-RQZCQDPDSA-N 289.722 2.264 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2ccco2)cc1 368608 IDEPUWXGWIHNRH-LFIBNONCSA-N 272.304 2.371 50 40 CEGB CCCOc1ccc(/C=N/NC(C)=O)cc1OCC 7946881 CSVMQJNTVYEKQR-XNTDXEJSSA-N 264.325 2.344 50 40 CEGB CCN(CC)[C@@H](CNC(=O)CCl)c1ccco1 3423908 SOJCMNNYLHYGAS-JTQLQIEISA-N 258.749 2.018 50 40 CEGB O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1ccco1 14238533 UBOXSURBYOETTH-UHFFFAOYSA-N 298.342 2.162 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1cc(C)ccc1O 4672049 YQALFQHSTQJFJJ-GZTJUZNOSA-N 269.304 2.250 50 40 CEGB N#C/C(=C/c1ccncc1)C(=O)Nc1ccc(C(=O)O)cc1 5932229 DAPOYJIFWKNPKP-LCYFTJDESA-N 293.282 2.325 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 45952450 PCEFFCBANOQFFE-ZETCQYMHSA-N 258.104 2.458 50 40 CEGB COc1ccc(C(=O)NN)cc1OCc1ccc(F)cc1 226318917 XWKVGQWGYSXNKC-UHFFFAOYSA-N 290.294 2.017 50 40 CEGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 16437864 CWEYJXAXDSHDEH-FMIVXFBMSA-N 271.276 2.124 50 40 CEGB O=C(CCBr)Nc1ccc([N+](=O)[O-])cc1 4974495 MNQQOOVWYHWVRG-UHFFFAOYSA-N 273.086 2.318 50 40 CEGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)NC1CC1 5729081 GXYSDEGUJCJJFV-XYOKQWHBSA-N 278.315 2.262 50 40 CEGB O=C1[C@@H](Br)CCN1c1cccc([N+](=O)[O-])c1 39002711 OBBVAEDSNFSZGW-VIFPVBQESA-N 285.097 2.095 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1 33346651 USTYQEQVLIOWKB-VIZOYTHASA-N 274.349 2.106 50 40 CEGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccccn1 33745457 JUPBOTGHWZDKSM-WQRHYEAKSA-N 265.316 2.334 50 40 CEGB O=C(Cl)c1cc(I)ccn1 223322982 HYDRFYPMNAKPRC-UHFFFAOYSA-N 267.453 2.065 50 40 CEGB C/C(=N\NC(=O)c1cccs1)c1cc(O)ccc1O 21021279 USBHEKURUMFAEZ-RIYZIHGNSA-N 276.317 2.313 50 40 CEGB NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 375607 BDZPNMZNYLJNKG-UHFFFAOYSA-N 282.343 2.358 50 40 CEGB CC(C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl 5293728 LLXNWBVOOGIUNL-UHFFFAOYSA-N 275.135 2.410 50 40 CEGB Cc1cccc(/C=N/NC(=O)c2ccccc2)c1O 4784673 VZIGLBQKPNNLLF-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB O=S1(=O)C[C@@H](Cl)[C@H](Sc2ccccc2)C1 5665880 OUQPIAKLCXWCJT-NXEZZACHSA-N 262.783 2.183 50 40 CEGB in-vitro O=C(NNC(=O)[C@@H]1CC=CCC1)c1cccc(Cl)c1 8851620 MXPXHFOUAPUMNM-SNVBAGLBSA-N 278.739 2.457 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 45952444 UJFLYURNKCIYJL-ZETCQYMHSA-N 258.104 2.458 50 40 CEGB CCCCCC(=C/c1ccccc1)/C=N/NC(=O)C(N)=O 97991400 AEAVEFSISKIPDO-OIKHISIKSA-N 287.363 2.238 50 40 CEGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(N)=O 3236354 RMECVTDBUJVFSI-YFHOEESVSA-N 256.236 2.478 50 40 CEGB CCO[Si](OCC)(OCC)OCC(F)(F)F 169806571 CJYSMDXDJILIEL-UHFFFAOYSA-N 262.300 2.110 50 40 CEGB O=C(CCl)NC(=O)Nc1ccc(Br)cc1 4206242 DGMWFJYEDNCJDN-UHFFFAOYSA-N 291.532 2.336 50 40 CEGB in-vitro CCOC(=O)NNC(=O)CCc1ccc(Cl)cc1 36625255 CFKVOUAAGMINAZ-UHFFFAOYSA-N 270.716 2.050 50 40 CEGB CCCCCCNC(=O)CI 1576983 KCOIABQSBIFAEM-UHFFFAOYSA-N 269.126 2.118 50 40 CEGB C[C@H]1CCN[P@@](=O)(N(CCCl)CCCl)O1 1678091 FKEBIELXSBGYPQ-AYVTZFPOSA-N 275.116 2.273 50 40 CEGB COC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 2666595 PYWSEEVRSGAIKG-BPTDKIDVSA-N 289.169 2.318 50 40 CEGB O=C(CCl)NCCSCc1ccccc1F 4206200 SHJGMCHQCCLCSN-UHFFFAOYSA-N 261.749 2.414 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2cccc(N)c2)cc1 45780 STGVSNONVXQMHB-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB N#CCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 17023064 GGZWKNIMUFJINN-RZNTYIFUSA-N 272.091 2.063 50 40 CEGB Cc1cc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(C)o1 100560933 DTBNCXOXPJGWNV-VKAVYKQESA-N 297.314 2.007 50 40 CEGB CCC(CC)=NNC(=O)[C@@H]1COc2ccccc2O1 5164196 BUAOBPYUERPOCG-ZDUSSCGKSA-N 262.309 2.119 50 40 CEGB CC(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 6317911 XCPPIONSJUGENA-UHFFFAOYSA-N 278.164 2.331 50 40 CEGB C[C@@H](CI)NC(=O)OC(C)(C)C 95643260 CUKVINMIOAQKNB-LURJTMIESA-N 285.125 2.335 50 40 CEGB N#C/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)cc1 16940191 RFVUSEWTTDIMHE-QGOAFFKASA-N 284.706 2.393 50 40 CEGB Cc1cccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c1 18206334 ZQBZGKLCLKJVDG-SDXDJHTJSA-N 293.326 2.106 50 40 CEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](C#N)[C@@H]1c1ccccc1Cl 66087965 SBBXHGXDYWUQFJ-CORIIIEPSA-N 293.717 2.347 50 40 CEGB C=C(C)C(=O)OC[C@@H](Br)CBr 86052006 SOFCUHQPMOGPQX-LURJTMIESA-N 285.963 2.264 50 40 CEGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)o2)cc1 491477 ONYYTUHXLBXYDM-MDZDMXLPSA-N 284.315 2.371 50 40 CEGB NC(=O)N/N=C(/CCc1ccccc1)C1(O)CCCCC1 503598 IQBRNVBKIOXFHY-JXAWBTAJSA-N 289.379 2.339 50 40 CEGB O=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1 1754203 OSEOOXCLAYRSPE-CXUHLZMHSA-N 259.696 2.499 50 40 CEGB N#Cc1cccc(C(=O)NNC(=O)c2ccccc2Cl)c1 6402532 UPXHNFOMCWCASR-UHFFFAOYSA-N 299.717 2.286 50 40 CEGB O=C(O)c1ccccc1/C=N/NC(=O)C1CCCCC1 7158099 DVCVXMITOWOEMQ-MHWRWJLKSA-N 274.320 2.415 50 40 CEGB CC(C)(C)CC(=O)NNC(=O)c1ccc(F)cc1 7609337 SJPZSYGMKMUGRO-UHFFFAOYSA-N 252.289 2.023 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccccc2)c(OC)c1 33779403 BXKUNMJITXKOSR-GZTJUZNOSA-N 284.315 2.468 50 40 CEGB CN(C)[C@@H]1CCCC[C@H]1N(C(=O)CCl)C1CC1 79406772 RNUXERCARNWTTA-VXGBXAGGSA-N 258.793 2.089 50 40 CEGB O=C(CCCC[C@@H]1CCSS1)NCCCO 79192882 QPQPASXMSHOHIW-SNVBAGLBSA-N 263.428 2.199 50 40 CEGB biogenic CCO[Si](OCC)(OCC)c1cc(F)c(F)c(F)c1 221561085 YHIKYQNPDBOUMZ-UHFFFAOYSA-N 294.345 2.359 50 40 CEGB COc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1 296329 BAPRATMNRWPERG-UHFFFAOYSA-N 284.315 2.078 50 40 CEGB CNc1ccccc1C(=O)N/N=C\c1ccc(O)c(OC)c1 104166345 OBXOTNWRKBKLQT-ZDLGFXPLSA-N 299.330 2.206 50 40 CEGB Cc1cccc(N2CC[C@@H](Br)C2=O)c1 49454679 ZDGWUMCZYDAGHV-SNVBAGLBSA-N 254.127 2.495 50 40 CEGB CCOC(=O)/C(C#N)=C(\Br)SC 5672472 ADURPUWCUGYILI-AATRIKPKSA-N 250.117 2.043 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)Cc2ccccc2)C1 18117047 ZUUPXFJLIDVGEF-UHFFFAOYSA-N 272.348 2.123 50 40 CEGB C[C@@H](Oc1ccccc1)C(=O)NNC(=O)OC(C)(C)C 6442582 MJDRBLGJAUHSNZ-SNVBAGLBSA-N 280.324 2.010 50 40 CEGB O=C(/C=C/c1ccccc1)NNC(=O)Cc1ccccc1 583986 MYXKPITWNQISLZ-VAWYXSNFSA-N 280.327 2.090 50 40 CEGB O=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 12020550 IIFUPYSKZKAHIK-UHFFFAOYSA-N 290.706 2.120 50 40 CEGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccnc2)c1C 408789160 KBIAGOUGRCVYMI-ZSOIEALJSA-N 280.331 2.142 50 40 CEGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OC(C)=O 408543543 PUJQYWQCWFOBFU-IZZDOVSWSA-N 290.344 2.204 50 40 CEGB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2CC(=O)NN 223828863 PPRUTQCGYBUHIS-LLVKDONJSA-N 291.395 2.167 50 40 CEGB CCOC(=O)/C=C1\CCCCCN1C(=O)[C@H](C)Cl 96528476 HUKKFXONLUIYHD-SPQRFVMMSA-N 273.760 2.463 50 40 CEGB OC[C@@](F)(CBr)COCc1ccccc1 118339084 MVYZNCSZNYXJJL-NSHDSACASA-N 277.133 2.299 50 40 CEGB NNC(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1 12336469 PMKGRXVEIAIQCO-UHFFFAOYSA-N 284.315 2.118 50 40 CEGB Cc1ccc(NCC(=O)NNC(=O)c2ccccc2C)cc1 12634158 GZXDJFLOARVEHT-UHFFFAOYSA-N 297.358 2.177 50 40 CEGB CCOC(=O)/C(C#N)=C\c1cc2cc(C)ccc2[nH]c1=O 4778890 CKEJSXDVUPLRRG-JYRVWZFOSA-N 282.299 2.307 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccs1 481677 CLYJJERIWDSDSS-IZZDOVSWSA-N 281.318 2.482 50 40 CEGB Cc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 409381438 GAXWZEWYOASZJD-WOJGMQOQSA-N 273.380 2.367 50 40 CEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1F 96298212 VWVDFFWYODKEDA-CZAWJFPGSA-N 288.322 2.336 50 40 CEGB CCn1cccc1/C=N/NC(=O)c1ccc(OC)cc1 408931453 LUAFDNZPNHKRSP-LFIBNONCSA-N 271.320 2.281 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc(C#N)cc1 59140 DDCCEZFDVDAXNO-WOJGMQOQSA-N 279.299 2.331 50 40 CEGB O=C(NCCBr)N[C@H]1C[C@@H]1c1ccccc1 1614852 HUJMTDIXWDYIIU-MNOVXSKESA-N 283.169 2.237 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1ccccc1OCC(=O)O 547498 CILOXINBCAGLBC-OVCLIPMQSA-N 294.307 2.009 50 40 CEGB COc1ccc2c(c1)CC[C@H]1C2=CC[C@H]2C(=O)OC(=O)[C@@H]21 101012742 FYCGVOHPPYSXFO-RRFJBIMHSA-N 284.311 2.361 50 40 CEGB CN(C)C(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1 59104879 ULDDBKSKVSKLJM-SDNWHVSQSA-N 269.348 2.282 50 40 CEGB O=C(N/N=C/c1cccc2nccnc12)c1ccccc1O 5563213 WXGUAYSHGZVODU-VXLYETTFSA-N 292.298 2.099 50 40 CEGB Cc1cccc2c1N([C@@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 223195529 ILIOQWJSPABTIS-RYUDHWBXSA-N 275.396 2.466 50 40 CEGB O=C(CNc1ccccc1)N/N=C/c1ccc(F)cc1 58849 HNDDUVXORHCDEZ-VCHYOVAHSA-N 271.295 2.388 50 40 CEGB CC1(CC(=O)N/N=C/c2ccco2)SCCS1 6348175 YIJDGRMTWBEOCF-XYOKQWHBSA-N 270.379 2.316 50 40 CEGB CC/C(C)=N/NC(=O)CCCCC(=O)N/N=C(\C)CC 33959722 ZNOZNJLCGJQBMZ-JOBJLJCHSA-N 282.388 2.351 50 40 CEGB CN(C)C[C@@H]1CCCC[C@H]1OC(=O)C(Cl)Cl 3185357 YGKRJMHSTPSNRS-DTWKUNHWSA-N 268.184 2.454 50 40 CEGB CCOc1ccc(NC(=O)C(=O)NN=C(CC)CC)cc1 59515785 KSTFNRXNFJCFSP-UHFFFAOYSA-N 291.351 2.316 50 40 CEGB CC/C(=N\NC(=O)c1cccnc1)c1cc(F)ccc1O 58160816 GPIXXFRRHBFBQR-QGOAFFKASA-N 287.294 2.470 50 40 CEGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1 12750939 WGKOPLVLVMYYPB-GFCCVEGCSA-N 288.347 2.203 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)cc1 5288792 HOPAIAZNOFJPHO-IQFISFIMSA-N 298.342 2.269 50 40 CEGB O=C(NNC(=O)C1CC1)c1ccc(-c2ccccc2F)o1 9884858 KUPBKVBRRXXYKB-UHFFFAOYSA-N 288.278 2.257 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C#N)o1 409006613 JRSLYQGRZNADTK-XYOKQWHBSA-N 277.283 2.471 50 40 CEGB CC(C)(C)OC(=O)N1C[C@@H]2C(Br)[C@H]2C1 704724765 DJOQQTFAEPYOSQ-BQBZGAKWSA-N 262.147 2.247 50 40 CEGB ClCCOC[C@H]1CO[C@H](C(Cl)(Cl)Cl)O1 5725693 BZHPXLBJYOPNPE-WDSKDSINSA-N 283.966 2.354 50 40 CEGB N/C(=N\OC(=O)Cl)C(F)(F)C(F)(F)C(F)(F)F 5409990 PJKHAAWYBKRSMY-UHFFFAOYSA-N 290.522 2.467 50 40 CEGB C/C(=N\NC(=O)CNc1ccccc1)c1scnc1C 41699730 BMJFZQOLVITUDP-GZTJUZNOSA-N 288.376 2.404 50 40 CEGB O=C(N/N=C/c1ccc(O)c(O)c1)c1c[nH]c2ccccc12 2737339 XSFHMDDAWLIIAM-QGMBQPNBSA-N 295.298 2.343 50 40 CEGB C/C(=N/NC(=O)c1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 18194449 FAHQRLLSRUIVIC-YVLHZVERSA-N 298.302 2.331 50 40 CEGB Cc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216950061 ZGLSFZSFONUOHN-UHFFFAOYSA-N 293.326 2.242 50 40 CEGB C[C@@H](Br)C(=O)Nc1ccnn1C(C)(C)C 225814111 LHEFCUMDZGHQPB-SSDOTTSWSA-N 274.162 2.360 50 40 CEGB C/C(=N/NC(=O)c1cnccn1)c1ccccc1Cl 528792 APVNQBKLKJNILM-MFOYZWKCSA-N 274.711 2.284 50 40 CEGB C/C=N/NC(=O)COc1ccc(Cl)cc1Cl 6317258 ZMMWXUKKZJDHNT-XNJYKOPJSA-N 261.108 2.494 50 40 CEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1 5249904 HFFVBZLLEWKCNM-LICLKQGHSA-N 298.302 2.331 50 40 CEGB Cc1ccn2c(C(=O)N/N=C/c3ccccn3)c(C)nc2c1 59516183 NXWLTKLGDVTMPE-VCHYOVAHSA-N 293.330 2.110 50 40 CEGB C/C(=N\NC(=O)c1cccc(F)c1)c1cc(O)ccc1O 59384094 TYINOMMKMAXDLY-RQZCQDPDSA-N 288.278 2.391 50 40 CEGB C[C@@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CC(=O)O 103612204 CQENDPLRWOGOPD-NGELQDPLSA-N 275.142 2.230 50 40 CEGB Cc1c(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)oc2ccccc12 17448631 LJWZUUYEWWBTSH-GZMMTYOYSA-N 272.304 2.158 50 40 CEGB CC(C)(C)C(=O)NNC(=O)c1ccc(Br)cc1 5938188 QBXSJBAGFGCBHS-UHFFFAOYSA-N 299.168 2.256 50 40 CEGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccn2)c1C 409246597 JIQOWFXMDDBVBS-ZROIWOOFSA-N 280.331 2.142 50 40 CEGB C/C(=N\NC(=O)c1ccccc1N)c1ccccc1 34459012 BNAJERNEMBCPMD-GZTJUZNOSA-N 253.305 2.423 50 40 CEGB O=[N+]([O-])c1cccc(C2=NO[C@@H](CBr)C2)c1 217842751 AQBNPYRUPROANG-SECBINFHSA-N 285.097 2.483 50 40 CEGB N#CC(NC(=O)c1ccccc1[N+](=O)[O-])=C(Cl)Cl 35672550 BWGBRWTUSNXEQM-UHFFFAOYSA-N 286.074 2.495 50 40 CEGB CC(C)CCn1c(CCl)cnc1S(C)(=O)=O 47219292 FDKSBFIVJNHEIO-UHFFFAOYSA-N 264.778 2.072 50 40 CEGB C[C@@H](Br)[C@H](Br)C[N+](C)(C)C 313503 MKNMPEQOVKGLMP-RNFRBKRXSA-N 274.020 2.240 50 40 CEGB CCCCCCCNC(=S)NNC(=O)c1ccncc1 1735957 DWJJCOCUNZIETE-UHFFFAOYSA-N 294.424 2.161 50 40 CEGB CCn1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(C)n1 372588 NMZWKMMFPQEHBT-QGMBQPNBSA-N 295.346 2.457 50 40 CEGB COc1ccc(/C(O)=C\C=N\NC(=O)c2cccnc2)cc1 100921215 XZVYZFKSCGWRCZ-SBFBOTDBSA-N 297.314 2.405 50 40 CEGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(N)sc32)cc1 27825393 ALYJHSJCBDTLDX-SNVBAGLBSA-N 284.344 2.252 50 40 CEGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3ccco3)cc2c1C 6719895 PDQXZDLSVNVICC-UHFFFAOYSA-N 297.314 2.453 50 40 CEGB CCCNC(=S)NNC(=O)c1csc2ccccc12 6934702 RBEHJIMSDNJXGZ-UHFFFAOYSA-N 293.417 2.420 50 40 CEGB Cc1cc(C)cc(N2C[C@@H](C(=O)Cl)CC2=O)c1 45952272 JVKSTRGFKAEUHZ-JTQLQIEISA-N 251.713 2.422 50 40 CEGB C[C@H](Oc1ccccc1)C(=O)NNC(=O)OC(C)(C)C 1642798 MJDRBLGJAUHSNZ-JTQLQIEISA-N 280.324 2.010 50 40 CEGB CC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 244426 WEFCSRFHJOPLSJ-UHFFFAOYSA-N 254.289 2.135 50 40 CEGB O=C(N/N=C1\CCCc2oc(C(=O)O)cc21)c1ccccc1 274100 ZVIDIORZAXPNMW-SFQUDFHCSA-N 298.298 2.448 50 40 CEGB Cc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1 108091534 NNWCVILEQOIELV-DHDCSXOGSA-N 287.275 2.189 50 40 CEGB N#C/C(=C/c1cccnc1)c1nc2ccccc2c(=O)[nH]1 4813246 QPMPPBBWDPVSFG-WQLSENKSSA-N 274.283 2.382 50 40 CEGB COc1ccc2c(c1)N([C@@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 223195893 LDDXTLLGUHINJL-QWRGUYRKSA-N 291.395 2.166 50 40 CEGB C[S@](=O)(=S)OCc1ccc(CCl)cc1 98088258 HCIWHTYSDAYILX-CQSZACIVSA-N 250.772 2.233 50 40 CEGB C[C@H]1CN1[P@@](=O)(N1[C@@H](C)CC[C@@H]1C)N1C[C@H]1C 263632865 CQRYKXDHRSDBKV-ICOLDYAJSA-N 257.318 2.376 50 40 CEGB O=C1CC[C@](CCCCl)(c2ccccc2)C(=O)N1 5604419 BXPLUIIRFOKTAJ-CQSZACIVSA-N 265.740 2.380 50 40 CEGB O=C(CCBr)OCCOc1ccccc1 1621132 ALDFJENEPSSRJS-UHFFFAOYSA-N 273.126 2.394 50 40 CEGB CC(C)CCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1 6855560 LQOFJPPWWJADTH-UHFFFAOYSA-N 288.351 2.105 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(O)cc1 408757044 ZIUIZPLDOWHGLD-LICLKQGHSA-N 284.315 2.473 50 40 CEGB COc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1 242752 KPCXPWPGIYMPMN-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB biogenic Cc1ccn2c(=O)c(CCBr)c(C)nc2c1 1723220 CTSFJHXUCIPURL-UHFFFAOYSA-N 281.153 2.249 50 40 CEGB Cc1cc2c(c(=O)o1)[C@H]([C@@]13C=C[C@@H](CC1)C3)C(C#N)=C(N)O2 494512 IJMCKQRFZFKYNM-IXBGWNDUSA-N 296.326 2.474 50 40 CEGB C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 103739349 BLUAFEHZUWYNDE-NDZRQPROSA-N 282.336 2.395 50 40 CEGB biogenic Cc1cc(C)nc(NNC(=O)Nc2ccccc2)n1 16500181 QPYAEHJGFSSVPS-UHFFFAOYSA-N 257.297 2.242 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(C)cc1 96518944 LGTGUJPDWDJISU-MNOVXSKESA-N 262.758 2.028 50 40 CEGB COc1ccc(OC)c(NC(=O)CBr)c1 5744071 KTLGJALTFRVTMU-UHFFFAOYSA-N 274.114 2.037 50 40 CEGB C/C(=N\NC(=O)c1nc2ccccn2c1C)c1ccco1 4863942 IOTHTQSSFXYIPV-LICLKQGHSA-N 282.303 2.390 50 40 CEGB COc1cc(CCNCCCl)cc(OC)c1OC 1668044 OMAIONYQWKOIEJ-UHFFFAOYSA-N 273.760 2.083 50 40 CEGB CC(=O)/C(C#N)=C1/NC(=O)[C@@H](Cc2ccccc2C)S1 13635868 PSOITZFJSOZALM-DKXRRRNBSA-N 286.356 2.093 50 40 CEGB N#C/C(=C/c1ccccn1)C(=O)Nc1ccc2c(c1)OCO2 6644563 TZFKTRVWYDLKFS-XFFZJAGNSA-N 293.282 2.356 50 40 CEGB CCOC(=O)c1ccc(C(=O)CBr)cc1 44136289 XMIVTAOFQJBIGO-UHFFFAOYSA-N 271.110 2.441 50 40 CEGB in-vitro Nc1ncc(Br)cc1CBr 76914377 ZROJJAPXIGBDIZ-UHFFFAOYSA-N 265.936 2.321 50 40 CEGB Cc1ccc(CC(=O)NNc2nc(C)cc(C)n2)cc1 11334357 LSNNRWQVXSQWMZ-UHFFFAOYSA-N 270.336 2.088 50 40 CEGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(O)cc1 4601928 MGJCFKVWILZLIU-SFQUDFHCSA-N 268.316 2.475 50 40 CEGB CCOC(=O)N/N=C/c1c(Cl)nc2sccn12 7948454 MYZYHCPWVKFHDT-VZUCSPMQSA-N 272.717 2.129 50 40 CEGB C[C@H](Br)C(=O)N1CCO[C@H](c2ccccc2)C1 95097960 BSQCEKBRCBYAKX-JQWIXIFHSA-N 298.180 2.370 50 40 CEGB CSC(=C(C#N)C#N)N1CCN(c2ccccc2)CC1 1986900 IHZUMPANQRVQFB-UHFFFAOYSA-N 284.388 2.430 50 40 CEGB COc1ccc(OCC(=O)NNc2ccc(F)cc2)cc1 45971854 BRJRWOPNYPHVGS-UHFFFAOYSA-N 290.294 2.356 50 40 CEGB CCC(CC)=NNC(=O)[C@H]1COc2ccccc2O1 5164198 BUAOBPYUERPOCG-CYBMUJFWSA-N 262.309 2.119 50 40 CEGB CC(C)N(C(=O)CCl)[C@H]1CCCC[C@H]1N(C)C 79406687 NIYYNJKVKKICPV-NEPJUHHUSA-N 260.809 2.335 50 40 CEGB N#C/C(=C\c1ccc(CSC(F)F)o1)C(N)=O 7154683 ZAKVSGWPFMBMML-ZZXKWVIFSA-N 258.249 2.128 50 40 CEGB COc1cc(C)c(CN(C)C(=O)CCl)cc1OC 8183810 OLUZWIPSNLGZPR-UHFFFAOYSA-N 271.744 2.209 50 40 CEGB COc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 34828828 BFYVCHHZNHGGCC-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB CN(C)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 12731704 AWKJHWOIRNLWKK-UHFFFAOYSA-N 289.379 2.094 50 40 CEGB NNC(=O)CC[C@]1(c2ccccc2)CCCC/C1=N/O 16943232 XTPCRRRGXRLDAN-LUJRCDHRSA-N 275.352 2.099 50 40 CEGB CCCCC(=O)NNC(=O)COc1c(C)cccc1C 18070012 ZLHASBSRJMUPGM-UHFFFAOYSA-N 278.352 2.020 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C[C@H]2CC[C@H]1C2 110457058 LMDYJALQGMNNBR-DDGKQPTKSA-N 287.319 2.430 50 40 CEGB N#Cc1ccsc1N1CC[C@H](Br)C1=O 7736421 WIHIWFOGDKWMBK-ZETCQYMHSA-N 271.139 2.120 50 40 CEGB CCCC/C(C)=N\NC(=O)CC(=O)NCc1ccccc1 59444849 FFKRZBJBQIWZRF-AQTBWJFISA-N 289.379 2.375 50 40 CEGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(O)cc1O 5381943 AVILTHUBVNNBDQ-RQZCQDPDSA-N 288.278 2.391 50 40 CEGB O=C(N/N=C/c1cnn(-c2ccccc2)c1)c1cccnc1 4525008 MITNQKWGHDCYDH-GIJQJNRQSA-N 291.314 2.031 50 40 CEGB CSc1ncc(Br)c(C(=O)Cl)n1 34205143 FGOSWVRSJHWYMH-UHFFFAOYSA-N 267.535 2.340 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc(C#N)cc2)o1 96569036 UWTFGNSEIKUVTH-SXGWCWSVSA-N 253.261 2.224 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1cccc(F)c1 96517810 ZDTZEIPEKAMEEB-SNVBAGLBSA-N 264.705 2.008 50 40 CEGB CC(C)CC(=O)NNC(=S)Nc1ccccc1 5522204 AGJJQOIPAXVVPK-UHFFFAOYSA-N 251.355 2.050 50 40 CEGB Cc1n[nH]c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 4786129 CNFUFPBSUICSDC-AWEZNQCLSA-N 291.314 2.418 50 40 CEGB COc1ccc(C2CC(=O)C(Br)C(=O)C2)cc1 115404235 WGJLJJOUTWDWPO-UHFFFAOYSA-N 297.148 2.474 50 40 CEGB CC(=O)[C@@H]1SC(N)=C(C#N)[C@H]1c1cccs1 20458726 JATXWNZRCUVGRT-UWVGGRQHSA-N 250.348 2.230 50 40 CEGB COc1ccnc(NNC(=O)c2ccc(Cl)cc2F)n1 40510816 IAISUFGOLKKDLF-UHFFFAOYSA-N 296.689 2.035 50 40 CEGB CC(C)C(=O)OC[C@H](Br)CBr 2045586 XFXFJLKPISDTFV-ZCFIWIBFSA-N 287.979 2.344 50 40 CEGB C[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccc2ccccc12 12060874 PQKIXDOZWVHQKI-NHYWBVRUSA-N 282.343 2.186 50 40 CEGB CC(C)CSc1nnc(NC(=O)CCl)s1 9295657 ZUTQJKVRCXNASH-UHFFFAOYSA-N 265.791 2.464 50 40 CEGB C[N+](C)(C)CCCCCCCSS(C)(=O)=O 22067352 ASOLSNBWKKCMRQ-UHFFFAOYSA-N 268.468 2.336 50 40 CEGB in-vitro NNC(=O)c1ccc(OCc2nc3ccccc3s2)cc1 78401052 LDTPIPIPAMWIEF-UHFFFAOYSA-N 299.355 2.479 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)c2ccc(N)cc2)cc1 31723659 NOCGHJRYUCYMHR-WQRHYEAKSA-N 282.347 2.099 50 40 CEGB CC1(C)CC(=O)[C@@H]2C(CCBr)=NN[C@H]2C1 228924228 KAMLPGGPUQBRKW-WCBMZHEXSA-N 273.174 2.105 50 40 CEGB O=C(Cl)c1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1 100680153 FVQKMRYCUUFADY-MRVPVSSYSA-N 286.114 2.184 50 40 CEGB O=C1O[C@H](CBr)CN1c1ccccc1 52508155 HCZAPBYNLIYPIY-SECBINFHSA-N 256.099 2.407 50 40 CEGB CCCCNC(=S)NNC(=O)c1csc(CC)c1 8685725 SGDVKYIUXRGZPE-UHFFFAOYSA-N 285.438 2.220 50 40 CEGB CCO[Si](C)(OCC)O[Si](C)(OCC)OCC 195767043 OPHLEQJKSDAYRR-UHFFFAOYSA-N 282.485 2.286 50 40 CEGB CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 175416 HCDNLDFMSXUFKH-SFQUDFHCSA-N 289.379 2.021 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2ccccc2OC)cc1 585337 XJEBPXIXYMXGAO-LDADJPATSA-N 298.342 2.397 50 40 CEGB O=C(CCl)N(Cc1cccs1)C[C@H]1CCCO1 32120798 SCYFJRORPHZXBT-SNVBAGLBSA-N 273.785 2.495 50 40 CEGB COc1ccccc1C(=O)N/N=C\c1ccc(O)cc1 104165198 KUVOLMQQYHFNFW-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB CCc1ccc(C(=O)NNC(=O)NCc2ccccc2)cc1 25058234 RLPYYDLZEIJXLW-UHFFFAOYSA-N 297.358 2.393 50 40 CEGB Cc1ccc(CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 408734546 ZXQUIKDZFNSKKE-UHFFFAOYSA-N 286.375 2.431 50 40 CEGB C[C@@H](Cc1cn(C)c2ccccc12)NC(=O)CCl 16850967 SSRTVPDKMXDXGO-JTQLQIEISA-N 264.756 2.464 50 40 CEGB O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1c[nH]c2ccccc12 104127962 IFCSNSMZSBBZHY-GVXVVHGQSA-N 297.358 2.365 50 40 CEGB CS(=O)(=O)c1ccc(F)cc1CBr 118335092 CCXZJKASPFJWKT-UHFFFAOYSA-N 267.119 2.124 50 40 CEGB NC(=O)N/N=C/c1cc(CN2CCCCCC2)cs1 4745443 ICZPGPMBCFMYCL-OVCLIPMQSA-N 280.397 2.126 50 40 CEGB CCCCSCC(=O)NNc1nc(C)cc(C)n1 24743608 BWJQOEFOZLKAES-UHFFFAOYSA-N 268.386 2.070 50 40 CEGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)OC2=O 100260622 HBUHISLAFDATEA-HOTGVXAUSA-N 288.347 2.252 50 40 CEGB CCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 64219935 PSBCTNJHBJBZJM-JQWIXIFHSA-O 278.800 2.498 50 40 CEGB CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9109549 JRCMYKQFTZWLKD-JTQLQIEISA-N 289.316 2.296 50 40 CEGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(F)cc1 33297451 VXCTYLBFNPFNDQ-IUXPMGMMSA-N 286.262 2.318 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1[C@H]1C[C@H]2C=C[C@H]1C21CC1 254843185 DSBLULULHWSSMR-VDDIYKPWSA-N 296.399 2.339 50 40 CEGB O=C(CCl)c1ccc([C@H]2CCS(=O)(=O)C2)cc1 256049178 YPTWXZKMFHLQAN-NSHDSACASA-N 272.753 2.010 50 40 CEGB COc1ccc2c(c1)C(C)=CC(C)(C)N2[C@H](C)C(=O)NN 260725274 UDXFQZIVFWUIKV-LLVKDONJSA-N 289.379 2.076 50 40 CEGB COc1cc(/C=C/C(=O)Cl)ccc1OC(C)=O 33435506 XGIHZUUVIHMRFM-GQCTYLIASA-N 254.669 2.399 50 40 CEGB in-vitro O=C(CN1CCCCC1)N/N=C/c1ccc(Cl)cc1 175304 JVNQFFVDJKGMRY-MHWRWJLKSA-N 279.771 2.276 50 40 CEGB O=C(N/N=C/c1ccco1)Nc1cccc2nsnc12 3213328 SUNZTWDYGMXOGP-NTUHNPAUSA-N 287.304 2.440 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(=O)[nH]c1 32999885 GJFHGNWFBMITFU-UHFFFAOYSA-N 297.236 2.151 50 40 CEGB C[C@H](Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 35222637 MBSXVKJHRIBPIO-DTWKUNHWSA-N 269.728 2.262 50 40 CEGB in-vitro COc1cc(/C(C)=N\NC(=O)c2ccoc2C)ccc1O 13942706 CHHFBAQHWQSUHN-SXGWCWSVSA-N 288.303 2.456 50 40 CEGB N#C/C(=C/c1cccnc1)C(=O)NC1CCCCC1 6815803 ZUZPBHFYAVOTPL-LCYFTJDESA-N 255.321 2.437 50 40 CEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2F)c1 6998858 VZPZJRHXFXABGD-VCHYOVAHSA-N 299.305 2.223 50 40 CEGB O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1F 790508 YAEBITLSTVDXEA-KGLIPLIRSA-N 298.317 2.390 50 40 CEGB CCc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1 8733145 MDSNSEPHZOSINU-SNVBAGLBSA-N 282.771 2.321 50 40 CEGB CC1(C)OB([C@@H](N)CCCBr)OC1(C)C 196557445 AHDMSVITMRAKRS-QMMMGPOBSA-N 277.999 2.120 50 40 CEGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1 19849644 GPEKGSHCZAJBLI-WOJGMQOQSA-N 297.314 2.161 50 40 CEGB Cc1ccc(/C=N/NC(=O)CNc2ccccc2)o1 5337696 KRKIEXDZOGKLEB-CXUHLZMHSA-N 257.293 2.150 50 40 CEGB O=C(Cl)C1CCN(C(=O)c2ccccc2)CC1 11895391 LNHUJSZJKJAODQ-UHFFFAOYSA-N 251.713 2.304 50 40 CEGB C[C@H]1CN1P(=O)(Nc1ccccn1)N1C[C@@H]1C 104087711 RKAUOXVGNVHSRZ-KZNXCIGPSA-N 252.258 2.010 50 40 CEGB N#C/C(=C\c1ccncc1)C(=O)Nc1ccc(C(=O)O)cc1 5014732 DAPOYJIFWKNPKP-UKTHLTGXSA-N 293.282 2.325 50 40 CEGB CC(=O)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409012749 KJZYWIGKFVMTJS-ZSOIEALJSA-N 273.248 2.325 50 40 CEGB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)CCl 79392448 WTYTWVCBFXCNKC-SNVBAGLBSA-N 290.791 2.131 50 40 CEGB CC(=NNC(=O)COc1cc(C)ccc1C(C)C)C(=O)O 245204273 KJQJFOWJZVEOCI-UHFFFAOYSA-N 292.335 2.074 50 40 CEGB CC(=O)N[C@@H]1CCOc2ccc(C(=O)[C@H](C)Cl)cc21 41195229 BOUIKHWJPXBWGT-QPUJVOFHSA-N 281.739 2.456 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1O 359199 XYFYXXOFMLUOKS-GIJQJNRQSA-N 299.330 2.258 50 40 CEGB COc1ccccc1/C=N\NC(=O)c1ccc(C)nc1 12362754 YMRHHMRYQKYHIJ-YVLHZVERSA-N 269.304 2.163 50 40 CEGB Cc1occc1C(=O)NNC(=O)N[C@H](C)c1ccccc1 32795456 KFIINQWWFSSPQF-SNVBAGLBSA-N 287.319 2.293 50 40 CEGB CCOC(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 9885053 YJMDURSGXCCZDZ-LZYBPNLTSA-N 276.271 2.296 50 40 CEGB Cc1c(Cl)cccc1Nc1nc(CC(=O)NN)cs1 223450551 DZNYBPLSAGIWHA-UHFFFAOYSA-N 296.783 2.381 50 40 CEGB Cc1cc(NC(=O)/C(C#N)=C/c2c[nH]c3ncccc23)no1 44917741 GYNVMRNCAXNULQ-UXBLZVDNSA-N 293.286 2.405 50 40 CEGB CC[C@@H](CCl)OCCOCCOCCCl 5468029 HCMSDEVOAYKEPG-JTQLQIEISA-N 259.173 2.292 50 40 CEGB O=C(CNc1ccccc1)N/N=C/c1ccccc1F 58870 UHWUTRGDRDQCGR-VCHYOVAHSA-N 271.295 2.388 50 40 CEGB O=C(NNC(=S)Nc1ccccc1)[C@@H]1C=CCCC1 339220 HIWCRLQGWFNGBC-LLVKDONJSA-N 275.377 2.361 50 40 CEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc2ccccc12 7783535 LKUBJPUMLIEDFK-MBNTZHJCSA-N 297.358 2.205 50 40 CEGB CC(C)(C)c1ccc(OCC(=O)NN)c(Cl)c1 66056284 BNLVNHTUCFMAKI-UHFFFAOYSA-N 256.733 2.006 50 40 CEGB O=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccco1 4579329 BBIWZAAVCYWFOX-YVLHZVERSA-N 267.288 2.454 50 40 CEGB ICc1nc2ccccc2[nH]1 13285026 DPQFQWQXSCYVIH-UHFFFAOYSA-N 258.062 2.498 50 40 CEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccco1 2197815 TZAZQBPEONRNLR-CYBMUJFWSA-N 286.287 2.090 50 40 CEGB O=C(N/N=C/c1cc(Cl)ccc1O)c1cccnc1 347094 WZSCOZWXTCWXQN-LZYBPNLTSA-N 275.695 2.205 50 40 CEGB COCCOC(=O)/C(C#N)=C/c1ccc(F)cc1F 6453452 HWVOHMXWDUSERY-UXBLZVDNSA-N 267.231 2.061 50 40 CEGB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CCl 4206112 ANIVOWXGFRJWLI-UHFFFAOYSA-N 283.759 2.190 50 40 CEGB COC1(OC)CC(C)(CI)C1 575631003 COBLMJGDEOKFAI-UHFFFAOYSA-N 270.110 2.211 50 40 CEGB NC(=O)N/N=C/CC(=O)c1cc(Cl)ccc1Cl 16384797 QBQXZUBKWCQFHK-LNKIKWGQSA-N 274.107 2.220 50 40 CEGB CN(C)C(=O)Nc1cccc(OC(=O)NCCCl)c1 1756353 DOJJYZCGRWJBRY-UHFFFAOYSA-N 285.731 2.107 50 40 CEGB Cc1ccc(NC(=O)NCCCl)c([N+](=O)[O-])c1 4933351 IWYLPISDRXKSTG-UHFFFAOYSA-N 257.677 2.264 50 40 CEGB CC/C(C)=N\NC(=O)c1ccc(C(=O)N/N=C(/C)CC)o1 17022879 TUPSVMGPSPULCC-VULZFCBJSA-N 292.339 2.311 50 40 CEGB O=C(N/N=C\c1cccc2ccccc12)c1cnccn1 5203777 YWLOQJGDHZFBBO-GRSHGNNSSA-N 276.299 2.394 50 40 CEGB COc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1Cl 5322441 HOQVBPNHCGYHKD-VIZOYTHASA-N 292.726 2.144 50 40 CEGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccc([N+](=O)[O-])cc1 5672641 DZAOIJYWNASQHZ-DTOOMTAISA-N 271.276 2.277 50 40 CEGB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Cl)c1 20203548 CNPKMTPPWMKRRE-MRVPVSSYSA-N 255.701 2.429 50 40 CEGB Cc1cccc(C(=O)N/N=C\c2ccc(O)cc2O)c1 95935771 NSVBHAOOPMPVFK-SXGWCWSVSA-N 270.288 2.170 50 40 CEGB O=C(CCl)NCCOc1cccc(C(F)(F)F)c1 57214368 BAQQFVVYQKQWQF-UHFFFAOYSA-N 281.661 2.439 50 40 CEGB in-vitro N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NC1CCCC1 258436 KYCSEUBOAUKCIZ-KPKJPENVSA-N 284.315 2.381 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1 28173 WZKWGBDQOLKCAW-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 3116713 TZEAQSUAGVBKIH-LLVKDONJSA-N 281.787 2.004 50 40 CEGB N#C[C@@H](C(=O)N/N=C/c1cccc(O)c1)c1ccccc1 409202503 TWRLOKVJAHQTKB-CLXYIWAZSA-N 279.299 2.150 50 40 CEGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(O)cc2O)c1 409362380 JGBDPRASOPPBPI-ZDLGFXPLSA-N 298.342 2.407 50 40 CEGB CCC(=O)NNC(=S)Nc1ccc(C)c(Cl)c1 6396363 WFISFLZNOYIIKP-UHFFFAOYSA-N 271.773 2.376 50 40 CEGB O=C1[C@@H]2CC=C[C@H](Cl)[C@H]2C(=O)N1c1ccc(O)cc1 408668075 CJMHFTPYKJSMNK-WOPDTQHZSA-N 277.707 2.065 50 40 CEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc[nH]1 409379651 ZECIXFGTLSDWNW-WQLSENKSSA-N 254.293 2.110 50 40 CEGB O=C(Cl)c1ccc(-n2cnnc2)c(Br)c1 70461755 FVXXCLFIEQGNBW-UHFFFAOYSA-N 286.516 2.409 50 40 CEGB NNC(=O)c1ccc(-c2ccc(Br)cc2)o1 13893695 VXWQHYWLQUFWIZ-UHFFFAOYSA-N 281.109 2.313 50 40 CEGB N#C/C(=C\c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 5444730 UVAYRLVMOPGNGZ-XYOKQWHBSA-N 296.330 2.480 50 40 CEGB CCOC(=O)c1cc(C(=O)Cl)nn1CCC(F)(F)F 408717598 JSBHGMUVOAGZJE-UHFFFAOYSA-N 298.648 2.391 50 40 CEGB CCNC(=O)/C(C#N)=C/c1cn(C)c2ccccc12 408818127 NCQYKECFWZKXPS-DHZHZOJOSA-N 253.305 2.221 50 40 CEGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 584933 GKWYQAFRZCWULM-UHFFFAOYSA-N 298.342 2.143 50 40 CEGB CC1=NO[C@@H]2NC(=O)C(C#N)=C(c3ccc(Cl)cc3)[C@H]12 6591495 VICAGLBTYOFRIE-FZMZJTMJSA-N 287.706 2.095 50 40 CEGB Cc1ccc(S(=O)(=O)/C(C#N)=C2/CCCN2)c(F)c1 67340859 YFCACSUCCAXCTE-QBFSEMIESA-N 280.324 2.026 50 40 CEGB Cc1c(C#N)c(NC(=O)CCl)n(C[C@H]2CCCO2)c1C 4205563 RUMMPBZURAHDSD-LLVKDONJSA-N 295.770 2.333 50 40 CEGB CN(C)S(=O)(=O)c1ccc(Cl)c(CCl)c1 84155971 ZYULAJFONDFNFY-UHFFFAOYSA-N 268.165 2.329 50 40 CEGB CC(/C=C/c1ccco1)=N\NC(=O)C[n+]1ccccc1C 5548904 RRBJGXUWHKADNK-KSWQMODOSA-O 284.339 2.081 50 40 CEGB O=C(N/N=C/c1ccco1)c1cc(Cl)ccc1O 196767 ZFJHGNKISUNMGD-VGOFMYFVSA-N 264.668 2.403 50 40 CEGB COc1ccc(C[C@@H](Br)C(=O)O)c(OC)c1 107843383 QGOWSVDGIRKTNZ-SECBINFHSA-N 289.125 2.094 50 40 CEGB O=C1C[C@@H](C(=O)CBr)C2(CCCCC2)O1 4412783 RNNQRVGPSZTWPN-QMMMGPOBSA-N 275.142 2.216 50 40 CEGB CC1(C)CC(=O)[C@H]2C(CCBr)=NN[C@H]2C1 228924205 KAMLPGGPUQBRKW-WPRPVWTQSA-N 273.174 2.105 50 40 CEGB CC(C)(C)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1726940 PMCDCKNQBMQKKD-IZZDOVSWSA-N 255.299 2.153 50 40 CEGB CC(=O)NC(OCCCl)(C(F)(F)F)C(F)(F)F 3160358 ZSTYOBBZKOIOMZ-UHFFFAOYSA-N 287.587 2.199 50 40 CEGB CCN1C(=O)CCc2cc(C(=O)CCl)ccc21 11730023 WKFZXUZOPWZFOJ-UHFFFAOYSA-N 251.713 2.407 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1ccc(C#N)cc1 6528840 YQGUUOBWNHZRHG-WOJGMQOQSA-N 264.288 2.107 50 40 CEGB CN1C(=O)/C(=C(/C#N)c2ccccn2)c2ccccc21 5656509 LILIEOTUPAOJJM-QINSGFPZSA-N 261.284 2.492 50 40 CEGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(C)c2C)c1 408783928 QSMJHTHEGQLOMT-WQRHYEAKSA-N 299.374 2.343 50 40 CEGB CCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1567980 CAMIYNLQSCDDLI-YRNVUSSQSA-N 255.299 2.297 50 40 CEGB CCOC(=O)N(CCCC(=O)c1cccnc1)N=O 5856083 UFWSSCAAHBNZRO-UHFFFAOYSA-N 265.269 2.184 50 40 CEGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(N)=O 117218 IATDFYNGRLLOOX-CLFYSBASSA-N 283.243 2.247 50 40 CEGB Cc1ccc(S(=O)(=O)N(C)SCl)cc1 104189554 NAWQKWLDGDPPJR-UHFFFAOYSA-N 251.760 2.418 50 40 CEGB Br[C@H]1C[C@@H]2O[C@H]2C[C@H]1Br 100182958 UPEVUGACLNEWPQ-FSIIMWSLSA-N 255.937 2.075 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2cccc3ncccc23)n1 13012304 LVRSQEWOKLDHAE-UHFFFAOYSA-N 293.330 2.399 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccccc1N1CCCC1=O 38338676 XNVLKTXPCMGMJJ-SECBINFHSA-N 266.728 2.379 50 40 CEGB in-vitro COc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1 5384392 MDWJHAMLJUQWPM-UHFFFAOYSA-N 289.379 2.285 50 40 CEGB N#CC1=C2CCCCN2c2cc(F)ccc2S1(=O)=O 67172864 VERSXZZVYGQWDJ-UHFFFAOYSA-N 278.308 2.338 50 40 CEGB C[C@H](Br)CN1C(=O)c2ccccc2C1=O 32198861 OEDMJTQRHMQBHD-ZETCQYMHSA-N 268.110 2.066 50 40 CEGB Cc1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1 3572445 SFJMNPONUYIIQO-RQZCQDPDSA-N 270.336 2.405 50 40 CEGB Cc1ccc(C)c(OCc2ccc(C(=O)NN)o2)c1 135515 GXDIXIQKOUWJTP-UHFFFAOYSA-N 260.293 2.079 50 40 CEGB O=C(COc1ccc(F)cc1)NNc1ccc(F)cc1 45970768 LMTCBPHKNBQHOL-UHFFFAOYSA-N 278.258 2.487 50 40 CEGB CN1/C(=C/C=C(/C#N)C(N)=O)C(C)(C)c2ccccc21 53227568 JAWZRHSGHFIOEX-VRHZNZDDSA-N 267.332 2.233 50 40 CEGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1C 408781830 FIOMTLNZHWJIPD-WOJGMQOQSA-N 298.390 2.472 50 40 CEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccccc1Cl 252488652 IWEJRAVNYSFXIY-FRKPEAEDSA-N 294.717 2.285 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccc(C)o2)c1OC 6278905 VTRSVFMTPDTNBZ-CXUHLZMHSA-N 288.303 2.369 50 40 CEGB N#CC(C#N)=C(N)[C@H](C#N)Cc1ccc(Cl)cc1 6315564 QZKCTRLNRWTVIW-JTQLQIEISA-N 256.696 2.282 50 40 CEGB CC(C)(C)[Si](C)(C)OCc1cccc(B(O)O)c1F 1848351052 QEEXPCBLHMYVFM-UHFFFAOYSA-N 284.212 2.027 50 40 CEGB O=NN(CCCl)C(=O)N[C@H]1CCCC[C@@H]1Cl 4901025 AVQDABCAQFMRFT-YUMQZZPRSA-N 268.144 2.468 50 40 CEGB O=C(NNC(=O)c1ccccc1F)c1cccc(F)c1 12020150 HWAGCHYGCUVMIO-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB N#CC(C#N)=Cc1cn(CCC(=O)O)nc1-c1ccccc1 804860 HPEYNKUYNVFRRT-UHFFFAOYSA-N 292.298 2.455 50 40 CEGB CN(C)CCNC(=O)CCCC[C@H]1CCSS1 3981502 FUMFVZQFUSTSBW-NSHDSACASA-N 276.471 2.378 50 40 CEGB biogenic COc1ccc(CC(=O)NNC(=O)c2cccc(C)c2)cc1 4690041 UFVSQLVFWNNXTD-UHFFFAOYSA-N 298.342 2.007 50 40 CEGB CC1(C)OC(=O)C(=C2SSN=C2Cl)C(=O)O1 3844495 VNIACESUVYYIDB-UHFFFAOYSA-N 279.726 2.024 50 40 CEGB biogenic CC(C)Cn1cc(-c2nc(CCl)cc(=O)[nH]2)cn1 72226245 CNPRETUULPVMFP-UHFFFAOYSA-N 266.732 2.028 50 40 CEGB Cc1ccc(NC(=O)CI)cc1 5328415 PJBYBSFZSYNAER-UHFFFAOYSA-N 275.089 2.369 50 40 CEGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccco1 5338185 GBAWZWJVCZECAA-ZDUSSCGKSA-N 253.261 2.080 50 40 CEGB CCOC(=O)c1ccc(NC(=O)CBr)cc1 5796986 MLEHUQGOPDXVLZ-UHFFFAOYSA-N 286.125 2.197 50 40 CEGB C/C(=N/NC(=O)Cc1ccccc1)c1ccccc1O 12574602 NGTIPBFDQUHOGH-ATVHPVEESA-N 268.316 2.475 50 40 CEGB C[C@]12[C@@H](Br)[C@@H]3[C@@H]4[C@@H]1C(=O)[C@H]1[C@@H]2[C@H]3C[C@H]41 169795872 DYJXAYHLFCEUAR-FVNXRGFPSA-N 253.139 2.097 50 40 CEGB IC[C@@H]1Cc2ccccc2O1 6576134 UWDBAXBXJVIZMN-QMMMGPOBSA-N 260.074 2.425 50 40 CEGB in-vitro O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccco1 8354876 FOCXWFKQZDELFI-UHFFFAOYSA-N 294.310 2.437 50 40 CEGB CCN(CC)C(=O)c1cccc(NC(=O)CCl)c1 12504873 QXCDNGZFLXCDTR-UHFFFAOYSA-N 268.744 2.346 50 40 CEGB CCOC(=O)NNC(=O)Nc1nc2c(s1)C[C@H](C)CC2 49206426 ZHNKFRIPCZCLEW-SSDOTTSWSA-N 298.368 2.051 50 40 CEGB CCOC(=O)NNC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 49206428 ZHNKFRIPCZCLEW-ZETCQYMHSA-N 298.368 2.051 50 40 CEGB CC(C)(C)NCC(=O)N/N=C/c1ccc(Cl)cc1 408729097 ANHHXIBZUAYHBN-LZYBPNLTSA-N 267.760 2.178 50 40 CEGB CS(=O)(=O)[C@@H](Cl)C(=O)c1cccc(Cl)c1 96517750 QLFABVZTHRCSEN-SECBINFHSA-N 267.133 2.132 50 40 CEGB O=C(c1ccccc1)[C@@H]1N=NC[C@@H]1Br 100188302 QYLNQDMCYFJUEC-DTWKUNHWSA-N 253.099 2.467 50 40 CEGB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2Cl)cc1 4558193 YFHNKAAHIKQLST-RYUDHWBXSA-N 273.785 2.433 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccccc1C 96518960 VDADFDSXPVBBNR-MNOVXSKESA-N 262.758 2.028 50 40 CEGB O=S(=O)(CCCBr)c1ccccc1 19788633 ZJVQVMPTLHGCSC-UHFFFAOYSA-N 263.156 2.245 50 40 CEGB COc1cc2c(cc1OC)/C(=C/C#N)NC(C)(C)C2 17724564 CTCFLUQNKNIBFD-XGICHPGQSA-N 258.321 2.493 50 40 CEGB CC1(CC(=O)N/N=C/c2cccc3ccccc23)OCCO1 47287 UJSPVZALWPYGQZ-LDADJPATSA-N 298.342 2.443 50 40 CEGB CCOC(=O)[C@H](Cl)Cc1cccc([N+](=O)[O-])c1 63288 DHYRPHZNIQKSLW-SNVBAGLBSA-N 257.673 2.308 50 40 CEGB COc1ccc(C(=O)NN=C(CCl)CCl)cc1 100244209 GMYKZNLZXSCFLZ-UHFFFAOYSA-N 275.135 2.259 50 40 CEGB CC(=O)N/N=C(/C)c1cccc(NC(=O)C(F)(F)F)c1 5380958 LJXWVOAFZKJNCW-IDUWFGFVSA-N 287.241 2.048 50 40 CEGB CC(C)(C)OC(=O)NC1CC(I)C1 95630788 XGEFFDGFPRWHAW-UHFFFAOYSA-N 297.136 2.477 50 40 CEGB NNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 161654 YGOLZPODGJLAAW-UHFFFAOYSA-N 281.315 2.350 50 40 CEGB O=C(Cl)OCC1=Cc2ccccc2S1(=O)=O 2572860 ZYXGPSYADVTJGF-UHFFFAOYSA-N 258.682 2.190 50 40 CEGB NC(=O)Nc1ccc(N(CCCl)CCCl)cc1 1850133 IECGLDIOQJVETE-UHFFFAOYSA-N 276.167 2.461 50 40 CEGB Cc1ccc(/C=N/NC(=O)CSc2ccccn2)o1 548462 CHZFQXDIERYJIN-OVCLIPMQSA-N 275.333 2.225 50 40 CEGB CCC[C@H](C(=O)NNC(=O)c1ccncc1)c1ccccc1 3399522 WFDTWCYRLPITMG-HNNXBMFYSA-N 297.358 2.427 50 40 CEGB CCOC(=O)NNC(=O)c1cc2c(F)cccc2s1 9218443 CVTDDMDITDDGNZ-UHFFFAOYSA-N 282.296 2.431 50 40 CEGB OB(O)c1ccc(Oc2ccccc2)cc1C(F)(F)F 206628032 DPZHTCBBYPEVJV-UHFFFAOYSA-N 282.026 2.178 50 40 CEGB in-vitro Cc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O 498247 OKOMZBYAVXBMCN-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(C#N)cc2)cc1 358309 LFEBURXJOQJWQO-YBFXNURJSA-N 293.326 2.396 50 40 CEGB CCOC(=O)/C(C#N)=C(/S)NCc1ccccc1 100491832 UDJXSEHZEDIJCI-VAWYXSNFSA-N 262.334 2.004 50 40 CEGB O=C(NNC(=O)c1cccc2ccccc12)c1ccccn1 3177383 PXPCQQQRYGOFGH-UHFFFAOYSA-N 291.310 2.310 50 40 CEGB CC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C 3282524 OWNMQNDBYWKYQC-UHFFFAOYSA-N 256.714 2.234 50 40 CEGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc[nH]1 409366567 WHFJBLLOBYVKQF-CAOOACKPSA-N 276.727 2.230 50 40 CEGB Cc1cccc(N2CCN(C(=O)CCl)CC2)c1C 3888991 QQYHPSLGXKMHEG-UHFFFAOYSA-N 266.772 2.191 50 40 CEGB CC(C)OC(=O)COc1ccc(C=C(C#N)C#N)cc1 409187358 PJQDBIMBABNGHA-UHFFFAOYSA-N 270.288 2.448 50 40 CEGB O=C(CCl)Nc1ccc(Br)cc1C(=O)O 9646684 OFYMACOYOUBHNZ-UHFFFAOYSA-N 292.516 2.325 50 40 CEGB CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Br)C1 238135143 GFICPINAPXXEHE-BQBZGAKWSA-N 268.126 2.339 50 40 CEGB O=C(CCl)NCCOc1ccc(C(F)(F)F)cc1 57214369 IBFBWTZROQUROT-UHFFFAOYSA-N 281.661 2.439 50 40 CEGB in-vitro O=C(N/N=C\c1ccccc1Cl)c1cccnc1 12338977 YJWAPOQYJZJMGO-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB C[C@H](Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C 32627433 FLWWKJPWKZPBHF-JQWIXIFHSA-N 254.761 2.033 50 40 CEGB in-vitro O=C1C[C@@H](Cl)C(=O)N1c1ccc(Br)cc1 100746731 REHJQEADWNUDRY-MRVPVSSYSA-N 288.528 2.320 50 40 CEGB O=C(N/N=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 100208282 IXZPFOAOCXACKD-GDNBJRDFSA-N 269.260 2.359 50 40 CEGB Cc1ccc(N2C(=O)C[C@]3(C[C@@H](Cl)N=N3)C2=O)cc1 5179009 ABCJMEZJDMFQHT-GXFFZTMASA-N 277.711 2.418 50 40 CEGB COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1 71857481 RWKNIMGGBSCYST-HKMIMPICSA-N 276.311 2.192 50 40 CEGB O=C(CCCl)OCCCOc1ccc(C(=O)O)cc1 60003691 MYIRBRYPWMAEQC-UHFFFAOYSA-N 286.711 2.326 50 40 CEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 32064545 AROBCDXYSRXHRP-SXGWCWSVSA-N 287.250 2.498 50 40 CEGB BrCCCCCCN1CCOCC1 82049269 XFHXNWVCVUBTTR-UHFFFAOYSA-N 250.180 2.274 50 40 CEGB CCOC(=O)C/C(C)=N/NC(=O)Nc1ccccc1 4178104 IHGXYCGFTVMJQC-XNTDXEJSSA-N 263.297 2.137 50 40 CEGB CN(Cc1ccccc1)C[C@H]1CCN(C(=O)CCl)C1 79414811 NXQCGLBGDPVGLP-CQSZACIVSA-N 280.799 2.206 50 40 CEGB CCOC(=O)c1cnc(CBr)s1 95635334 QSASMAYDRANGTN-UHFFFAOYSA-N 250.117 2.215 50 40 CEGB O=C(NNc1ncccn1)C1(c2ccccc2)CCC1 44717190 GILKLJAGVOTQSQ-UHFFFAOYSA-N 268.320 2.042 50 40 CEGB O=C(O)C1C[C@H](Br)[C@H](Br)C1 118329 ASIZXNHIJAQVTG-NVGWPGHNSA-N 271.936 2.008 50 40 CEGB CSc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 237667 KZVHXDMQDSILEF-XNTDXEJSSA-N 294.376 2.012 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C 104223618 DCBYJECVILKFFL-XFXZXTDPSA-N 288.303 2.164 50 40 CEGB O=C(NNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1 13140934 GNHKRJTXYLVLBP-UHFFFAOYSA-N 294.232 2.179 50 40 CEGB COC(/C=C/Nc1ccc([N+](=O)[O-])cc1)=C(C#N)C#N 4013491 JNRNERYXONJVER-VOTSOKGWSA-N 270.248 2.468 50 40 CEGB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CCl 38228151 CFSJXQAYNSLOOT-JTQLQIEISA-N 290.791 2.131 50 40 CEGB COc1ccc(C(=O)NN)cc1COc1cccc(C)c1 224106016 MKUGXHWBTOWGMI-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB CN(C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 1106472 AEZZBHLREYPHIR-WEVVVXLNSA-N 295.136 2.150 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1 5737031 SQEMGQMYDMBJOD-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 100040641 BJDCWCLMFKKGEE-FDGJJPLOSA-N 284.352 2.187 50 40 CEGB COc1ccc(OC)c(/C=N/NC(=O)c2ccoc2C)c1 228173 MJBXGIMMABBIAX-CXUHLZMHSA-N 288.303 2.369 50 40 CEGB Cc1c(/C=C(\C#N)C(=O)N(C)C)c2ccccc2n1C 59333865 QLFUKNBXPNITFK-FMIVXFBMSA-N 267.332 2.482 50 40 CEGB CCOC(=O)/C(=N/Nc1ccc(C)cc1)C(=O)CCl 3267651 NFWFKDQUIQMYNV-FOWTUZBSSA-N 282.727 2.134 50 40 CEGB COc1cc(C(=O)NNC(=O)Cc2ccccc2)ccc1C 12932639 HEXBYYWHJKUFHT-UHFFFAOYSA-N 298.342 2.007 50 40 CEGB CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(F)ccc21 223826212 QXAJWCOLNSMNIC-JTQLQIEISA-N 277.343 2.206 50 40 CEGB Cc1ccc(Nc2nc(CC(=O)NN)cs2)cc1C 223449662 WBLLDTXSWQEJKY-UHFFFAOYSA-N 276.365 2.036 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1 5070171 DRLGCGYTPQFDJX-SDNWHVSQSA-N 288.347 2.145 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 5006486 BVWMTLQVNGJVCE-FMIVXFBMSA-N 283.331 2.146 50 40 CEGB N#CC(C#N)=Cc1sc(N2CCOCC2)nc1Cl 16138188 CSKKQDZAKCYMIO-UHFFFAOYSA-N 280.740 2.064 50 40 CEGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)o2)cc1 3150676 WAICTNUJWZMYSL-LICLKQGHSA-N 299.330 2.239 50 40 CEGB NNC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 2572386 NPXZEKUDZRRTQB-UHFFFAOYSA-N 295.342 2.279 50 40 CEGB C=CCCO[P@](N)(=O)N(CCCl)CCCl 100372701 UBJAZFXJPCTQTQ-HNNXBMFYSA-N 275.116 2.426 50 40 CEGB in-vitro COc1cccc(CNC(=O)[C@@H](C)Br)c1 41705841 QLPQCFPDBUQGAN-MRVPVSSYSA-N 272.142 2.095 50 40 CEGB Cc1ccccc1/C=N/NC(=O)Cc1cn2ccsc2n1 12658416 RGGUNIZPTYFMDU-CXUHLZMHSA-N 298.371 2.397 50 40 CEGB COc1ccc(/C=C/C(=O)N/N=C/c2ccncc2)cc1 409065247 FJLYNAIGBXUEAA-ZTKKEOLVSA-N 281.315 2.254 50 40 CEGB C[C@H](Br)C(=O)N1CCN(c2ccccc2)CC1 8703334 IZPIVLPDWWDZQS-NSHDSACASA-N 297.196 2.119 50 40 CEGB CC(C)C(=O)N/N=C1\C(O)=Nc2ccc(Cl)cc21 46426518 FCDUYSBSEWKQLL-UHFFFAOYSA-N 265.700 2.418 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 126595 BIIKOCZNKYGXME-LDADJPATSA-N 263.300 2.251 50 40 CEGB Cc1ccccc1C(=O)NNC(=S)NC1CCCCC1 508221 AVMOINTXRFLDRU-UHFFFAOYSA-N 291.420 2.437 50 40 CEGB C[C@]1(C(=O)NN)CC1(c1ccccc1)c1ccccc1 72333607 YSQJBMQVGZLHTJ-MRXNPFEDSA-N 266.344 2.373 50 40 CEGB CN(Cc1ccccc1)C1CCN(C(=O)CCl)CC1 83320837 SRAPNUXKCAOPGB-UHFFFAOYSA-N 280.799 2.348 50 40 CEGB CC[C@H]1CN1[P@](=O)(N1CCCC1)N1C[C@H]1CC 299848921 PBYOMSQTJQONJJ-JEMJHWDHSA-N 257.318 2.379 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 3320852 QKPDNYMHPGIHMT-GIJQJNRQSA-N 293.282 2.051 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1cc(F)ccc1F 93216 WEYNZBYZZUOMCZ-FPLPWBNLSA-N 252.220 2.347 50 40 CEGB COC(=O)c1ccccc1C[C@@H](Br)C#N 107399 VBJPMPUDQTYKFJ-SECBINFHSA-N 268.110 2.303 50 40 CEGB Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)Cl)(C4)C2)C3)n1 100776250 LUNMACCQJSXBFJ-BCVKRFQSSA-N 294.786 2.433 50 40 CEGB O=C(O)CSSc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 4990945 WAVDFLMUUYWNHJ-UHFFFAOYSA-N 290.278 2.328 50 40 CEGB Cc1scc(C(=O)NNC(=S)NCC(C)C)c1C 8684126 APCWAIUSSUNTJK-UHFFFAOYSA-N 285.438 2.130 50 40 CEGB CNC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(F)c1 409072094 BCBAGCOATXUFFF-WQLSENKSSA-N 273.311 2.079 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccco2)cc1[N+](=O)[O-] 5942723 JEOTUQAVCJHCJY-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB CC1(CC(=O)N/N=C/c2ccc(Cl)cc2)OCCCO1 5415336 KPHJJQAXRQSYIS-MHWRWJLKSA-N 296.754 2.333 50 40 CEGB CCC(=O)NNc1nc2c(OC)ccc(OC)c2s1 251247 ZVYVIDFVNAYBDE-UHFFFAOYSA-N 281.337 2.167 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1 315844 LNJAWQMMNHHLNU-UHFFFAOYSA-N 268.316 2.378 50 40 CEGB Cc1cccc(C(=O)N/N=C/c2cccc(O)c2)c1 63981 IHARVZTYSPYJNI-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB CC(C)(C)OC(=O)NNC(=O)CCCOc1ccccc1 6882716 IMVKDEDCSHUWSU-UHFFFAOYSA-N 294.351 2.402 50 40 CEGB N#C/C(=C\c1cccc(F)c1F)C(=O)NC[C@@H]1CCCO1 96298367 KHBQOIGKCVWXTB-VNKGSWCUSA-N 292.285 2.167 50 40 CEGB COc1ccc2ccc(OC)c(/C=N/NC(=O)CC#N)c2c1 409015000 QVNIAGVMMWZFLZ-VCHYOVAHSA-N 297.314 2.221 50 40 CEGB COc1ccc(OCC(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1 38586253 NGUISIISESAFAS-GBXRSTFDSA-N 286.331 2.142 50 40 CEGB O=C(CBr)Nc1ccn(CC2CCCC2)n1 96524110 NABATOWYYDCMRD-UHFFFAOYSA-N 286.173 2.407 50 40 CEGB C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 101268423 BLUAFEHZUWYNDE-QZQBNTTGSA-N 282.336 2.395 50 40 CEGB N#C[C@H](Br)CNC(=O)Oc1ccccc1 6575462 TVLWWNQCKFZNHG-QMMMGPOBSA-N 269.098 2.062 50 40 CEGB CN(C)CC(=O)NN(c1ccccc1)c1ccccc1 2642760 FQJXSTXEICSTSY-UHFFFAOYSA-N 269.348 2.418 50 40 CEGB CC(C)CNC(=O)c1ccccc1NC(=O)CCl 3887827 KIYDHIXOFIPEFE-UHFFFAOYSA-N 268.744 2.250 50 40 CEGB COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccnc1 5335560 GHNXTHKOSGJBSR-HNNXBMFYSA-N 279.299 2.308 50 40 CEGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1nccs1 6602153 RUUUZDWHWKLSEM-BJMVGYQFSA-N 299.311 2.417 50 40 CEGB COc1cccc(C[C@@H](Br)C(=O)O)c1 76317593 YIZDLHJLCXVJGU-SECBINFHSA-N 259.099 2.086 50 40 CEGB CCN(Cc1ccccc1)[C@H]1CCN(C(=O)CCl)C1 79414882 BCWFPVUYDOYBGQ-AWEZNQCLSA-N 280.799 2.348 50 40 CEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1 3061035 ZWPQKEIOYCLGFB-WOJGMQOQSA-N 295.342 2.392 50 40 CEGB COc1cc(C)c([C@@H](C)NC(=O)CCl)cc1OC 62146668 YNFAXAPFGSXDKR-SECBINFHSA-N 271.744 2.428 50 40 CEGB in-vitro CCOC(=O)c1c(NC(=O)CCl)oc(C)c1C(C)=O 3330557 KFQOYASWJYMVFZ-UHFFFAOYSA-N 287.699 2.145 50 40 CEGB COc1ccc(N2C[C@H](CCl)OC2=O)cc1OC 38478236 DZHSXMZHABDQHC-VIFPVBQESA-N 271.700 2.268 50 40 CEGB Cc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1C 33435315 GDJKXMVOPKLGJB-SNVBAGLBSA-N 251.713 2.422 50 40 CEGB CC(=O)Nc1ccc(/C=C(/C#N)C(=O)N2CCCC2)cc1 33409813 QEQCRAHIUKJFBR-UVTDQMKNSA-N 283.331 2.174 50 40 CEGB FC1(CBr)CCC2(CC1)OCCO2 238664158 WGZKOHMBLNAPLD-UHFFFAOYSA-N 253.111 2.407 50 40 CEGB O=C(N/N=C/c1ccc(F)s1)c1n[nH]cc1Cl 252484368 FUWIQBGGXQITRN-KGVSQERTSA-N 272.692 2.028 50 40 CEGB CCOc1ccc(C(=O)NNC(=O)c2cccs2)cc1 569141 JRQUZWCOANLQRC-UHFFFAOYSA-N 290.344 2.222 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccncc2)c(OC)c1 12571618 QHSSBHINFGXAPX-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB CCOC(=O)c1ccccc1NC(=O)CCCl 1671441 OXAWLAJPJIUJSF-UHFFFAOYSA-N 255.701 2.431 50 40 CEGB CCn1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)n1 373001 MOPYJTPFNHFFNG-UHFFFAOYSA-N 261.237 2.030 50 40 CEGB C[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@]13C)[C@@H]2I 103859453 MCUBUFTVKLBTBK-XPERKHEUSA-N 292.116 2.008 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@@H]2CC[C@@H]1C2 102123314 LMDYJALQGMNNBR-DDVQTAGUSA-N 287.319 2.430 50 40 CEGB C/C(NN(C)C)=C(\C#N)C(=O)/C=C\c1cccs1 104269728 ZNWYXEYZINVTHA-CEHXRRPISA-N 261.350 2.194 50 40 CEGB CCOCCCNC(=O)/C(C#N)=C/c1ccccc1C 3307758 VIUSJKUYYFNOPQ-RVDMUPIBSA-N 272.348 2.445 50 40 CEGB Cc1cccc(/C=N/NC(=O)Cn2cnc3ccccc32)c1 7993325 NBCGVILDMXTTDE-VXLYETTFSA-N 292.342 2.495 50 40 CEGB O=C(COc1ccccc1Cl)NN=Cc1cccnc1 8911498 KPUKPSZTPSXLJT-UHFFFAOYSA-N 289.722 2.264 50 40 CEGB CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCl)C1 79414822 RTKLJPOJZXYHKM-AWEZNQCLSA-N 280.799 2.348 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 252836 WPAQGPFTKAUUCS-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)OCO2)C1[C@H]2CCCC[C@@H]12 18099176 DBZYKKHONRXLOZ-MOPZTMARSA-N 286.331 2.302 50 40 CEGB COC(=O)[C@@H](Br)Cc1ccc(F)cc1 20272480 FNDLRZYMJAWLGJ-VIFPVBQESA-N 261.090 2.305 50 40 CEGB CC(=O)N1CCCc2cc(C(=O)CCl)ccc21 20267540 HBLDULRPGAMBEU-UHFFFAOYSA-N 251.713 2.407 50 40 CEGB N#C/C(C(=O)NC1CCCCC1)=C1\N=C(N)c2ccccc21 100425269 AIFZQSIGSNYVRO-CCEZHUSRSA-N 294.358 2.089 50 40 CEGB Cc1ccc(C(=O)NNC(=O)C[C@H]2C=CCC2)c(C)c1 8143547 UCAVBFXZCQWSGJ-ZDUSSCGKSA-N 272.348 2.421 50 40 CEGB C=CCNC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-] 3570465 BUMSTTHKPNLEFW-OAPZVAQESA-N 283.287 2.360 50 40 CEGB COc1ccccc1OCC(=O)N/N=C1\C=C(C)CC1 13138643 VMITVHLGCZDHNZ-VBKFSLOCSA-N 274.320 2.286 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1ccc2c(c1)OCCCO2 7698755 VIUFDHFGWLECLM-KHPPLWFESA-N 288.303 2.230 50 40 CEGB CCOc1ccc(/C=N\NC(=O)Cc2cccn2C)cc1 31841436 ZAQPMQSOMITXMO-ATVHPVEESA-N 285.347 2.117 50 40 CEGB C[C@H]1CN1[P@](=O)(N1C[C@H]1C)N1[C@@H](C)CC[C@H]1C 263632863 CQRYKXDHRSDBKV-DXASUXRZSA-N 257.318 2.376 50 40 CEGB O=C/C=C/C=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17004801 BKAXRHZDPTUAIN-DHWRHDBVSA-N 263.209 2.184 50 40 CEGB COc1ccc(Cl)c(OC(C)C)c1/C=N/NC(N)=O 2799846 FOEJGCVVQKFDIZ-GIDUJCDVSA-N 285.731 2.138 50 40 CEGB CCOC(=O)NNC(=O)c1oc2c(F)cccc2c1C 40467567 XWVRMRPLWUIXBM-UHFFFAOYSA-N 280.255 2.271 50 40 CEGB CN(C)C(/C=C/Nc1ccc(C#N)cc1)=C(C#N)C#N 100913222 HAASBDMHPOSVOU-BQYQJAHWSA-N 263.304 2.347 50 40 CEGB CC(=O)Nc1cccc(OCCBr)c1 20523745 XPWONSYXFAAWMK-UHFFFAOYSA-N 258.115 2.419 50 40 CEGB COc1cccc(N/C=C(/C#N)C(=O)OCCF)c1 100373567 HWQLKVFMANOZBD-KTKRTIGZSA-N 264.256 2.027 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 100065748 BLUAFEHZUWYNDE-BLYYJXBTSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro CC(=O)NNC(=S)Nc1cc(Cl)ccc1Cl 6317915 UCIRKFXINQNPJQ-UHFFFAOYSA-N 278.164 2.331 50 40 CEGB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CCl 79408698 CFSJXQAYNSLOOT-SNVBAGLBSA-N 290.791 2.131 50 40 CEGB BrCCn1cc(-c2ccccc2)nn1 91690277 FCMHWCIUBWPUOY-UHFFFAOYSA-N 252.115 2.340 50 40 CEGB CC1=C(C#N)[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1 14165559 AJMXPHQHUVZIKU-NSHDSACASA-N 289.722 2.212 50 40 CEGB CCC(CC)=NNC(=O)C(=O)Nc1cc(C)ccc1OC 59434007 JEYZONJRBFUKCH-UHFFFAOYSA-N 291.351 2.234 50 40 CEGB C/C(NN(C)C)=C(\C#N)C(=O)/C=C/c1cccs1 104269735 ZNWYXEYZINVTHA-PBDTWZTKSA-N 261.350 2.194 50 40 CEGB O=C(N/N=C/c1ccccc1O)NC1CCCCC1 3258629 CIGZYLJCFHDRNU-XNTDXEJSSA-N 261.325 2.358 50 40 CEGB CCCCNC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 16440960 DXPHUJJANNYYDV-XYOKQWHBSA-N 274.320 2.224 50 40 CEGB Cc1cc(=O)oc2cc(OCC(=O)Cl)ccc12 4284407 CTSWCAAFHPVFFO-UHFFFAOYSA-N 252.653 2.246 50 40 CEGB CC(=O)NCCCc1ccc(C(=O)CCl)cc1 4206144 ULBPQSQCAZJFFP-UHFFFAOYSA-N 253.729 2.177 50 40 CEGB CC(=O)N[C@@H]1CCOc2ccc(C(=O)[C@@H](C)Cl)cc21 41195233 BOUIKHWJPXBWGT-PRHODGIISA-N 281.739 2.456 50 40 CEGB O=C(N/N=C/CCc1ccccc1)c1cc(O)ccc1O 17009177 ISBIOCGUXUIQAS-LICLKQGHSA-N 284.315 2.446 50 40 CEGB Cc1c(C(=O)Cl)sc2nc(C(F)(F)F)nn12 91696074 RRBKOVAMBXGYSO-UHFFFAOYSA-N 269.635 2.497 50 40 CEGB N/C(=N\OC(=O)CCl)c1c(Cl)cccc1Cl 4280841 NZJCFDUFGNSQGM-UHFFFAOYSA-N 281.526 2.396 50 40 CEGB CC(C)(C)OC(=O)NNC(=O)/C=C/c1ccc(F)cc1 12937200 GWDAKTGGGFYKGH-RMKNXTFCSA-N 280.299 2.395 50 40 CEGB O=C(NNC(=O)[C@@H]1CC12CCC2)[C@H]1C[C@H]1c1ccccc1 4595418 VYNAFOKLOJTNBO-IHRRRGAJSA-N 284.359 2.128 50 40 CEGB COc1c(Cl)cc(C(C)(C)C)cc1C(=O)NN 57339246 QECVORSXYKMWDK-UHFFFAOYSA-N 256.733 2.250 50 40 CEGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)NC(N)=O 409228798 FKCCHOYSZUJJEA-CLTKARDFSA-N 284.102 2.095 50 40 CEGB NNC(=O)c1cccn1-c1cc(Cl)cc(Cl)c1 223728634 HMGZFWGYCNAQJM-UHFFFAOYSA-N 270.119 2.388 50 40 CEGB NC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 41214099 HMPQXWCYFWUGHH-GIJQJNRQSA-N 287.294 2.407 50 40 CEGB COc1ccc(Cl)cc1/C=C\C=C(\C#N)C(N)=O 16920262 MFGLLGUAIRYAOJ-AHYMPWADSA-N 262.696 2.297 50 40 CEGB COC(=O)/C(C#N)=C\c1cc(Br)ccc1O 5510612 RPLVKCWZTVAUHA-YWEYNIOJSA-N 282.093 2.235 50 40 CEGB NNC(=O)/C=C/c1cccc(OCc2ccc(F)cc2)c1 226338978 XDCDEXUVTRLBPK-RMKNXTFCSA-N 286.306 2.408 50 40 CEGB CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Cl)cc21 11770665 SQOKOWPNEUYYSU-MRVPVSSYSA-N 267.712 2.242 50 40 CEGB O=C(N/N=C/c1ccccc1)c1ccc2c(c1)OCCO2 1409981 AFPPKWFTXTVDFN-GZTJUZNOSA-N 282.299 2.222 50 40 CEGB CCOc1cccc(/C=N\NC(=O)c2ccco2)c1O 13943669 MWQRBYSREXYCIH-DHDCSXOGSA-N 274.276 2.148 50 40 CEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 5620920 VDJVFHOKFFNWQJ-GZTJUZNOSA-N 298.302 2.073 50 40 CEGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OC 409016065 UJBGAGIORJBXRW-MHWRWJLKSA-N 276.336 2.292 50 40 CEGB COC(=O)[C@@H](Br)c1ccccc1[N+](=O)[O-] 39153904 ALNXYSMZZZSIHH-QMMMGPOBSA-N 274.070 2.204 50 40 CEGB COc1ccc(OC)c(/C(C)=N/NC(=O)c2ccncc2)c1 33296177 XWZDQVWRJSGQHU-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB O=C(CCBr)N1CCc2ccccc2C1 41672009 KWDNEXYJQKCUAP-UHFFFAOYSA-N 268.154 2.356 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1cccc(C)c1 96518970 DVGSPBNDKFXIHY-QWRGUYRKSA-N 262.758 2.028 50 40 CEGB O=C(CCl)NCC#Cc1cccc(C(F)(F)F)c1 68581007 HNYXPQOLWIRGJN-UHFFFAOYSA-N 275.657 2.412 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccco1 5770305 KCXGADCDXHUWQS-IZZDOVSWSA-N 265.250 2.013 50 40 CEGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(N)cc1 4094750 FUNIZDPUPRPUOB-YVLHZVERSA-N 285.351 2.269 50 40 CEGB Cc1nn(-c2ccccc2)c(O)c1C=C(C#N)C#N 3072175 XSFOGTOTMKGWIJ-UHFFFAOYSA-N 250.261 2.317 50 40 CEGB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCl 79420774 DYYASEKEZREXGR-UHFFFAOYSA-N 256.689 2.182 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@@H]4C[C@@H]5[C@@H](C(=O)[C@@H]1[C@@H]53)[C@@H]42 195529054 DYJXAYHLFCEUAR-FLIYTGMKSA-N 253.139 2.097 50 40 CEGB CCc1ccc(C(=O)N/N=C/c2c(C)nn(C)c2F)s1 252478229 AFWDNAZRSQIELN-VIZOYTHASA-N 294.355 2.255 50 40 CEGB CCCNC(=O)NNC(=O)c1oc2ccccc2c1C 17007399 NXQKZDUEHVBSSG-UHFFFAOYSA-N 275.308 2.095 50 40 CEGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(N)=O 6220484 GYFWJDDRBRDFIH-YRNVUSSQSA-N 282.255 2.037 50 40 CEGB Cc1cc(N(C)NC(=O)C(C)(C)C)nc(Cl)c1C#N 12446162 ARACXGQAFBPOPP-UHFFFAOYSA-N 280.759 2.429 50 40 CEGB Cc1ccc(C)c2c1C(=O)C(=O)N2CCBr 22130254 DOROHBHNCKHRPZ-UHFFFAOYSA-N 282.137 2.228 50 40 CEGB CC(=O)N1CCc2cc(C(=O)CBr)ccc21 36220379 SXDJJQWHXHEGKG-UHFFFAOYSA-N 282.137 2.173 50 40 CEGB Cc1c(C(=O)NN)cccc1-c1cc2ccccc2oc1=O 216936192 WHJBVHGPABJQLP-UHFFFAOYSA-N 294.310 2.372 50 40 CEGB CC1=CC(C)(C)N(CC(=O)NN)c2cc(C)c(C)cc21 223188978 QJNMXZGNLQFXOP-UHFFFAOYSA-N 273.380 2.295 50 40 CEGB CCOC(=O)N1CCC(=NNC(=O)c2ccccc2)CC1 6206288 MNKNMZIEUKRMHV-UHFFFAOYSA-N 289.335 2.025 50 40 CEGB COc1ccccc1N/C=C/C(=C(C#N)C#N)N(C)C 100924362 NOPDDEWRVASLGT-CMDGGOBGSA-N 268.320 2.484 50 40 CEGB O=C(NNC(=O)C12CCCC(CCC1)C2)c1ccncc1 1464959 ROVRAHFGCAVZOO-UHFFFAOYSA-N 287.363 2.203 50 40 CEGB CCN(CC)C(=O)c1ccc(CNC=C(C#N)C#N)cc1 32584794 RLRSKQTVTWJCLU-UHFFFAOYSA-N 282.347 2.189 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(C(C)=O)cc1 6389017 UCJVWRLUNCKVAX-UHFFFAOYSA-N 279.365 2.007 50 40 CEGB CCOc1cc(Cl)cc(/C=N/NC(=O)OC)c1O 4674582 DYJAVDOHUCLQGY-AWNIVKPZSA-N 272.688 2.134 50 40 CEGB CC(=O)NNC(=O)CCn1c2c(c3ccccc31)CCCC2 4819740 VNEAHZDYPVYBEY-UHFFFAOYSA-N 299.374 2.078 50 40 CEGB N#C/C(C(=O)Nc1ccccc1)=C1/N=C(N)c2ccccc21 73641593 OGAMRAQUAIMWKV-PFONDFGASA-N 288.310 2.279 50 40 CEGB O=C(NC1CC1)[C@H](Br)Cc1ccccc1 95097276 ABYCEPXYEITTRZ-LLVKDONJSA-N 268.154 2.271 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2 237247 YZUSKHUSGAWFIW-RQZCQDPDSA-N 298.298 2.188 50 40 CEGB CCCC(=O)OC[C@@H](Br)CBr 1676062 QBSSONRXVOSUDT-LURJTMIESA-N 287.979 2.488 50 40 CEGB CCCN(CCC)C(=O)CI 1855643 LBIPFOYHSGHVPL-UHFFFAOYSA-N 269.126 2.070 50 40 CEGB O=C(N/N=C/c1ccsc1)c1ccc2c(c1)OCO2 3527059 LEAYGBWDTRMGPE-MKMNVTDBSA-N 274.301 2.241 50 40 CEGB Cc1nc(S)sc1CC(=O)NN(C)c1ccccc1 48624045 MBCGYFVZBWZDRA-UHFFFAOYSA-N 293.417 2.450 50 40 CEGB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC(=O)NN 5003791 PDQSVGLZIOOWSJ-SHUKQUCYSA-N 282.428 2.360 50 40 CEGB O=C(/C=C\CBr)OCC(=O)c1ccccc1 90469979 JARTYZWEUJDLPS-DAXSKMNVSA-N 283.121 2.364 50 40 CEGB C[C@H](Cl)C(=O)NC[C@H](c1ccccc1)N(C)C 32627428 FLWWKJPWKZPBHF-CMPLNLGQSA-N 254.761 2.033 50 40 CEGB in-vitro O=C(NCCCl)[C@@H]1Cc2c(ccc3ccccc23)O1 5777288 NVHBUVISLQXQMY-AWEZNQCLSA-N 275.735 2.498 50 40 CEGB O=C(Nc1ccccc1)[C@H](Cl)C(=O)C(F)(F)F 261829803 RNWATUMTPFBRKN-SSDOTTSWSA-N 265.618 2.364 50 40 CEGB CCOC(=O)[C@H](Br)CCCBr 100066930 IMJLPXIWIIDKHO-ZCFIWIBFSA-N 287.979 2.488 50 40 CEGB O=S1(=O)CCc2ccccc2[C@H](Br)C1 4403760 UMNCWECSMDPDOE-SNVBAGLBSA-N 275.167 2.094 50 40 CEGB Cc1cc(O)cc(O)c1/C=N/NC(=O)Cc1ccccc1 3153284 VEOOPNZCCVVQAO-LICLKQGHSA-N 284.315 2.099 50 40 CEGB Cc1occc1C(=O)NNC(=O)C1(c2ccccc2)CC1 25530288 HEDPCLMXPDMSLE-UHFFFAOYSA-N 284.315 2.081 50 40 CEGB O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 4680144 GDHGWMHWJIIZAI-GQOOKZHNSA-N 296.286 2.419 50 40 CEGB Cc1cc(Br)cc(/C=C(/C#N)C(N)=O)c1 98095723 GVBOJCPCDLLXMW-WTKPLQERSA-N 265.110 2.150 50 40 CEGB N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(N)=O 67448448 HWRLZEDOTQRJSO-CLTKARDFSA-N 272.638 2.334 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)o2)o1 48029 YJWCJPUKGVDPLW-RIYZIHGNSA-N 261.281 2.011 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 175438 ZAGAQIRSTYUNJF-RQZCQDPDSA-N 297.270 2.009 50 40 CEGB COc1ccc(/C=C(/C#N)C(N)=O)cc1C(C)(C)C 16323018 LQPCRHQPXFMPMK-XFFZJAGNSA-N 258.321 2.385 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cn(C)c2ccccc12 59334556 VYMSLXKFXRDKOA-FLIBITNWSA-N 253.305 2.173 50 40 CEGB COc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1 8995951 QUKCNUZTLLKGRG-NSHDSACASA-N 274.345 2.397 50 40 CEGB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2CC(=O)NN 223189414 KIUHBWOVCMFNKW-NSHDSACASA-N 261.369 2.077 50 40 CEGB CCOC(=O)/C=C1\CCCCCN1C(=O)[C@@H](C)Cl 96528474 HUKKFXONLUIYHD-OYVNLZQHSA-N 273.760 2.463 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccc(C)o2)c1 583017 MDUURTTXJPUOPB-OVCLIPMQSA-N 258.277 2.366 50 40 CEGB COC(=O)c1ccc(OCCC(=O)CCl)cc1 1572303 IAXJIPPRFYGKFN-UHFFFAOYSA-N 256.685 2.050 50 40 CEGB CCCC(=O)NNC(=S)Nc1cc(C)cc(C)c1 6388949 MZTDMGFHLDXQAI-UHFFFAOYSA-N 265.382 2.421 50 40 CEGB O=C(CCCC[C@H]1CCSS1)N=c1[nH]cc[nH]1 79485103 WAMWFSQWYBIPMA-VIFPVBQESA-N 271.411 2.484 50 40 CEGB C[C@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2ccccc21 223195187 LIDSKPIJHHOZMP-QWRGUYRKSA-N 261.369 2.157 50 40 CEGB COc1cccc2sc(NC(=O)CCl)nc12 62152144 ASXAPLGADHCULA-UHFFFAOYSA-N 256.714 2.482 50 40 CEGB in-vitro CCCCOC(=O)[C@@H](C)OC(=O)NNc1ccccc1 5783832 BTETVQWXCGDAHM-LLVKDONJSA-N 280.324 2.472 50 40 CEGB COc1ccnc(NNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)n1 46364505 UFALGLNODKUCAW-ZYHUDNBSSA-N 290.367 2.167 50 40 CEGB COC(=O)[C@@H](Br)c1ccc(C#N)cc1 1435913 NILGZRRSMPASHK-VIFPVBQESA-N 254.083 2.167 50 40 CEGB C[C@@H]1CCCC/C1=N\NC(=O)Cn1nc2ccccc2n1 368652 WDCRKCXPLOQJEF-VFJWTBQQSA-N 285.351 2.114 50 40 CEGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccco1 7850929 VWDCOLUSKVKXLJ-UHFFFAOYSA-N 297.314 2.004 50 40 CEGB CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9324526 FKDWJXNGHSJWBF-OVCLIPMQSA-N 272.260 2.115 50 40 CEGB Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 4149388 UTGFHMXDIHRTRK-ZDUSSCGKSA-N 266.304 2.245 50 40 CEGB Cc1ccc(/C=C(/C#N)c2nc(N)nc(N(C)C)n2)cc1C 97152277 HMAHKXXHXAASJQ-JYRVWZFOSA-N 294.362 2.201 50 40 CEGB C[C@H]1CC[C@@H]2[C@H](C)C(=O)O[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 100029903 BLUAFEHZUWYNDE-GOVFBXOQSA-N 282.336 2.395 50 40 CEGB Cc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1cccs1 125802 YBGFEINKDLKMET-SECBINFHSA-N 258.306 2.296 50 40 CEGB COc1ccc(C(=O)N/N=C(/C)c2ccco2)cc1OC 349540 COPAFLXBEITQCL-YBEGLDIGSA-N 288.303 2.451 50 40 CEGB COc1ccc(NC(C)=O)cc1NC(=O)C(Cl)Cl 6186234 DJHUUBRQMZHSIE-UHFFFAOYSA-N 291.134 2.396 50 40 CEGB Cc1cccc(OCC(=O)NNC(=O)C2CCCCC2)c1 512433 HPJGWOZKZLAJLN-UHFFFAOYSA-N 290.363 2.102 50 40 CEGB CC(C)Cn1c(=O)c2ccccc2n2c(CCl)nnc12 408712638 DEMKFPUMIYRIKJ-UHFFFAOYSA-N 290.754 2.439 50 40 CEGB CCCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 9364044 IMJDESVUAOALFV-UHFFFAOYSA-N 273.336 2.048 50 40 CEGB O=C(CSCc1ccccc1)N/N=C/c1cccnc1 12345243 BMWWNQKOLWWBPR-LICLKQGHSA-N 285.372 2.465 50 40 CEGB C/C(=N\NC(=O)c1cccc(O)c1)c1ccc(O)cc1 8408518 SVKKEQCWKCVVRK-MHWRWJLKSA-N 270.288 2.252 50 40 CEGB Oc1cc(O)cc(N(CCCl)CCCl)c1 1755794 OFUPHPHDJPGRQX-UHFFFAOYSA-N 250.125 2.382 50 40 CEGB C[C@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CC(=O)O 103612208 CQENDPLRWOGOPD-SCFXILDESA-N 275.142 2.230 50 40 CEGB CCc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1 95982967 PTBBPQJEYFZTAF-UHFFFAOYSA-N 263.341 2.448 50 40 CEGB Cc1ccc(CN2C[C@@H](C(=O)Cl)CC2=O)cc1 95919643 QAPURHNISUPNCY-NSHDSACASA-N 251.713 2.109 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1 40839742 YDBSMOOZKZHTLW-YBEGLDIGSA-N 254.289 2.465 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(F)cc1Cl 223707511 UWTMAAVUPKYYDN-UHFFFAOYSA-N 281.718 2.490 50 40 CEGB COc1ccc2[nH]c(C)c(CCNC(=O)CCl)c2c1 95482050 ZOCQTAKLVYHPCH-UHFFFAOYSA-N 280.755 2.382 50 40 CEGB NNC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1 226332481 XKHVAUKPGOHBLX-RMKNXTFCSA-N 286.306 2.408 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 17086103 XAHVYZXAXRMOSO-YBFXNURJSA-N 274.283 2.194 50 40 CEGB Cc1nn([C@H](C)C(=O)NN=C2CCCC2)c(C)c1[N+](=O)[O-] 541848 GLLVWXQLLVSACD-SNVBAGLBSA-N 293.327 2.015 50 40 CEGB C[C@H](NC(=O)[C@@H](C)Cl)c1ccc2c(c1)OCCO2 35222634 MBSXVKJHRIBPIO-BDAKNGLRSA-N 269.728 2.262 50 40 CEGB in-vitro CC(=O)O[C@@H]1[C@@H]2CC(C)(C)CC2=C(C=O)[C@@]2(C=O)C[C@]12C 103967912 MJXHKPSYLUUZDJ-WNOSKKOXSA-N 290.359 2.459 50 40 CEGB Cn1cc(C(=O)NN=C2CCCCCCC2)ccc1=O 5447444 KORNPWGTUAAEPF-UHFFFAOYSA-N 275.352 2.215 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1 4784676 RUMLPDZFWMBBKV-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1)c1cccnc1 5725288 QKGYPMKQMHULAC-SFQUDFHCSA-N 269.304 2.001 50 40 CEGB C=CCn1c(O)c(C(=O)NN=C(C)C)c(=O)c2ccccc21 5817060 JDBJEKMDEGLUDN-UHFFFAOYSA-N 299.330 2.019 50 40 CEGB O=C(NNC(=O)c1cc(F)ccc1F)c1cc(Cl)c[nH]1 9836390 QDKMELUHSRZGJK-UHFFFAOYSA-N 299.664 2.021 50 40 CEGB Cn1cc(/C=C(\C#N)c2nc3ccccc3n2C)cn1 9338176 OYDIUXGFYIDOJJ-KPKJPENVSA-N 263.304 2.371 50 40 CEGB BrC[C@H]1CCCN(c2ncccn2)C1 79440381 KEXOAMBFWHTYCM-SECBINFHSA-N 256.147 2.088 50 40 CEGB CCOc1c(/C=C(\C#N)C(N)=S)cccc1OC 33660014 QEIBDLFBGNUZML-JXMROGBWSA-N 262.334 2.287 50 40 CEGB O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccco1 199730 YETQCMMPTDYIDL-UHFFFAOYSA-N 296.282 2.213 50 40 CEGB CCOC(=O)c1sc(NCCOC)nc1CCl 12394449 UYNPIIPEVWGBGP-UHFFFAOYSA-N 278.761 2.117 50 40 CEGB CCC(=O)N1CCc2cc(C(=O)CCl)ccc21 20267532 XJSSSDVMPXBKFI-UHFFFAOYSA-N 251.713 2.407 50 40 CEGB in-vitro C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 5382103 BTZKFCRYOHDPRX-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB CC(=O)Oc1ccc(C(=O)CBr)cc1 32501079 SPCDJZGDCHUTIM-UHFFFAOYSA-N 257.083 2.190 50 40 CEGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cccnc2)c1 548812 QSPFVHPDHAYZMA-KPKJPENVSA-N 295.298 2.341 50 40 CEGB CCOC(=O)[C@H](C)Oc1ccc(NC(=O)CCl)cc1 162740 NYOUGYWJUVWPNE-VIFPVBQESA-N 285.727 2.194 50 40 CEGB O=C(NNc1nc2ccccc2[nH]1)c1ccc(O)cc1 288960 CDQJSPBTKYGCKJ-UHFFFAOYSA-N 268.276 2.025 50 40 CEGB O=C(NCCCC[C@H](Cl)C(=O)O)c1ccccc1 1683180 WMOJTMKMDUWHEH-NSHDSACASA-N 269.728 2.279 50 40 CEGB C[C@@H]1Oc2ccc(C(=O)[C@@H](C)Cl)cc2NC1=O 5175359 UMYXHENUOWTRNZ-RQJHMYQMSA-N 253.685 2.216 50 40 CEGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccccc1[N+](=O)[O-] 6336033 NGJYTQHVQCJDMC-BFQJWLLSSA-N 271.276 2.277 50 40 CEGB Cc1ccc(NCC(=O)N/N=C/c2ccc(O)cc2)cc1 4711880 FYAJYZHHMRCCHK-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB COc1cc(C=C(C#N)C#N)cc(OC)c1OC(C)=O 6822004 MMTLAAVEJXUSLY-UHFFFAOYSA-N 272.260 2.060 50 40 CEGB CCS(=O)(=O)[C@H](Cl)C(=O)c1ccc(C)cc1 96517803 NQEPDOUZTNYFLN-NSHDSACASA-N 260.742 2.177 50 40 CEGB CNC(=O)/C(C#N)=C/c1cccc(OC)c1OC(C)C 559109 OBOGLLQRHHSCEZ-XYOKQWHBSA-N 274.320 2.135 50 40 CEGB CC(=O)N/N=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 563783 YNBAUCIDOCXYRK-CAOOACKPSA-N 299.330 2.293 50 40 CEGB CCOC(=O)NNC(=O)c1ccc2[nH]c(C)c(C)c2c1 10032589 RPXNFKXEXOZFQC-UHFFFAOYSA-N 275.308 2.176 50 40 CEGB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Cl)cc1 4218836 KVZIMDNIVVWTAC-SECBINFHSA-N 253.729 2.175 50 40 CEGB in-vitro N#C/C(=C/c1ccncc1)c1nc2ccccc2c(=O)[nH]1 4813420 IBKNNPJKKTYJMF-XFXZXTDPSA-N 274.283 2.382 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1O 408757656 BIFUNSVPVHMSSC-LICLKQGHSA-N 284.315 2.473 50 40 CEGB COCCNc1ccc(C(=O)Cl)cc1[N+](=O)[O-] 218727105 ZBQNMTADOJWLEU-UHFFFAOYSA-N 258.661 2.032 50 40 CEGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccco1 12362398 JUNGQJBGKCNFQB-GZTJUZNOSA-N 282.303 2.170 50 40 CEGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1O 16437921 DPFYGTBQZWQDEW-UKTHLTGXSA-N 286.331 2.320 50 40 CEGB COc1cc(OC)cc(C(=O)NN=C2CCCC2)c1 6685694 SGZPRFBQMOPOER-UHFFFAOYSA-N 262.309 2.364 50 40 CEGB Cc1cccc(NC(=S)NNC(=O)C2CC2)c1C 2784573 AGDCJAPVSMQTQA-UHFFFAOYSA-N 263.366 2.031 50 40 CEGB Cc1occc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 524918 UNKNGYQXTQTUNG-WUXMJOGZSA-N 279.277 2.322 50 40 CEGB O=C(CCc1ccc(O)c(O)c1)N/N=C/c1cccs1 6222046 CAMRZZIGONPXAK-OQLLNIDSSA-N 290.344 2.242 50 40 CEGB CCC(CC)=NNC(=O)CCC(=O)NN=C(CC)CC 5296738 CIOUMNGMASFOKJ-UHFFFAOYSA-N 282.388 2.351 50 40 CEGB O=C(NC[C@H]1CCCO1)NN=C1C2CC3CC(C2)CC1C3 84136752 AZPXJZRCDYAZPK-GKJRHCAVSA-N 291.395 2.277 50 40 CEGB O=C(NNC(=O)c1cccs1)c1cc(F)cc(F)c1 6602391 HFEDMYLONUYRSQ-UHFFFAOYSA-N 282.271 2.101 50 40 CEGB C/C(=N\NC(=O)c1ccco1)c1ccc(C(=O)O)s1 15997811 WGNNJXISMTXERX-NTUHNPAUSA-N 278.289 2.193 50 40 CEGB CC(C)(C)NC(=O)C(=O)NN=C1CCCCCCC1 4832437 GACICPMMFXSMQV-UHFFFAOYSA-N 267.373 2.118 50 40 CEGB CNc1ncccc1/C=N/NC(=O)Nc1ccccc1 217039124 GUIBXVISDJSDPE-LICLKQGHSA-N 269.308 2.279 50 40 CEGB O=C(CCl)c1ccc(CN2CCOC2=O)cc1 228938256 SDSJDGMSLGXKEI-UHFFFAOYSA-N 253.685 2.060 50 40 CEGB CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(F)cc21 260622336 SWPKPAATDULRLK-SNVBAGLBSA-N 277.343 2.206 50 40 CEGB COCCOC(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1 7156402 VRDLYFXZZMATCD-MDWZMJQESA-N 275.304 2.106 50 40 CEGB COC(=O)/C(C#N)=C/n1c(=S)[nH]c2ccccc21 5502751 PVXJDFNXTIWHBW-BQYQJAHWSA-N 259.290 2.236 50 40 CEGB CCNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 8672323 OBBAZFAVESKXEV-MRVPVSSYSA-N 297.449 2.002 50 40 CEGB CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 79421431 AUHIJRVADWRUKL-LLVKDONJSA-N 283.755 2.302 50 40 CEGB O=[N+]([O-])c1ccccc1OS(=O)(=O)CCCCCl 95946062 RXGIZRKUXJPTFK-UHFFFAOYSA-N 293.728 2.322 50 40 CEGB NNC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 11920057 NVLIFBPGBVQFKW-UHFFFAOYSA-N 283.306 2.432 50 40 CEGB CN(C(=O)CCl)C1CCN(C(=O)OC(C)(C)C)CC1 79392475 PLWNMNNUBSYHBY-UHFFFAOYSA-N 290.791 2.083 50 40 CEGB CCc1cc(C(=O)NNC(=O)c2ccco2)sc1C 9609871 UXZDSHAXKVDQOW-UHFFFAOYSA-N 278.333 2.287 50 40 CEGB Cc1cccc(C(=O)NNC(=O)Cc2ccccc2)c1C 9256166 SMBNFIQYNGFCDG-UHFFFAOYSA-N 282.343 2.307 50 40 CEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(O)cc1 83331239 PNYZBTPYHXLABW-YVLHZVERSA-N 272.279 2.224 50 40 CEGB O=C(Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 95836267 WTBQGYFOUUEOKQ-UHFFFAOYSA-N 269.709 2.104 50 40 CEGB N#CC(C#N)=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21 5581444 JPWDNYLLZCMZIM-UHFFFAOYSA-N 271.261 2.495 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1 1739007 MWMVQXSEVKONQG-GZTJUZNOSA-N 284.315 2.468 50 40 CEGB COc1cccc2cc(C(=O)CBr)c(=O)oc12 195512 ZMHJVUAVKFWASF-UHFFFAOYSA-N 297.104 2.379 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1 5003870 GLAZTOWXPFVQLN-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB CC[C@H](C(=O)NN)N1c2ccccc2C(C)=CC1(C)C 223201226 SDNOYZCTWXFUJF-CYBMUJFWSA-N 273.380 2.457 50 40 CEGB Cc1cc2c(cc1C)N(CC(=O)NN)C(C)(C)C[C@@H]2C 223190026 XAEZBUQFIQGCDP-LBPRGKRZSA-N 275.396 2.386 50 40 CEGB CC(C)n1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253408583 YFXLSMDFPHGHNT-AWEZNQCLSA-N 298.346 2.279 50 40 CEGB Cn1cccc1/C=N/NC(=O)COc1ccc(Cl)cc1 137771 RHJGZDKCPQBCAH-CXUHLZMHSA-N 291.738 2.208 50 40 CEGB COc1ccc(C(=O)NN)cc1OCc1ccc(C)cc1 226318864 YMICZXWGBQWQNC-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB CCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1 40889368 YUQAZDYKGXPCPW-LCYFTJDESA-N 272.304 2.208 50 40 CEGB CC[C@H](C)C(=O)OC(=O)c1ccc([N+](=O)[O-])cc1 100269779 GJSXUVHDUMTLLV-QMMMGPOBSA-N 251.238 2.324 50 40 CEGB O=C(CC1CCCC1)NNc1nc(-c2ccncc2)no1 58213716 WXQFJSBWPCNVEO-UHFFFAOYSA-N 287.323 2.155 50 40 CEGB C=CCOc1cccc(/C=N/NC(=O)c2ccncc2)c1 3663941 TVEICAAIFBKEAH-LDADJPATSA-N 281.315 2.410 50 40 CEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1 409377584 INTMWDIPGPQXNA-QPEQYQDCSA-N 297.314 2.193 50 40 CEGB N#CC(C#N)=Cc1ccc(OCC(=O)O)c(Cl)c1 408842628 BHFFVULUBNJYIU-UHFFFAOYSA-N 262.652 2.234 50 40 CEGB CC(C)/C=N/NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 4967487 OIGSXTBHOFTXKA-LZYBPNLTSA-N 289.335 2.168 50 40 CEGB Cc1nc(-c2ccc(C)c(NC(=O)CCl)c2)n[nH]1 75772227 XNMYLJYECNIIMV-UHFFFAOYSA-N 264.716 2.266 50 40 CEGB in-vitro COc1ccc(NC(=O)[C@H](C)Cl)c([N+](=O)[O-])c1 5027132 ZRWAMGVKIUDXTG-LURJTMIESA-N 258.661 2.169 50 40 CEGB ClCc1nnnn1-c1ccc(Br)cc1 6658066 XZSXORLAFKCIIR-UHFFFAOYSA-N 273.521 2.164 50 40 CEGB CN(C)NC(=O)Cc1ccc(-c2ccccc2)cc1 9113906 GZYNTLTXFNLAEP-UHFFFAOYSA-N 254.333 2.489 50 40 CEGB CCOc1ccc(CC(=O)N/N=C\c2ccc(O)cc2)cc1 408712029 WLYPNFZZOIPWKN-PDGQHHTCSA-N 298.342 2.484 50 40 CEGB COCCOc1cccc(NC(=O)CBr)c1 35605193 FAYLBMGFYVODKJ-UHFFFAOYSA-N 288.141 2.045 50 40 CEGB O=C(CCl)Nc1cc(N2CCOCC2)ccc1Cl 34776706 IEKJCIPISHWCLH-UHFFFAOYSA-N 289.162 2.354 50 40 CEGB Cc1nonc1CSCI 616580910 YRLKZSQXQNJDQN-UHFFFAOYSA-N 270.095 2.004 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 260578 LQUSIKRZAVQOJL-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB CCC(=O)NN(CC)c1cc(C)c(C#N)c(Cl)n1 12418350 VXEIDPAMCDTOFK-UHFFFAOYSA-N 266.732 2.183 50 40 CEGB O=C(CNc1ccccc1)N/N=C\c1ccc(F)cc1 32119728 HNDDUVXORHCDEZ-ZDLGFXPLSA-N 271.295 2.388 50 40 CEGB C/C(=N\NC(=O)c1ccc(C)o1)c1ccc(O)cc1 583042 WVELUTNHPONMLG-XNTDXEJSSA-N 258.277 2.448 50 40 CEGB CC(=O)NC(=S)NC1=C(C#N)[C@@H]2CCCC[C@H]2S1 4293404 IBPWBDVIZMYGSQ-WCBMZHEXSA-N 281.406 2.038 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cccnc2)c1 23397264 FTWXJARYIPHSNV-ZDUSSCGKSA-N 283.331 2.308 50 40 CEGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccccc1 13337169 WMGNXSHCBFOLDJ-MHWRWJLKSA-N 268.272 2.149 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccsc1 339825 MJTSHOBPTMLOFX-LBPRGKRZSA-N 260.318 2.419 50 40 CEGB O=C(CCCl)N1CCN(c2ccc(F)cc2)CC1 3100518 QTWXBWQEFJCDAY-UHFFFAOYSA-N 270.735 2.103 50 40 CEGB CC(=O)N/N=C/c1ccc(N2CCCCC2)cc1C 409009648 AZTYYFUGWRCYSV-LFIBNONCSA-N 259.353 2.455 50 40 CEGB N#CC(/C=C1/Nc2ccccc2C1=O)=C(/N)N1CCCCC1 13748107 IVVZQZQMYNPIBV-LHWYIDFISA-N 294.358 2.358 50 40 CEGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(O)cc1 223604 LBSFQLMOPJKPOQ-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccncc1 13586204 YFGADQFOLMRFHM-INIZCTEOSA-N 292.342 2.366 50 40 CEGB Cc1cccc(OCC(=O)N/N=C\c2ccco2)c1C 9195878 YKNMAQSAYCTDLE-SXGWCWSVSA-N 272.304 2.426 50 40 CEGB CCS(=O)(=O)C1(c2nc(CCl)cs2)CC1 96531939 LTKRFJFRVUVVAK-UHFFFAOYSA-N 265.787 2.306 50 40 CEGB Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 270340 RPAUSHODIBDNCH-YRNVUSSQSA-N 256.261 2.404 50 40 CEGB O=C(NN=C1CCCCCCC1)C(=O)NC1CCCC1 59434290 AEQOZHSNTCISFB-UHFFFAOYSA-N 279.384 2.262 50 40 CEGB CC(C)c1[nH]nc2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 5633497 CVLQSHHVWJJIQY-LBPRGKRZSA-N 296.330 2.457 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(O)cc2O)n1 408975395 BAPGRNINZJLEMW-WUXMJOGZSA-N 283.287 2.159 50 40 CEGB O=C(CCl)Nc1ccccc1C(=O)N1CCCC1 409025772 WFHQZODZVTVJCJ-UHFFFAOYSA-N 266.728 2.100 50 40 CEGB COC(=O)c1cccc(C#N)c1CBr 44564138 GRKQJOGXXYPOSR-UHFFFAOYSA-N 254.083 2.240 50 40 CEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1 3008972 SLBVNTSPZCMLIW-VCHYOVAHSA-N 299.305 2.223 50 40 CEGB C/C(=N/NC(=O)c1n[nH]c2c1CCCC2)c1cccc(O)c1 8462023 ZMXRITVJVRDVHO-YVLHZVERSA-N 298.346 2.148 50 40 CEGB CC(=O)[C@@H](Cl)C(=O)c1c(C)nn(-c2ccccc2)c1O 104233972 BTWDQNLIDYLORY-GFCCVEGCSA-N 292.722 2.265 50 40 CEGB O=C(Cn1cncn1)NN(c1ccccc1)c1ccccc1 45165837 ZUCDDTBVPUYXBM-UHFFFAOYSA-N 293.330 2.148 50 40 CEGB COc1ccccc1CCC(=O)NNC(=O)c1ccccc1 3392763 BKQJNFUQOCPRCU-UHFFFAOYSA-N 298.342 2.089 50 40 CEGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccccc1Cl 7913225 OOWHJNBZHTULGG-SNVBAGLBSA-N 278.739 2.457 50 40 CEGB O=C(Cc1ccc(O)cc1)N/N=C1\C[C@H]2C=CC[C@@H]12 16989587 JMFITXDDKGCSNB-DUOMMXKQSA-N 256.305 2.003 50 40 CEGB CCCOc1ccc(NC(=O)NNC(=O)OC)c(C)c1 48697187 OQPYWFHKJGSMJJ-UHFFFAOYSA-N 281.312 2.176 50 40 CEGB CCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 3613860 WIPTZDXPLOFMBY-UHFFFAOYSA-N 298.342 2.290 50 40 CEGB CSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 9089244 FJXDUXUJXARTKQ-JTQLQIEISA-N 289.316 2.296 50 40 CEGB O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1cc(O)ccc1O 110297600 LCGLYIYCOPABGX-QEPOKVMRSA-N 260.293 2.004 50 40 CEGB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Cl)c1 36962946 YIZZGJYXFUWZBF-MRVPVSSYSA-N 255.701 2.347 50 40 CEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2)c1 581626 ITKFVVROIRODAK-GZTJUZNOSA-N 284.315 2.468 50 40 CEGB CC(C)c1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1 1752522 YRTUGCNCGLZPTQ-LDADJPATSA-O 282.367 2.248 50 40 CEGB C[C@@H](Cl)C(=O)Nc1c(C(N)=O)oc2ccccc12 4851900 DUSXAXPGLVUUCI-ZCFIWIBFSA-N 266.684 2.098 50 40 CEGB O=C(NNC(=S)Nc1ccccc1Cl)C1CC1 117068 FNUNALVHIOTNGO-UHFFFAOYSA-N 269.757 2.068 50 40 CEGB CCOCc1c(C)cc(C)c(/C=N/NC(N)=O)c1C 2843402 WDVTXSGHKFMPNU-FRKPEAEDSA-N 263.341 2.151 50 40 CEGB ICN1C[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1 104070070 STJLIHPXXWJOIP-ZYUZMQFOSA-N 275.133 2.133 50 40 CEGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1nccs1 6828866 XLELWVCYYQYMQG-UXBLZVDNSA-N 271.301 2.394 50 40 CEGB C/C(=N/NC(=O)COc1ccccc1)c1cccc(N)c1 15133466 JRNWNAZJBYQFMS-PDGQHHTCSA-N 283.331 2.188 50 40 CEGB COC(=O)c1ccc(Cl)nc1CBr 95098051 UFENIPHKPHMIMM-UHFFFAOYSA-N 264.506 2.417 50 40 CEGB COC(=O)c1ccc2nc(NC(=O)CCl)sc2c1 20131838 FEUOLARCRDLZPQ-UHFFFAOYSA-N 284.724 2.260 50 40 CEGB Cc1cc(C)nc(NNC(=O)NC2CCCCC2)n1 3232012 UYVWDVICGFSYIS-UHFFFAOYSA-N 263.345 2.052 50 40 CEGB CCOC(=O)NNC(=O)c1cc(Cl)sc1Cl 9336319 XAJCBXCYZVLSCP-UHFFFAOYSA-N 283.136 2.446 50 40 CEGB CC(C)=NNC(=O)CSCc1ccc(C#N)cc1 408720986 CHFBUICYVXAMLA-UHFFFAOYSA-N 261.350 2.303 50 40 CEGB CC(=O)Oc1cccc(C(=O)CBr)c1 72188021 YLJZSPJKMBFLRA-UHFFFAOYSA-N 257.083 2.190 50 40 CEGB Cc1cc(NC(=O)[C@H](C)Cl)ccc1N1CCOCC1 34776849 JOVYLLOFIXGPII-NSHDSACASA-N 282.771 2.397 50 40 CEGB O=C(N/N=C/c1ccc(F)s1)c1ccnn1C(F)F 252492619 MQOLFIXVRZUABB-LHHJGKSTSA-N 288.254 2.243 50 40 CEGB CCOC(=O)c1sc(NC(=O)CCl)cc1C 12505038 AJXUXSZIUVZKPC-UHFFFAOYSA-N 261.730 2.411 50 40 CEGB COc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1 16437891 IFVRXHNLVCHBHW-UKTHLTGXSA-N 256.305 2.225 50 40 CEGB CCOc1ccccc1/C=N\NC(=O)c1ccco1 17420978 QCWSFRQABXEZPX-GDNBJRDFSA-N 258.277 2.442 50 40 CEGB O=C(Cc1ccccc1)NNC(=O)c1cc2ccccc2o1 6509729 PRCZSHMLKDDCMK-UHFFFAOYSA-N 294.310 2.437 50 40 CEGB N#CC1=C(N)O[C@]2(C(=O)Nc3ccccc32)C2=C1CCCC2 132752 KULLMDFTIUGDRK-QGZVFWFLSA-N 293.326 2.429 50 40 CEGB biogenic COc1cccc(C(=O)N/N=C(\C)c2ccccn2)c1OC 17024754 VSDGMDLUCRIINX-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1C 1095473 HZOCEQCHPHNORZ-GXDHUFHOSA-N 269.348 2.248 50 40 CEGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C(=O)C1 1430710 PMEKQIHBWZPHKO-UHFFFAOYSA-N 267.210 2.136 50 40 CEGB C=CCOc1cccc(/C=N/NC(=O)c2cccnc2)c1 4502876 BUECWGPBOLBQDL-WOJGMQOQSA-N 281.315 2.410 50 40 CEGB C=CCNC(=S)NNC(=O)c1csc2ccccc12 6692248 TXDCTRJVLGDLRC-UHFFFAOYSA-N 291.401 2.196 50 40 CEGB Cc1ccccc1CC(=O)NNC(=O)C1CCCCC1 7541424 WLTFTGQQEPDKRR-UHFFFAOYSA-N 274.364 2.265 50 40 CEGB CC(=O)NNC(=O)COc1ccc(Cl)c2ccccc12 9153992 SJTHBCWOQQLMBF-UHFFFAOYSA-N 292.722 2.039 50 40 CEGB C[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1cccnc1 71903722 QPBDTQXMAPBHEV-JYVXZMADSA-N 267.288 2.459 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2/CCSC2)cc1 60218049 OZUNUBIGQAOFBC-QINSGFPZSA-N 263.366 2.016 50 40 CEGB O=C(N/N=C/c1cccs1)C(=O)NC1CCCCCC1 409006552 OXKAPYPVBYHPID-XNTDXEJSSA-N 293.392 2.037 50 40 CEGB O=C(NNc1ncccn1)c1cccc(-n2cccc2)c1 44716274 XWKVCSUGGQCBLX-UHFFFAOYSA-N 279.303 2.024 50 40 CEGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCC(C)C 346344 OJASLPNQWJKWPV-RQZCQDPDSA-N 289.335 2.094 50 40 CEGB O=C(c1ccccc1)[C@H]1N=NC[C@H]1Br 4726236 QYLNQDMCYFJUEC-BDAKNGLRSA-N 253.099 2.467 50 40 CEGB CC[C@@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)c1ccccc1 103100184 OBKVIZMONBBESF-KECPUOCWSA-N 286.331 2.049 50 40 CEGB COc1ccc(OC)c([C@@H](C)NC(=O)CCl)c1 2805063 KJGIQORERUZKTM-MRVPVSSYSA-N 257.717 2.120 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1 13893489 HCTNUJPHPGFKTG-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(O)c2)n1 408976306 FFTUWNUHEFKGLV-NTUHNPAUSA-N 267.288 2.453 50 40 CEGB O=C(N/N=C\c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 36147610 DDLIPVBMLYZKFF-DHDCSXOGSA-N 285.259 2.064 50 40 CEGB COc1cccc2c1O[C@@H](CI)C2 137950954 KANRWEYRUKBITN-MRVPVSSYSA-N 290.100 2.434 50 40 CEGB O=C(N/N=C/c1ccncc1)c1ccc(Cl)cc1 231649 HDBLJWPNSZISRV-CXUHLZMHSA-N 259.696 2.499 50 40 CEGB O=C(CBr)c1cccc2c1OCCO2 4277240 BSROYFIAEPSLCT-UHFFFAOYSA-N 257.083 2.035 50 40 CEGB O=C(CCl)N(Cc1ccco1)CC(F)(F)F 3426360 KDQRVVWZCXJTOS-UHFFFAOYSA-N 255.623 2.409 50 40 CEGB N#CC(C#N)=Cc1cocc1-c1ccc2c(c1)C(=O)NC2=O 4502040 AFDKRQFAZYQQJN-UHFFFAOYSA-N 289.250 2.261 50 40 CEGB CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 8845701 BCTATPUXLBFJIL-CQSZACIVSA-N 296.330 2.335 50 40 CEGB COc1ccc(CCC(=O)N/N=C/c2ccccc2O)cc1 3150867 XEZJAUGKOZZBNX-LDADJPATSA-N 298.342 2.484 50 40 CEGB CCOC(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-] 16924251 MJWJQNNNSOEOTB-YYKSKGJFSA-N 263.253 2.340 50 40 CEGB O=C1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@H]1Cl 1616668 FSJFWNXNDUIWQQ-RFZPGFLSSA-N 283.658 2.271 50 40 CEGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1COCCO1 32977817 LIJVMFJSWQNZRG-INIZCTEOSA-N 298.342 2.271 50 40 CEGB N#CC(C#N)=C(N)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 104836706 FEIQSTVDYYZISA-XLUWADSXSA-N 298.689 2.236 50 40 CEGB CC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 6317933 YCFVOSXWKLDTLT-UHFFFAOYSA-N 278.164 2.331 50 40 CEGB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2Cl)cc1 4558195 YFHNKAAHIKQLST-NEPJUHHUSA-N 273.785 2.433 50 40 CEGB CCCn1c(CCc2ccccc2)ccc1C(=O)NN 226028346 UHGOOKVKNQRRBF-UHFFFAOYSA-N 271.364 2.287 50 40 CEGB COc1ccc2cc(/C=N/NC(C)=O)c(Cl)nc2c1 36548 FFQKHRVPLPOKCV-VIZOYTHASA-N 277.711 2.367 50 40 CEGB Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1cccc(O)c1 61720260 BBCRSOQGPNEQRZ-KPKJPENVSA-N 296.330 2.288 50 40 CEGB O=C/C=C\C=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104153406 BKAXRHZDPTUAIN-JUEFVVJZSA-N 263.209 2.184 50 40 CEGB COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)Cl)CC2 2230559 GBLCZBAMCRQREO-SECBINFHSA-N 283.755 2.216 50 40 CEGB CCCCSC[C@H](O)C[C@H](CCC(C)C)C(=O)NN 2314768 QTJORSDXWZNJRU-QWHCGFSZSA-N 290.473 2.313 50 40 CEGB CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)N1CCCC1 48984919 ZTJCGSUMNGDCND-DHZHZOJOSA-N 272.352 2.237 50 40 CEGB CCC(=O)NNC(=S)Nc1cc(Cl)ccc1C 6396340 DHBHGJWZABEFPG-UHFFFAOYSA-N 271.773 2.376 50 40 CEGB CC(C)(C)C(=O)OC(=O)NCc1ccc(C(=O)O)cc1 616581094 QDFPJJBQJFHDIT-UHFFFAOYSA-N 279.292 2.184 50 40 CEGB C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc(C)c(C)c1 5617992 CSBNEYHSIUMBSO-GHRIWEEISA-N 290.363 2.297 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 261193 JYBRRHXSGUROBG-LICLKQGHSA-N 294.270 2.230 50 40 CEGB COC(=O)N[C@@H](NC(=N)c1ccccc1)C(Cl)Cl 3012307 XDZIHHXCCXYOEZ-SNVBAGLBSA-N 290.150 2.087 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cnc(SCC)n1C 1404933 JBXCUMMLHPRTFY-RMKNXTFCSA-N 265.338 2.002 50 40 CEGB CC(C)NC(=S)NNC(=O)C1(c2ccccc2)CCC1 25529917 YJULUOKPSZUIAJ-UHFFFAOYSA-N 291.420 2.012 50 40 CEGB CCCCC[C@H]1C[C@H](CC/C(C)=N/NC(N)=O)C(=O)O1 4762617 ZELHUNXPAOWFKO-ATARQRRYSA-N 283.372 2.323 50 40 CEGB CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)CCl)cc1 162739 NYOUGYWJUVWPNE-SECBINFHSA-N 285.727 2.194 50 40 CEGB NC(=O)[C@@H](Br)C12CC3CC(CC(C3)C1)C2 226050 IHWFKAOWMRMPIA-PZLWRYNDSA-N 272.186 2.452 50 40 CEGB COC(=O)c1scc(C)c1NC(=O)[C@H](C)Cl 499653 SPKRZDZVDTWKDM-LURJTMIESA-N 261.730 2.409 50 40 CEGB CC1(C)[C@]2(C)CC[C@]1(C(=O)O)[C@H](Br)C2=O 100319425 MTHNSUMNUZOJER-DIMCTHFVSA-N 275.142 2.230 50 40 CEGB Cc1ccc(C)c(SCC(=O)NNc2ncccn2)c1 44715401 SFYZDMNQZCTAIW-UHFFFAOYSA-N 288.376 2.329 50 40 CEGB COc1ccc(Cc2nc(CCl)no2)cc1OC 10536896 RCGPHIBXUJWNBO-UHFFFAOYSA-N 268.700 2.416 50 40 CEGB in-vitro N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CCCC1 3311516 UAVWLJHMNYTBFY-UVTDQMKNSA-N 298.342 2.196 50 40 CEGB CC(=O)Nc1ccc(C(=O)CCl)c(NC(C)=O)c1 4218623 ICMWRERCRNMAKK-UHFFFAOYSA-N 268.700 2.025 50 40 CEGB O=C1OC(=O)[C@H]2[C@@H]1C1CCC2(C(=O)Nc2ccccc2)CC1 97956217 MCYLMCCHGWYKOY-HUAZWFTRSA-N 299.326 2.131 50 40 CEGB CCOC(=O)[C@@]1(CCBr)CCCC1=O 34342938 JSNXGRLAIMVAEA-SNVBAGLBSA-N 263.131 2.074 50 40 CEGB Cc1nc2[nH]c3ccccc3n2c(=O)c1CCCl 239563049 RLKHEIAMTBOUDX-UHFFFAOYSA-N 261.712 2.266 50 40 CEGB CC(=O)N[C@H]1CCOc2c(C(=O)CCl)cc(C)cc21 41195241 UFFUUPHPWXVEKB-LBPRGKRZSA-N 281.739 2.376 50 40 CEGB C[C@H](NNC(=O)c1ccccc1)c1ccc(N)cc1 5586990 LYMXIYYANBMZCC-NSHDSACASA-N 255.321 2.264 50 40 CEGB COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1C 198106 HOMMFHOPKKKUON-UHFFFAOYSA-N 298.371 2.222 50 40 CEGB CCOC(=O)N(NC(=O)NC(C)C)c1ccccc1 1650768 BZBGEHIOJOHMRL-UHFFFAOYSA-N 265.313 2.272 50 40 CEGB CCOC(=O)c1[nH]c(CCl)c(C(=O)OCC)c1C 1712456 JILWNPCXUWNMRW-UHFFFAOYSA-N 273.716 2.415 50 40 CEGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 369715 DBTGDJLRURNRLD-XYOKQWHBSA-N 274.320 2.176 50 40 CEGB COc1ccc(-c2nnc(NC(=O)CCCl)o2)cc1 9062288 BJAZREPMQUENLD-UHFFFAOYSA-N 281.699 2.313 50 40 CEGB ClCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1 1832012 YLBIFSOKPRPQPO-UHFFFAOYSA-N 288.798 2.127 50 40 CEGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccccc1 31601641 LDCJHBPONKAQST-SXGWCWSVSA-N 268.272 2.179 50 40 CEGB CC1(C)CC(=O)[C@H]2C(CCCBr)=NN[C@@H]2C1 228920170 ZKCBZBYIDMUQDC-KOLCDFICSA-N 287.201 2.495 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1O 263110 HHNUQTWHVVKYHD-NTUHNPAUSA-N 291.288 2.126 50 40 CEGB CCc1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)cs1 252487719 IAMOPKLHGKEDPY-GIDUJCDVSA-N 294.355 2.255 50 40 CEGB COc1cc([N+](=O)[O-])c(C#N)cc1OCCCCl 201533534 XSMNXXLYXKDEQC-UHFFFAOYSA-N 270.672 2.483 50 40 CEGB COc1ccc(OCC(=O)N/N=C(/C)c2ccccn2)cc1 6013920 JBOBOIPQLZCNDP-PDGQHHTCSA-N 299.330 2.009 50 40 CEGB COc1cccc(OC)c1NC(=O)NCCCl 5022112 LVEPMIDOBXJGDU-UHFFFAOYSA-N 258.705 2.064 50 40 CEGB CC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1C 5362131 VNDRPTVQKZNTMR-CXUHLZMHSA-N 281.743 2.489 50 40 CEGB COc1ccc(/C=N/NC(=O)CN(C)c2ccccc2)cc1 59774 UZLYXSUYOWNDAT-LDADJPATSA-N 297.358 2.282 50 40 CEGB NNC(=O)Cc1cc2ccccc2n1Cc1ccccc1 54907 BOVMMVIYYRLGPQ-UHFFFAOYSA-N 279.343 2.222 50 40 CEGB CN1C(=O)C(C)(C)c2cc(C(=O)CCl)ccc21 34325888 OQBRVZPKULURAO-UHFFFAOYSA-N 251.713 2.362 50 40 CEGB O=C(CCl)NC[C@H]1CCCCN1Cc1ccccc1 79393662 FTAHIWDHVFXLKO-CQSZACIVSA-N 280.799 2.396 50 40 CEGB CC(=O)O[C@@H]1NC(=O)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 195807952 GWHDKFODLYVMQG-UISBYWKRSA-N 287.432 2.032 50 40 CEGB C=CCn1cc(/C=C(/C#N)C(N)=O)c2ccccc21 1409496 VCOPWSYZXNITCT-FLIBITNWSA-N 251.289 2.220 50 40 CEGB O=C(O)c1ccc(N(CCCl)CCCl)cc1O 1693043 RCJBFPZMYFVFSW-UHFFFAOYSA-N 278.135 2.374 50 40 CEGB CC1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@H]2C#N 5977700 LXTCJCBMPODWLL-XQVHRTOBSA-N 261.350 2.117 50 40 CEGB Cc1ccc(S(=O)(=O)CI)cc1 68586304 FHXRXZOSNIASHH-UHFFFAOYSA-N 296.129 2.161 50 40 CEGB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CCl)CC1 100177879 JVQWVCLDFYLNBX-AOOOYVTPSA-N 290.791 2.177 50 40 CEGB CCOC(=O)/C(C#N)=C(\C)N1CCc2ccccc2C1 16681960 GUGXEEZUAFRLAG-NTCAYCPXSA-N 270.332 2.405 50 40 CEGB CCOC(=O)/C(C#N)=C1\SC=C(N)N1c1ccccc1 16940393 MHWCDGSRDAGZHU-QBFSEMIESA-N 287.344 2.296 50 40 CEGB Cc1cccc(Cl)c1N/C=C(\C#N)c1nnn[nH]1 100942369 SUPNXAOKBSBCDB-SOFGYWHQSA-N 260.688 2.138 50 40 CEGB C/C(=N/NC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1 438539 OHSOTCFOFXZEMU-GZQZNAIASA-N 297.314 2.027 50 40 CEGB CCOc1ccc(NC(=S)NNC(=O)CC(C)C)cc1 5949206 XVXPAZLDWUNXGR-UHFFFAOYSA-N 295.408 2.449 50 40 CEGB Cn1c(=NNC(=O)c2ccccc2)ccc2ccccc21 409415930 IHEGZXKGVJSPFP-UHFFFAOYSA-N 277.327 2.424 50 40 CEGB CCC[C@H](O)c1ncc(C(=O)OCC)c(CCl)n1 72220963 OBOFJLHJYBCMFO-JTQLQIEISA-N 272.732 2.226 50 40 CEGB N#CC1(NC(=O)N(CCCl)N=O)CCCCC1 5566709 VABXHXNALFXBEQ-UHFFFAOYSA-N 258.709 2.145 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cc2c(cc1C)OCO2 5952661 DCMKSXXGELVLNG-VZUCSPMQSA-N 259.261 2.194 50 40 CEGB Cn1cccc1/C=C(/C#N)C(=O)NCc1ccccc1 207819162 LLMAGOGLDJTOQT-UVTDQMKNSA-N 265.316 2.248 50 40 CEGB CN(C)/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 165787 GHIOFMHWRIECPK-DHZHZOJOSA-N 270.741 2.040 50 40 CEGB Cc1cccc(/C=N/NC(=O)CSC(C)(C)C)n1 5619985 IQPSCXNNOBIOAI-RIYZIHGNSA-N 265.382 2.372 50 40 CEGB COc1ccc(Nc2ccccc2C(=O)NN)cc1 1555712 UGUBFVZMPGDOGI-UHFFFAOYSA-N 257.293 2.042 50 40 CEGB O=S(=O)(c1ccccc1)[C@H]1[C@H]2C[C@H]3[C@@H]([C@@H]2Cl)[C@@H]31 103684679 PTGDUGPVEWYOLE-WTHWOGDNSA-N 268.765 2.332 50 40 CEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](C#N)[C@@H]1c1cccc(Cl)c1 66087976 PINIDGPABYMYMH-KCQAQPDRSA-N 293.717 2.347 50 40 CEGB Cc1ccccc1S(=O)(=O)N(C)SCl 238296988 ZHBAKTASVKXKPN-UHFFFAOYSA-N 251.760 2.418 50 40 CEGB O=C(N/N=C1/CCc2ccccc21)c1ccccn1 33563388 OSJIIRTXRDIPIQ-LGMDPLHJSA-N 251.289 2.162 50 40 CEGB Cn1nnnc1[C@H](Cl)CC(Cl)(Cl)Cl 2451724 CKROKOBXGDZZJX-GSVOUGTGSA-N 263.943 2.250 50 40 CEGB O=[N+]([O-])c1ccccc1[C@@H](O)CCBr 4614387 JCMLMDWDGUHLDN-VIFPVBQESA-N 260.087 2.413 50 40 CEGB O=Cc1ccc2c(c1)C[C@H](CI)O2 218743598 OXKWAUUBJMKUEC-SECBINFHSA-N 288.084 2.238 50 40 CEGB CCS(=O)(=O)c1ccc(OC)c(N=C=S)c1 19872845 FJLYGPAKGYDWCF-UHFFFAOYSA-N 257.336 2.223 50 40 CEGB O=C(CCl)Nc1nnc(-c2ccc3c(c2)OCO3)s1 1431176 KVQQGDGMIAJVMG-UHFFFAOYSA-N 297.723 2.111 50 40 CEGB C/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(N)cc1 258840 NTAZMDDQZGTHFA-ZDLGFXPLSA-N 268.320 2.005 50 40 CEGB Cc1ccc(OCc2ccc(C(=O)NN)o2)cc1C 115422 FDSCRLSVKLOFBT-UHFFFAOYSA-N 260.293 2.079 50 40 CEGB C[n+]1sc2ccccc2c1NNC(=O)c1ccccc1 3091336 IBVAWMURTKKKLF-UHFFFAOYSA-O 284.364 2.483 50 40 CEGB N#CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 6927313 OVHGKXUAWYGXKW-CPNJWEJPSA-N 293.326 2.282 50 40 CEGB COc1ccc(C)cc1C[C@H](Br)C(=O)O 107843471 JFZNOVMBKMXOIS-VIFPVBQESA-N 273.126 2.394 50 40 CEGB CC1(C)[C@]2(C)CC[C@]1(C(=O)O)[C@@H](Br)C2=O 100766092 MTHNSUMNUZOJER-MQOMDTIOSA-N 275.142 2.230 50 40 CEGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O 18322451 TZERRSCUROWUOM-MHWRWJLKSA-N 299.286 2.454 50 40 CEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 408811103 QOKGWRCIOOOVKF-LQELWAHVSA-N 283.331 2.411 50 40 CEGB Cc1ccc(/C=N/NC(=O)COc2ccccc2)o1 498317 MTRMTWOTHNRXPY-OQLLNIDSSA-N 258.277 2.117 50 40 CEGB Cc1cc(NC(=O)CCNC(=O)[C@H](C)Cl)ccc1F 8733237 OOQCJJVUTUOWDF-VIFPVBQESA-N 286.734 2.206 50 40 CEGB COc1cccc(C(=O)N/N=C/c2ccc(N(C)C)o2)c1 2768311 YBFRQAPWFOFGTA-MHWRWJLKSA-N 287.319 2.118 50 40 CEGB COC(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 101041794 PYWSEEVRSGAIKG-UPZJHPNMSA-N 289.169 2.318 50 40 CEGB CC(C)NC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12 13141594 RHKJYCYNIVCZGU-JXMROGBWSA-N 288.738 2.419 50 40 CEGB CCOC(=O)N(C)/N=C/c1coc2ccccc2c1=O 255190237 VUCBDQQFLAGMMM-OVCLIPMQSA-N 274.276 2.215 50 40 CEGB CCC/C(=N/NC(=O)[C@H]1CCCO1)c1ccccc1 17024188 YJHQBFSUQXBLHC-UMWKZLPKSA-N 260.337 2.486 50 40 CEGB Cc1[nH]nc2c1[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 809425 YPWOSYCQBUWZKO-LBPRGKRZSA-N 288.257 2.215 50 40 CEGB C[n+]1c(NNC(=O)c2ccccc2)ccc2ccccc21 3091441 IHEGZXKGVJSPFP-UHFFFAOYSA-O 278.335 2.421 50 40 CEGB Cc1ccc(C(=O)NNC(=O)Cc2cccs2)cc1 3555147 ZLSQBDQGUAOVJB-UHFFFAOYSA-N 274.345 2.060 50 40 CEGB Nc1ccc(C2=NO[C@H](CBr)C2)cc1 140502047 NFDCTMKMTLNSPW-VIFPVBQESA-N 255.115 2.157 50 40 CEGB C[C@H](Oc1ccccc1)C(=O)NN=Cc1ccccc1O 252429508 XOTFCWDYZATHBY-LBPRGKRZSA-N 284.315 2.310 50 40 CEGB COc1ccc(O)c(/C=N/NC(=O)Cc2ccccc2)c1 3031306 XXWUWPMYLLOFGJ-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CCCC3 104281545 PQOFCACDJUIWCA-QABPJWGKSA-N 256.301 2.235 50 40 CEGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Cl)CC1=O 45953077 MZFZEZBNWHAABS-ZETCQYMHSA-N 288.130 2.467 50 40 CEGB Cc1cc(C)c(Nc2nc(CC(=O)NN)cs2)c(C)c1 223452053 NSFSHAKVLBKMEV-UHFFFAOYSA-N 290.392 2.344 50 40 CEGB O=C(NN=C1CCCCC1)[C@@H]1COc2ccccc2O1 5604801 UWPGVVUTWGRIAH-AWEZNQCLSA-N 274.320 2.263 50 40 CEGB N#C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1 1581913 UBZBDWVLSQRBNU-QGOAFFKASA-N 284.706 2.393 50 40 CEGB C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1ccc(O)cc1 4908993 FKPHWXFWWXYUGI-GRSHGNNSSA-N 294.314 2.423 50 40 CEGB O=C(NNc1ncnc2ccccc12)c1ccccc1O 79639 JQURXMRROAQOLB-UHFFFAOYSA-N 280.287 2.092 50 40 CEGB CC[C@@](Br)(C(=O)O)[C@H](C)Br 1670937 BJIXPDUJLORJJE-NJGYIYPDSA-N 273.952 2.398 50 40 CEGB N#CCC(=O)N/N=C/c1cccc(C(F)(F)F)c1 59197407 QGTBKJPDJNKGOI-FRKPEAEDSA-N 255.199 2.069 50 40 CEGB CC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 8555217 MRPBFZQMTRFISG-UHFFFAOYSA-N 284.315 2.047 50 40 CEGB CC(/C=C/c1ccccc1)=N/NC(=O)c1ccn(C)n1 4178060 RTZLQIXSSKGXDJ-YCBPJFTGSA-N 268.320 2.239 50 40 CEGB N#CC1=C(N)Oc2c(nc(=S)[nH]c2O)[C@H]1c1ccccc1 5072971 WWUSNJYSTATVFR-VIFPVBQESA-N 298.327 2.063 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C)c1 5271756 VBUYFUKAVNFFSZ-UHFFFAOYSA-N 293.326 2.250 50 40 CEGB COc1cccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1O 408979882 SVQCDSZQZXRWNA-MDWZMJQESA-N 297.314 2.462 50 40 CEGB CCOc1ccc(-n2c(C)cc(C(=O)NN)c2C)cc1 223710810 OMTWHWWNSJLVPK-UHFFFAOYSA-N 273.336 2.096 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccccc1F 96517808 TZLCFWMQHJWATH-SNVBAGLBSA-N 264.705 2.008 50 40 CEGB NC(=O)N/N=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1 5772266 NSMPDPZACRVIAP-DTQAZKPQSA-N 284.275 2.016 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2ccco2)cc1C 59452 FGBORMKCDXBVNF-CXUHLZMHSA-N 272.304 2.426 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 573911 POQTZZUYHYIQMI-RQZCQDPDSA-N 271.251 2.449 50 40 CEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc[nH]2)c1 509045 HQDSCFULXHAOBW-RQZCQDPDSA-N 271.320 2.161 50 40 CEGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1cccc([N+](=O)[O-])c1 5671403 XUJMXQCCVQUKKK-XZEJSEMASA-N 271.276 2.277 50 40 CEGB CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccco2)cc1 15938834 MXCURHGEWNXHQZ-LICLKQGHSA-N 285.303 2.392 50 40 CEGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccco2)cc1 576779 OGGIDNFZLOOKHE-OQLLNIDSSA-N 271.276 2.002 50 40 CEGB CC1(C)NC(=O)C(C#N)=C(S)N1c1ccccc1 94008 FVQMTKZETFZPBV-UHFFFAOYSA-N 259.334 2.024 50 40 CEGB O=C(CCl)N(Cc1cccs1)C[C@@H]1CCCO1 32120797 SCYFJRORPHZXBT-JTQLQIEISA-N 273.785 2.495 50 40 CEGB O=C(Cl)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 11920001 YGXIEGGMJPGGPB-QMMMGPOBSA-N 293.797 2.057 50 40 CEGB O=C(N/N=C\c1c[nH]nc1-c1ccccc1)c1cccnc1 20436880 MJHVHFOTXVASDS-ODLFYWEKSA-N 291.314 2.236 50 40 CEGB Cc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c(C)c1 11297823 AUUZNUMXYYIDKY-MDWZMJQESA-N 294.362 2.201 50 40 CEGB O=C(NNC(=O)C1CCCCC1)c1ccccc1F 7406565 KFUDZEUCYRQJGB-UHFFFAOYSA-N 264.300 2.167 50 40 CEGB CCOc1cccc(C(=O)NNc2ncc(Cl)cn2)c1 72427690 DYQIPKRKFMOSPQ-UHFFFAOYSA-N 292.726 2.286 50 40 CEGB C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc(O)cc1O 409361688 HUGFBIVSXKDOAG-LDADJPATSA-N 298.342 2.489 50 40 CEGB Cc1ccc(C)c(C(=O)NNC(=O)c2ccoc2C)c1 5273140 NKBUKEZWNMNILT-UHFFFAOYSA-N 272.304 2.280 50 40 CEGB CSc1ncc(C(=O)NNc2ccccc2C)cn1 6208014 UKVRDPQXQNVKDS-UHFFFAOYSA-N 274.349 2.264 50 40 CEGB COc1ccc(C)cc1C[C@@H](Br)C(=O)O 107843475 JFZNOVMBKMXOIS-SECBINFHSA-N 273.126 2.394 50 40 CEGB COc1cccc(NNC(=O)Cc2ccccc2)c1 3124433 TXRIJZKNNLJQMH-UHFFFAOYSA-N 256.305 2.381 50 40 CEGB O=C(NNC(=O)C1CCC1)c1ccccc1Br 8204658 CWRKYTYUDGLCMQ-UHFFFAOYSA-N 297.152 2.010 50 40 CEGB O=C(CBr)c1ccc(N2CCCC2=O)cc1 4218328 XKILSOKYMDEVDN-UHFFFAOYSA-N 282.137 2.391 50 40 CEGB in-vitro C/C=C/C=C/C(=O)NNC(=O)c1cc2c(s1)CCC2 15938841 FIMJMMPJASMLKN-CRBCFSCISA-N 276.361 2.130 50 40 CEGB CC1(C)CN1P(=O)(Nc1ncccn1)N1CC1(C)C 73334938 FVCNRTJRLGEWKB-UHFFFAOYSA-N 281.300 2.185 50 40 CEGB CC(C)[C@@]12N=C(O)[C@@](C#N)(C(C#N)=C(Cl)N1)C2(C)C 66088009 JTFVZJMZOXYRIN-OLZOCXBDSA-N 278.743 2.422 50 40 CEGB O=C(OC[C@H](Br)C(F)(F)F)C(F)F 1083809838 QUBSQVVLEJFUOK-REOHCLBHSA-N 270.979 2.121 50 40 CEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@H]2C1 13471584 VAQRVCBBEULQPJ-LSDHHAIUSA-N 295.390 2.064 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1)c1ccco1 4587698 YMIADCSBYSLTOB-RVDMUPIBSA-N 258.277 2.199 50 40 CEGB CSCC(=O)NNC(=O)c1cc2c(s1)CCCCC2 41593643 FZBYAHASSRCDFV-UHFFFAOYSA-N 298.433 2.141 50 40 CEGB COc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1F 17398748 UYSHTYNWAOGDAA-UHFFFAOYSA-N 284.287 2.004 50 40 CEGB CCCCCCC[C@H]1C[C@@H](/C(C)=N/NC(N)=O)OC1=O 8686370 OZPFGYAUILEWCF-ATARQRRYSA-N 283.372 2.323 50 40 CEGB CS(=O)(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1 96930389 YMVXGLKRSXGGDW-POHAHGRESA-N 291.250 2.494 50 40 CEGB N#C/C(=C/c1ccccn1)C(=O)NCCc1ccccc1 40889441 IJXXKENMUBNAPQ-QINSGFPZSA-N 277.327 2.347 50 40 CEGB CC/C(=N\NC(=O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 43970641 VUBPZUCVOUPQIV-MLJWKTOOSA-N 291.307 2.004 50 40 CEGB NNC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 335856 VTEHHWYPWKSFND-UHFFFAOYSA-N 281.315 2.350 50 40 CEGB COc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1 260112 IHYRVVSGUIXMOG-GZTJUZNOSA-N 284.315 2.224 50 40 CEGB COc1ccc(CN(C)C(=O)[C@@H](C)Cl)cc1OC 36962971 MWTSJKVLXYMPIV-SECBINFHSA-N 271.744 2.290 50 40 CEGB in-vitro CC(C)OC(=O)[C@H](Cl)[C@@H](Cl)C(=O)OC(C)C 1683370 VYKYVJZVYXYSET-HTQZYQBOSA-N 271.140 2.104 50 40 CEGB CCO[C@H]1OCC[C@@H](Br)[C@H]1Br 4409265 RURXZTDHPIFRJF-QYNIQEEDSA-N 287.979 2.296 50 40 CEGB CC(=O)NNC(=O)c1cc2c3ccccc3n(C)c2s1 1386897 CXHTWXWHAZQHTD-UHFFFAOYSA-N 287.344 2.174 50 40 CEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)cc1 408803250 MYLPXLRAHZTKNR-LUHPIMIVSA-N 286.331 2.434 50 40 CEGB CCn1cccc1/C=N/NC(=O)c1ccccc1OC 408931661 OPOJKQICAHFVNU-LFIBNONCSA-N 271.320 2.281 50 40 CEGB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Cl)c1 40174341 BFWLBTXCPRYATC-UHFFFAOYSA-N 275.757 2.142 50 40 CEGB Cc1cccc2c1N([C@@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260616316 ILIOQWJSPABTIS-NEPJUHHUSA-N 275.396 2.466 50 40 CEGB CCc1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl 15423184 CUTZUPDGUZDABQ-JTQLQIEISA-N 282.771 2.321 50 40 CEGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1C 8334172 OOHPROYNCPRRAS-OQLLNIDSSA-N 275.377 2.396 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H]([C@@H]12)[C@H]1C2=C(CCCC2)[C@H]31 104281421 TWPKKKBHBOVJOC-PRSXHHODSA-N 256.301 2.235 50 40 CEGB Cn1nnc2cc(NC(=O)NNc3ccccc3)ccc21 409136495 UWAOAQHKYLUWBJ-UHFFFAOYSA-N 282.307 2.117 50 40 CEGB C[C@@H](Cl)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 5175358 UMYXHENUOWTRNZ-RNFRBKRXSA-N 253.685 2.216 50 40 CEGB COc1ccccc1C(=O)NNc1ncc(C)s1 4507361 OXKRBNHJDJDRFZ-UHFFFAOYSA-N 263.322 2.217 50 40 CEGB CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 98053059 VUJHOOJMJGIWKU-WLDGIZNKSA-N 292.379 2.284 50 40 CEGB COc1c(F)cc(C(=O)CBr)cc1[N+](=O)[O-] 575708918 UBAKCXRRJTUBSE-UHFFFAOYSA-N 292.060 2.320 50 40 CEGB O[C@@H](CCl)C[n+]1c2ccccc2nc2ccccc21 5605097 FVAKBCNAFFTXFP-NSHDSACASA-N 273.743 2.275 50 40 CEGB COc1cc(OC)c(C(=O)CCl)c(OC)c1OC 1684855 BUCRGFFAIFGTRZ-UHFFFAOYSA-N 274.700 2.143 50 40 CEGB O=C(CN1CCCCC1)N/N=C/c1cccc(Cl)c1 4714599 QVADOSOMRBGCTM-MHWRWJLKSA-N 279.771 2.276 50 40 CEGB O=C1Nc2ccccc2C2=N[C@@H](CBr)CN12 8729701 JSCJDSWNQUYDRU-ZETCQYMHSA-N 280.125 2.058 50 40 CEGB C[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@]13C)[C@@H]2I 103859448 MCUBUFTVKLBTBK-DLQLMRGSSA-N 292.116 2.008 50 40 CEGB N#CC(C#N)=CNCc1ccc(N2CCSCC2)cc1 48629489 NEDJOGMMDPEROD-UHFFFAOYSA-N 284.388 2.260 50 40 CEGB CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)O 48638734 HBNGZMCSFTXRIF-QPJJXVBHSA-N 253.689 2.188 50 40 CEGB COc1ccc(NC(=O)CCCl)c([N+](=O)[O-])c1 5744189 CPIGDNZKKCTNJC-UHFFFAOYSA-N 258.661 2.171 50 40 CEGB O=C(NNC(=O)c1ccc(F)cc1Cl)c1ccco1 17256610 NMKNCQYKOWQOQB-UHFFFAOYSA-N 282.658 2.147 50 40 CEGB CCC[C@@H](Br)C(=O)Nc1cc(C)on1 9646778 PQFMOZKUOJDYOS-SSDOTTSWSA-N 261.119 2.485 50 40 CEGB NNC(=O)c1ccc(OCc2ccccc2F)cc1 226318573 CBERNZULGHMBCI-UHFFFAOYSA-N 260.268 2.008 50 40 CEGB CC(C)(C)OC(=O)NC1CCC(NC(=O)CCl)CC1 83318420 JVQWVCLDFYLNBX-UHFFFAOYSA-N 290.791 2.177 50 40 CEGB COc1ccccc1/C=N/NC(=O)[C@H](C#N)c1ccccc1 8169069 SBVYJIXVFNRXBN-IYSPOMMRSA-N 293.326 2.453 50 40 CEGB CN(C)[C@H]1CC[C@H](N(C(=O)CCl)C2CC2)CC1 100178334 VEKGSHPKANHZEL-PHIMTYICSA-N 258.793 2.089 50 40 CEGB Cc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1C 26422940 NYQRJPLHIVKLPN-JTQLQIEISA-N 251.713 2.422 50 40 CEGB CCc1ccc(C(=O)NNC(=O)[C@H]2CC=CCC2)cc1 12737341 VCLUSQYRZOISRB-ZDUSSCGKSA-N 272.348 2.366 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)c1ccc(N(C)C)cc1 8779670 BANQZKUKKSHLLU-UHFFFAOYSA-N 297.358 2.136 50 40 CEGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)Cc1ccccc1 5714520 IWKRYVONFCDWFJ-VMOJBDSFSA-N 290.363 2.311 50 40 CEGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)c(O)c2)cc1 409361480 HKJGFSANLVSNJI-YVLHZVERSA-N 284.315 2.099 50 40 CEGB CC(=O)Nc1ccc2c(CCl)cc(=O)oc2c1 3334972 MKZQSJKIOFTYIB-UHFFFAOYSA-N 251.669 2.490 50 40 CEGB biogenic O=C(N/N=C\c1cccc(Cl)c1)c1ccccn1 33089265 HZYZGOVNWYUOJG-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB COc1ccc(Cl)cc1/C=C/C=N\NC(N)=O 16920220 QCFBGLUTGZSXJT-VNNOTUCTSA-N 253.689 2.016 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101187935 BJDCWCLMFKKGEE-YOBRWUOSSA-N 284.352 2.187 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 1393160 LAHMJYOWCLTTGV-JTQLQIEISA-N 268.744 2.089 50 40 CEGB in-vitro CC(C)(C)C(=O)/C=C1\Nc2cc([N+](=O)[O-])ccc2OC1=O 100549806 DTDLMDFFEONWAO-YFHOEESVSA-N 290.275 2.425 50 40 CEGB O=C(N/N=C/c1ccc(C(=O)O)cc1)NC1CCCCC1 5560730 CKXCPUOVFUIHJM-MHWRWJLKSA-N 289.335 2.351 50 40 CEGB CCc1cc(C(=O)NNC(=O)c2ccc[nH]2)sc1C 9949777 RMSOFXQMMYNPQR-UHFFFAOYSA-N 277.349 2.022 50 40 CEGB N#CC(=C=N)/C(C#N)=C(\C(=O)c1ccccc1)[n+]1ccccc1 409415799 SUKQCWJITGOEDN-WUKNDPDISA-N 299.313 2.290 50 40 CEGB CC(C)Oc1ccc(CNC(=O)CBr)cc1 35605510 AIONADUCJPOYDU-UHFFFAOYSA-N 286.169 2.485 50 40 CEGB CCOC(=O)/C(C#N)=C(\C)c1ccc(O)c(OC)c1 1612463 DGMQBLLKVDZUDE-PKNBQFBNSA-N 261.277 2.261 50 40 CEGB O=C(Cc1ccccc1)NNC(=S)NC1CCCCC1 2568447 LCPBOXBOQWODGM-UHFFFAOYSA-N 291.420 2.057 50 40 CEGB Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccco2)o1 22356176 FTKJZFPGUAIFLP-LZYBPNLTSA-N 284.275 2.335 50 40 CEGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 59515529 UEOPCPHBDLJWNX-LICLKQGHSA-N 299.330 2.492 50 40 CEGB COc1ccc(CC(=O)CBr)cc1OC 83191896 FIHWNTICOSYHTK-UHFFFAOYSA-N 273.126 2.210 50 40 CEGB CCOC(=O)/C=C1\CCCCCN1C(=O)CCl 96528472 NLGLTZIJQFPDCA-CSKARUKUSA-N 259.733 2.075 50 40 CEGB CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)O)cc1 16188490 HZKMCPPWUHADQX-FMIVXFBMSA-N 255.277 2.028 50 40 CEGB C[N+](C)(C)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 1847147 BZXRNTVNPSZQTQ-VIZOYTHASA-O 289.186 2.150 50 40 CEGB CCC(=O)c1cc2c(cc1NC(=O)CCl)OCCO2 4616088 IGRCSJVHBAICQE-UHFFFAOYSA-N 283.711 2.228 50 40 CEGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1 408724089 DYPXYLXHKOBJKW-UHFFFAOYSA-N 292.342 2.451 50 40 CEGB N#C/C=C1\SCC(=O)N1C[C@H](O)c1ccc(Cl)cc1 16044230 MZPPDKVYVSHUEP-LEBPBNDJSA-N 294.763 2.314 50 40 CEGB Cc1[nH]nc2c1[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 809424 YPWOSYCQBUWZKO-GFCCVEGCSA-N 288.257 2.215 50 40 CEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccco1 2626821 ZNDFXJWSXCYJTD-UHFFFAOYSA-N 294.694 2.016 50 40 CEGB COC(=O)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1 54841906 CNNFNMRGNMJQKW-UVTDQMKNSA-N 298.342 2.439 50 40 CEGB O=C(N/N=C/c1ccc(OC(F)F)cc1)C1CC1 3210761 OPCXSMHCTVBUAC-VIZOYTHASA-N 254.236 2.148 50 40 CEGB O=C(CCl)NCc1ccc(N2CCCC2)cc1 57214334 LWHVZPRCUHFPJL-UHFFFAOYSA-N 252.745 2.142 50 40 CEGB in-vitro O=C(N/N=C\c1ccccc1F)c1[nH]nc2c1CCCC2 1745513 AVQFAEHFNVHAIO-MFOYZWKCSA-N 286.310 2.192 50 40 CEGB CN(NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 10737543 OJCTZDQAUSXLPC-UHFFFAOYSA-N 270.288 2.197 50 40 CEGB N#CC(C#N)=C(N)[C@@H](C#N)Cc1ccc(Cl)cc1 6315568 QZKCTRLNRWTVIW-SNVBAGLBSA-N 256.696 2.282 50 40 CEGB COc1cc(C(=O)N/N=C(\C)C2CC2)cc(OC)c1OC 4567799 ACGZPFJQHIUOKL-CXUHLZMHSA-N 292.335 2.228 50 40 CEGB O=C(CSc1ccc(Cl)cc1)NNC(=O)C1CCC1 15901712 CZQXOACSJCOZCO-UHFFFAOYSA-N 298.795 2.380 50 40 CEGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccncc2)cc1 408820743 YJYXNKJZLQTPKQ-GDNBJRDFSA-N 293.326 2.314 50 40 CEGB CC[C@@H]1CN1P(=O)(N1CCCC1)N1C[C@H]1CC 299848922 PBYOMSQTJQONJJ-NLJLKESJSA-N 257.318 2.379 50 40 CEGB O=C(/C=C/c1ccccc1)N/N=C/c1ccncc1 1739192 MUBTWLFFAHUJTJ-FIVAMUJUSA-N 251.289 2.245 50 40 CEGB C/C(=N\NC(=O)c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 4837367 SXOHZAJMTIVTNH-MHWRWJLKSA-N 299.286 2.454 50 40 CEGB CC(C)C(O)(C(=O)NNc1ccccc1)C(C)C 251369 HPTRVGIPXRGZJM-UHFFFAOYSA-N 250.342 2.173 50 40 CEGB CCC[C@H](Br)[C@H](Br)C(=O)O 1699448 FGZJHRRUZOQKDJ-WHFBIAKZSA-N 273.952 2.398 50 40 CEGB C[C@H](CCOC(=O)[C@@H](C)Cl)OC(=O)[C@@H](C)Cl 4409645 ZFYTYLWHTNILNP-BWZBUEFSSA-N 271.140 2.106 50 40 CEGB CCCCCC(/C=N/NC(=O)C(N)=O)=C\c1ccccc1 7737286 AEAVEFSISKIPDO-JOEZZVDMSA-N 287.363 2.238 50 40 CEGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(N)=S 2863382 PKYOOERRQQOZEN-LREOWRDNSA-N 266.709 2.262 50 40 CEGB COc1ccccc1/C(C)=N/NC(=O)c1ccc(N)cc1 6592482 IWDYSSLFVGAQBC-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB CCOc1ccc(/C=N\NC(=O)c2ccc(C)nc2)c(O)c1 4600562 ARSQZCQCOINDCF-ZDLGFXPLSA-N 299.330 2.258 50 40 CEGB CCCC(=O)NNc1nnc(NC2CCCCC2)o1 5501730 PMNNDRVFTKSOLB-UHFFFAOYSA-N 267.333 2.057 50 40 CEGB CCCOc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1 16409658 UFWCLZDVBXKLDE-SDNWHVSQSA-N 288.347 2.145 50 40 CEGB O=C(NCCBr)N[C@@H]1C[C@H]1c1ccccc1 1614851 HUJMTDIXWDYIIU-WDEREUQCSA-N 283.169 2.237 50 40 CEGB Cc1c(/C=C(\C#N)C(=O)Nc2ccccn2)cc(C#N)n1C 33039533 LSJLVJJUHPPZPC-NTUHNPAUSA-N 291.314 2.146 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OC(C)C 59333795 KOFTVWGGRWSHEZ-JYRVWZFOSA-N 288.347 2.478 50 40 CEGB CN1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1CCCC2=O 409124851 KZOIXMXTNOJFIW-HNNXBMFYSA-N 279.343 2.417 50 40 CEGB O=C1CC(c2ccc(OCC3CC3)cc2)CC(=O)O1 217801772 CZVDZVONEMNPGO-UHFFFAOYSA-N 260.289 2.423 50 40 CEGB CCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC 33350896 BKIAXQADXFENOJ-WQRHYEAKSA-N 299.330 2.253 50 40 CEGB CS(=O)(=O)[C@H](Cl)C(=O)c1ccc(Cl)cc1 96517757 QSEDUGZJOGFBHH-VIFPVBQESA-N 267.133 2.132 50 40 CEGB C=CCn1cc(/C=N/NC(=O)CC#N)c2ccccc21 573092 CHCRMZPFLGSEMT-LICLKQGHSA-N 266.304 2.191 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccccc2)sc(N)c1C#N 6184395 RYZUVXBWEGCMQY-CAOOACKPSA-N 284.344 2.274 50 40 CEGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccccn1 5381950 ZSZLEMRWGJFNOD-LICLKQGHSA-N 257.268 2.375 50 40 CEGB CC(C)CCc1ccc(C(=O)NN)n1CC(C)C 226024775 CEZUDKUVXBEBKC-UHFFFAOYSA-N 251.374 2.336 50 40 CEGB CC(C)OC(=O)O[C@H](C)I 21992477 XZVBIIRIWFZJOE-RXMQYKEDSA-N 258.055 2.329 50 40 CEGB in-vitro O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccccc1F 20031203 AXLOSGVDVKDXKA-UHFFFAOYSA-N 291.242 2.278 50 40 CEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1 3152840 RJHUSYQDLWCNEW-MHWRWJLKSA-N 299.286 2.124 50 40 CEGB COc1ccc(CSCC(=O)NN=C(C)C)cc1 408774554 PHSJGUALZWKAQA-UHFFFAOYSA-N 266.366 2.440 50 40 CEGB Cn1cccc1-c1cc(C(=O)N/N=C/c2ccccc2)[nH]n1 337077 PBOVGPLWFKDANW-GZTJUZNOSA-N 293.330 2.179 50 40 CEGB CCCC/C(C)=N\NC(=O)C(=O)Nc1cccc(OC)c1 59515774 XTBLQEGLGQJVHV-BOPFTXTBSA-N 291.351 2.316 50 40 CEGB CC(C)(C)c1ccc(C(=O)NC(=O)CCl)cc1 3887666 ALBWKNRMLYBAKH-UHFFFAOYSA-N 253.729 2.479 50 40 CEGB CCNC(=S)NNC(=O)c1ccc(Cl)cc1Cl 4700081 QFWFOCHZXNVUTI-UHFFFAOYSA-N 292.191 2.122 50 40 CEGB Cc1nc2c(C#N)cnn2c(Cl)c1CCCl 5677906 JBBDCFBDYGDSDI-UHFFFAOYSA-N 255.108 2.344 50 40 CEGB CO/N=C(/C(=O)OC)c1ccccc1CBr 32594111 LDPXOYHMGOQPIV-JLHYYAGUSA-N 286.125 2.105 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccs1 259654 ZUPWGVRDMIWQIZ-VGOFMYFVSA-N 274.301 2.241 50 40 CEGB O=C(N/N=C\C=C\c1ccco1)[C@H]1COc2ccccc2O1 13563655 HJBUGJXLXOMEPO-CJNZPRRISA-N 298.298 2.235 50 40 CEGB CCN1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21 101644265 DVTHMWBBSUJUPU-OBGWFSINSA-N 293.326 2.187 50 40 CEGB O=C(CCl)Nc1cccc(C(=O)N2CCSCC2)c1 47843876 RHBIDVWBWSYYGD-UHFFFAOYSA-N 298.795 2.053 50 40 CEGB in-vitro C[C@H]1CN1[P@](=O)(Nc1ccccn1)N1C[C@H]1C 301054463 RKAUOXVGNVHSRZ-UONJKMPISA-N 252.258 2.010 50 40 CEGB CCCNC(=O)/C(C#N)=C/c1cnc2c(C)cccn12 78870091 IKOYKGAONGJLFS-XYOKQWHBSA-N 268.320 2.076 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1 33329338 MPDPQKQMPYVGEV-YBEGLDIGSA-N 254.289 2.465 50 40 CEGB O=C(NNC(=O)c1cccc2ccccc12)c1ccncc1 3098078 ORZYROPAIRITIO-UHFFFAOYSA-N 291.310 2.310 50 40 CEGB COc1cc2c(cc1OC)[C@@H](NNC(C)=O)CCCC2 1699160 HEBBCOJBGOQGAR-ZDUSSCGKSA-N 278.352 2.112 50 40 CEGB C/C(=N\NC(=O)CNc1ccccc1)c1ccc(O)cc1 57416149 SIVUBCLMOUDSAK-LDADJPATSA-N 283.331 2.345 50 40 CEGB Cc1ccc(C)c(N2CCN(C(=O)CCl)CC2)c1 8410807 PLBPWCXEWJXNLF-UHFFFAOYSA-N 266.772 2.191 50 40 CEGB CCc1n[nH]c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 4631560 ZXYDRHXBYYJMCT-GFCCVEGCSA-N 284.294 2.329 50 40 CEGB O=C(CBr)c1cccnc1Br 113335848 RGMLBGVVPKTTNG-UHFFFAOYSA-N 278.931 2.422 50 40 CEGB O=C(N/N=C\c1ccccc1)c1ccc2c(c1)OCO2 30702590 HRIRAUIMKLPPRU-SXGWCWSVSA-N 268.272 2.179 50 40 CEGB CCO[C@@H](C)OCCCI 5839409 LDBYWEAZJUSHNW-SSDOTTSWSA-N 258.099 2.211 50 40 CEGB NNC(=O)Nc1c(O)cc(Cl)c(Cl)c1Cl 5003734 SKKIAIQKSMVSIF-UHFFFAOYSA-N 270.503 2.348 50 40 CEGB CCOC(=O)/C(C#N)=C1/SC=C(N)N1c1ccccc1 1582445 MHWCDGSRDAGZHU-ACCUITESSA-N 287.344 2.296 50 40 CEGB ClCc1noc([C@@H]2COc3ccccc3O2)n1 20432741 ICQQDAVSNAADFQ-VIFPVBQESA-N 252.657 2.321 50 40 CEGB in-vitro CN(C)C(=O)/C(C#N)=C\c1ccc(Br)cc1 59333460 GNHBOGACRMWKAF-YFHOEESVSA-N 279.137 2.444 50 40 CEGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1C 17087076 GJIXLMUKTFGENW-RQZCQDPDSA-N 269.304 2.163 50 40 CEGB CCOC(=O)NNC(=O)c1cc(C)c(CC)s1 8294107 UXXPSGZRNIFMJN-UHFFFAOYSA-N 256.327 2.010 50 40 CEGB CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OC 36137536 DFNQEYYIYPLPOA-WQRHYEAKSA-N 299.330 2.253 50 40 CEGB O=C(CCl)N(C[C@@H]1COc2ccccc2O1)C1CC1 79421442 XOULMTAOAJZLQM-LLVKDONJSA-N 281.739 2.056 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1cnc2ccccc2n1 16137144 NEWRDSLKWALODT-RGVLZGJSSA-N 291.314 2.179 50 40 CEGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1ccncc1 5381278 VOCFJOPEKFGEBI-PDGQHHTCSA-N 282.347 2.302 50 40 CEGB Cc1c(O)cccc1C(=O)NNC1=CC(=O)CC(C)(C)C1 1093677 ZGDXWBDAJWQARN-UHFFFAOYSA-N 288.347 2.208 50 40 CEGB CC(C)(C)NC(=S)NNC(=O)c1ccccc1Cl 8855220 WBWZXEJWTHZRLM-UHFFFAOYSA-N 285.800 2.247 50 40 CEGB N#CC(C#N)=C1c2ccccc2-c2nc(C#N)c(C#N)nc21 548301 VIQMVMWFDHETIL-UHFFFAOYSA-N 280.250 2.049 50 40 CEGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 509479 IROARFBYJUZQHV-XYOKQWHBSA-N 296.282 2.125 50 40 CEGB O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)C1[C@H]2CCCC[C@H]12 100505419 KTDSHTNRSBGIEE-XQLPTFJDSA-N 298.386 2.374 50 40 CEGB CC(C)CNC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 59435578 ZRBHDDYBCASSCV-UHFFFAOYSA-N 295.427 2.467 50 40 CEGB O=C(NNC(=O)C1CC1)c1cc2c(F)cccc2s1 26967747 LNWOHWXVGYIDCP-UHFFFAOYSA-N 278.308 2.211 50 40 CEGB Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 4062865 BMIWDGOFMMIACI-VGOFMYFVSA-N 290.304 2.002 50 40 CEGB N#C/C(=C/c1cccnc1)C(=O)Nc1ccc(C(=O)O)cc1 6445061 WOWBKVXIHISDAT-JYRVWZFOSA-N 293.282 2.325 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)COc2ccccc2)cc1 31729788 BLNHXABCCLZUFM-PDGQHHTCSA-N 297.358 2.282 50 40 CEGB CC(C)Cn1c(Cc2ccccc2)ccc1C(=O)NN 226027543 KMDAQMPXDOHMAX-UHFFFAOYSA-N 271.364 2.338 50 40 CEGB O=C1N[C@H](Cc2cc(Cl)ccc2Cl)C(=O)O1 1772714996 NZWWUYNIHKXRLY-MRVPVSSYSA-N 260.076 2.171 50 40 CEGB CS(=O)(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F 14018418 WVJJZNKORSHGCZ-RMKNXTFCSA-N 291.250 2.494 50 40 CEGB O=C(NNC(=O)c1ccc(Cl)s1)c1ccc(O)cc1 9336424 OWUFGFDURNCECE-UHFFFAOYSA-N 296.735 2.182 50 40 CEGB CC(=O)Nc1ccc(OCCCl)cc1[N+](=O)[O-] 34429323 JSFDICHNIQWCSE-UHFFFAOYSA-N 258.661 2.171 50 40 CEGB CC1=C[C@@]2(Nc3cc(C)cc(C)c3O2)C(C#N)=C(N)O1 40545164 PGVGUAIUIZFCTD-HNNXBMFYSA-N 269.304 2.432 50 40 CEGB O=C(Cl)c1cccc(S(=O)(=O)N2CCCCC2)c1 11848453 FLMOAOWNOBGTSM-UHFFFAOYSA-N 287.768 2.240 50 40 CEGB O=C(CSc1ccccn1)N/N=C/c1cccs1 195928 DZHUUILHMRRXIV-RIYZIHGNSA-N 277.374 2.386 50 40 CEGB COc1ccc(C(=O)CBr)c(OC)c1OC 2576081 WUDJYUXZDGECRF-UHFFFAOYSA-N 289.125 2.290 50 40 CEGB Cc1c(CC(=O)NN)c2ccccc2n1-c1ccccc1 13445890 LLWQSSDENSRJRH-UHFFFAOYSA-N 279.343 2.471 50 40 CEGB O=C(CCCSc1ccccc1)NNC(=O)C1CC1 15794278 OFDHGTFFZNQMJR-UHFFFAOYSA-N 278.377 2.116 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N)cc2)cc1 5249899 YQOOCKFFESYQPE-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB CSC1=NC=C(C#N)C2=N[C@@H](c3cccs3)NN12 5662858 LAVWIPWPVXSYGR-SECBINFHSA-N 275.362 2.105 50 40 CEGB CC(C)c1nnc(NC(=O)C(Cl)Cl)s1 3183467 LTNLFALAMVRQAG-UHFFFAOYSA-N 254.142 2.404 50 40 CEGB NC(=O)N/N=C(\Cc1ccccc1)c1ccccc1 4683486 IHLCETMHPQTTLB-SAPNQHFASA-N 253.305 2.302 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccccc2)o1 409003222 YQGUFLBNSZPUPL-LFIBNONCSA-N 271.320 2.038 50 40 CEGB Cc1c(N2C[C@H](C(=O)Cl)CC2=O)cccc1[N+](=O)[O-] 45953599 SPQBANBCXAPBBX-MRVPVSSYSA-N 282.683 2.022 50 40 CEGB CC(C)(C)c1ccc(/C(N)=N/OC(=O)CCl)cc1 4280675 WKLQNAXOYSQAIM-UHFFFAOYSA-N 268.744 2.386 50 40 CEGB COc1ccc(C(=O)NN)cc1OCc1ccccc1F 226318871 PPWFEOZKEVYDNE-UHFFFAOYSA-N 290.294 2.017 50 40 CEGB COC(=O)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1726932 IEEQWVANVDVFFN-MRVPVSSYSA-N 274.070 2.204 50 40 CEGB Cc1cc(O)cc(O)c1/C=N/NC(=O)OC(C)(C)C 507459 GPMXYJVSBYCEDW-VGOFMYFVSA-N 266.297 2.265 50 40 CEGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccc2ccccc2n1 12740267 KXLZTXVQXALPAD-CYBMUJFWSA-N 295.342 2.352 50 40 CEGB O=C(Cc1ccccc1)NNc1ncnc2ccccc12 4387670 BCSUJJVRCONDHZ-UHFFFAOYSA-N 278.315 2.316 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 6683588 KKLSEAGCANNYGM-LICLKQGHSA-N 282.299 2.457 50 40 CEGB COc1cc(CC(=O)CCl)cc(OC)c1OC 47219202 FRPAMSASXIRWJK-UHFFFAOYSA-N 258.701 2.063 50 40 CEGB O=C(/C=C/c1ccccc1)NNC(=O)Cc1cccs1 378991 RORQPKUPBZYLGO-CMDGGOBGSA-N 286.356 2.151 50 40 CEGB CCCCSCC(=O)OCCOCCOCCCl 5420810 WYVYCBLORVFXFX-UHFFFAOYSA-N 298.832 2.335 50 40 CEGB CCc1ccc(OCc2cccc(C(=O)NN)c2)cc1 374000 HCWVZXLPIBITTG-UHFFFAOYSA-N 270.332 2.432 50 40 CEGB O=C(C(Cl)Cl)N1CCCc2cc(O)ccc21 2569981 OMZBOXOCCLZODD-UHFFFAOYSA-N 260.120 2.475 50 40 CEGB in-vitro C[C@H](Cl)C(=O)OCC[C@@H](C)OC(=O)[C@@H](C)Cl 4409670 ZFYTYLWHTNILNP-GJMOJQLCSA-N 271.140 2.106 50 40 CEGB C[C@@]12CC[C@H](/C(=N/O)C1=O)[C@@]2(C)CBr 100747111 ZJBLURFKNIAZMR-UXLDAOIJSA-N 260.131 2.217 50 40 CEGB CCOC(=O)NN(C/C=C\Cl)C/C=C/Cl 8618928 LHKUBUXTEPQWEM-CIIODKQPSA-N 253.129 2.455 50 40 CEGB CCNC(=S)NNC(=O)c1csc(C(C)C)c1 8829080 IVVUXLXQVBICOI-UHFFFAOYSA-N 271.411 2.000 50 40 CEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1F 96298213 VWVDFFWYODKEDA-MAUPQMMJSA-N 288.322 2.336 50 40 CEGB COC(=O)c1c(CBr)cccc1OC 89157218 KJLOXBFOHKOSBO-UHFFFAOYSA-N 259.099 2.377 50 40 CEGB COc1cc(C(=O)CBr)ccc1[N+](=O)[O-] 40450089 FOWMRBOYINCKIN-UHFFFAOYSA-N 274.070 2.181 50 40 CEGB Cc1ccc(S(=O)(=O)n2ccc(C(=O)Cl)c2)cc1 95836269 GORPHWFBAOTRQS-UHFFFAOYSA-N 283.736 2.413 50 40 CEGB Cc1cccc2c1N([C@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260616320 ILIOQWJSPABTIS-VXGBXAGGSA-N 275.396 2.466 50 40 CEGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc[nH]3)ccc21 3525109 KRTKTNMJPYSHCU-VCHYOVAHSA-N 295.346 2.457 50 40 CEGB C[C@@H](CCOC(=O)CCCl)OC(=O)CCCl 1687341 ZMAOVTBJOHKIEE-QMMMGPOBSA-N 271.140 2.109 50 40 CEGB C=CCOC(=O)C1=C(C)NC(O)=C(C#N)[C@@H]1c1cccnc1 23379249 RCYHSEYQRYRQLL-AWEZNQCLSA-N 297.314 2.065 50 40 CEGB Cc1cc(/C=N\NC(=O)c2ccco2)cc(C)c1O 103837192 QEAKXZZFVPHIGE-NVNXTCNLSA-N 258.277 2.366 50 40 CEGB C/C(S)=N/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1 33920334 WVWANOLTASBUGK-WQLSENKSSA-N 280.374 2.482 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cccc(OCC#N)c1 48638328 DSQLYDPFZZLKNB-XYOKQWHBSA-N 256.261 2.059 50 40 CEGB COc1cc(C(=O)NN)ccc1OCc1ccc(C)cc1 226319764 SAVJMJWAOAJKCQ-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB ClCc1cncn1Cc1ccc2c(c1)OCO2 59979990 ZOWFILOGULVYBW-UHFFFAOYSA-N 250.685 2.399 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)N2COCC2(C)C)cc1 4110140 LUXHUXBAYGFUNG-MDWZMJQESA-N 286.331 2.197 50 40 CEGB NNC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 225253184 ZCAQDGXBRWFKMI-UHFFFAOYSA-N 286.722 2.487 50 40 CEGB COC(=O)[C@H](Br)Cc1ccc(F)cc1 20272482 FNDLRZYMJAWLGJ-SECBINFHSA-N 261.090 2.305 50 40 CEGB Cc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1 3475631 IUTVPYGSRJNXPM-VHWUNXFSSA-N 296.326 2.285 50 40 CEGB N#C/C(=C\Nc1ccc(O)cc1)C(=O)NCc1ccco1 131559 BGRNQWXEDQYENH-PKNBQFBNSA-N 283.287 2.121 50 40 CEGB CN(C)C[C@@H]1CCCC[C@@H]1OC(=O)C(Cl)Cl 3185360 YGKRJMHSTPSNRS-IUCAKERBSA-N 268.184 2.454 50 40 CEGB C[C@@H](Br)C(=O)n1c(=O)oc2ccccc21 499967 NZCLXHVUAXJXIR-ZCFIWIBFSA-N 270.082 2.018 50 40 CEGB O=C(N/N=C/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccn1 13564089 QOKCXZHCQURJMV-XOJMLFCESA-N 296.286 2.419 50 40 CEGB N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccnc1 16699602 SPBSTNSPMBZAJB-ZSOIEALJSA-N 281.290 2.444 50 40 CEGB Cc1cccc(C(=O)NNc2ncc(Cl)cn2)c1 72427693 INSIJQJRSURTCS-UHFFFAOYSA-N 262.700 2.195 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 31638358 BFCWNLIQDPWUQA-MFOYZWKCSA-N 282.299 2.488 50 40 CEGB CCOC(=O)N/N=C(/C)CCc1ccc2c(c1)OCO2 40161290 LVNUWOWXIPKGGU-GDNBJRDFSA-N 278.308 2.470 50 40 CEGB O=[N+]([O-])c1cnc(N(CCCl)CCCl)s1 5955722 ZOVABAGIQNPQRV-UHFFFAOYSA-N 270.141 2.335 50 40 CEGB Cc1nc2cc(C(=O)N/N=C/c3ccc(O)cc3)ccc2[nH]1 67661 JQYVQKCMANUWJQ-RQZCQDPDSA-N 294.314 2.341 50 40 CEGB CC/C(=N/NC(=O)c1ccncc1)c1ccc(O)cc1 554769 PWTCTMKXUZKZIJ-VKAVYKQESA-N 269.304 2.331 50 40 CEGB C=CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334252 PPGXBNTVNSVYRN-LCYFTJDESA-N 286.331 2.255 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccccn1 59138228 JANWGLORQCKRAH-GZTJUZNOSA-N 284.319 2.039 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)CNC2CCCCC2)c1 409381451 UHWWWEDVOHFJBB-VCHYOVAHSA-N 289.379 2.073 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1 5525880 PKGSCLAQBHJWNS-XYOKQWHBSA-N 296.282 2.298 50 40 CEGB N#C/C(=C/Nc1ccc(OC(F)(F)F)cc1)c1nn[nH]n1 6815744 PLMJLXBJYGSAJT-SREVYHEPSA-N 296.212 2.075 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cccn1-c1ccccc1 408853440 SJLAMJQMFQDPSN-QBFSEMIESA-N 265.316 2.472 50 40 CEGB CCN(C(=O)CCl)[C@@H]1CCN(Cc2ccccc2)C1 79393695 GWWWUINMIDAMDY-CQSZACIVSA-N 280.799 2.348 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc[nH]2)cc1C 408566024 CYBBHOGLNQQCLC-LICLKQGHSA-N 255.321 2.324 50 40 CEGB O=P(NC12CC3CC(CC(C3)C1)C2)(N1CC1)N1CC1 73370141 MXRAUZXJODDPPN-UHFFFAOYSA-N 281.340 2.284 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(C)cc1 96518945 LGTGUJPDWDJISU-GHMZBOCLSA-N 262.758 2.028 50 40 CEGB CCOc1ccccc1NC(=O)C(=O)NN=C(CC)CC 58885831 LGIGZDUHIDGGNB-UHFFFAOYSA-N 291.351 2.316 50 40 CEGB Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1 1012064 WBKKVKRUCJMVHX-UHFFFAOYSA-N 297.449 2.498 50 40 CEGB N#C/C(=C/c1cccnc1)C(=O)NCc1ccccc1 5741025 PPOZKKRPVCVLTC-DHDCSXOGSA-N 263.300 2.305 50 40 CEGB O=C(N/N=C1\C(O)=Nc2ccc(Cl)cc21)C1CC1 20823354 QZRJVAISQBISNQ-UHFFFAOYSA-N 263.684 2.172 50 40 CEGB C/C(=N/NC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 13736743 GNEVDSGKJWLQKK-ZROIWOOFSA-N 273.248 2.342 50 40 CEGB COc1cc(Cl)cc(/C=N/N(CCC#N)C(C)=O)c1O 2762568 PDCHNDDCXJNDGN-LZYBPNLTSA-N 295.726 2.150 50 40 CEGB CC1=C(C#N)[C@@](Nc2cccc(C)n2)(C(F)(F)F)C(=O)N1 4437124 FZGLVUJIGDXWJY-LBPRGKRZSA-N 296.252 2.030 50 40 CEGB COc1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1 585142 CSZTWEKYXUMJDW-UHFFFAOYSA-N 299.330 2.091 50 40 CEGB N#C/C1=C(/C#N)CC[C@@]2(C#N)[C@@H]3C=C[C@H](O3)[C@]2(C#N)CC1 104042219 LRINLJPBDITLDH-YUGKZPPGSA-N 276.299 2.261 50 40 CEGB CCOc1cc(OC)ccc1N/C=C(\C#N)C(=O)OC 100222559 WVWGSOZUPYKHOW-MDZDMXLPSA-N 276.292 2.086 50 40 CEGB COc1cc(-c2noc(CCl)n2)c(OC)c2c1OCO2 34929169 CIVFQTBJXGSVRA-UHFFFAOYSA-N 298.682 2.221 50 40 CEGB COC(=O)NNC(=O)Nc1ccc2oc(C3CC3)nc2c1 58075518 LQGBGEPYZBRJCK-UHFFFAOYSA-N 290.279 2.098 50 40 CEGB COC(=O)OC[C@H](Br)C(F)(F)F 1083809789 JKNLWKORPFMISW-VKHMYHEASA-N 250.998 2.095 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc([N+](=O)[O-])ccc1F 14796368 XLNLNUUTCPUNBQ-BQYQJAHWSA-N 279.227 2.116 50 40 CEGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(N)=O)cc21 208437137 VVGMUITXLMGWLV-RQZCQDPDSA-N 272.352 2.321 50 40 CEGB CCN(CC)c1ccc(SS(=O)(=O)O)cc1 1821619 BSCUBEPIPZPMGN-UHFFFAOYSA-N 261.368 2.428 50 40 CEGB Cc1cc(C)n(CC(=O)N/N=C/c2c[nH]c3ccccc23)n1 523871 KKAMARSUFGDYFU-GIJQJNRQSA-N 295.346 2.132 50 40 CEGB Cc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 12741023 UNFDZSFPHSNQRX-UHFFFAOYSA-N 295.295 2.073 50 40 CEGB COc1ccc([C@H]2CC(=O)NC(SC)=C2C#N)cc1 8995952 QUKCNUZTLLKGRG-LLVKDONJSA-N 274.345 2.397 50 40 CEGB COC(=O)c1sc(N=C=S)c(C(=O)OC)c1C 19737288 QAIHQRCRVSQBDA-UHFFFAOYSA-N 271.319 2.364 50 40 CEGB C[C@H](Br)CCON1C(=O)c2ccccc2C1=O 1668140 QNKWVMVEVRUKRO-QMMMGPOBSA-N 298.136 2.388 50 40 CEGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(C)c2)c1 146517 CXGWZWKDHIAEMA-UHFFFAOYSA-N 298.342 2.143 50 40 CEGB N#CCC(=O)N/N=C/[C@H]1CCC[C@H](N2CCCCC2)CC1 6947191 DMANREDEZLTRGP-KIHLJVTFSA-N 290.411 2.437 50 40 CEGB Cc1cc(C)nc(NNC(=O)C=C2CCCCC2)n1 65773957 GRMBMFPAXBBBDR-UHFFFAOYSA-N 260.341 2.427 50 40 CEGB Cc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)o1 409205547 PEQMSNYLMFHYDZ-NGWPFTMJSA-N 267.288 2.346 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(C)cc2)c(O)c1 409392541 QGVWPQKNJQMMGG-LICLKQGHSA-N 284.315 2.473 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(C)c1C 408774166 AMSNJHJCROXYDG-LICLKQGHSA-N 285.347 2.414 50 40 CEGB O=C(Cl)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 70462567 CYQZUJLOCPMKIW-UHFFFAOYSA-N 284.684 2.243 50 40 CEGB NNC(=O)c1cccc(OCc2cccc(F)c2)c1 226318596 DCYTYBAVOJGGCB-UHFFFAOYSA-N 260.268 2.008 50 40 CEGB O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1O 5576154 HADKJZRNEAFHSM-KSJZWGJFSA-N 256.305 2.320 50 40 CEGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccnc1)OCO3 78546976 WWOXMWAQIXAXDS-HNNXBMFYSA-N 293.282 2.028 50 40 CEGB CC(C)NC(=O)c1ccccc1NC(=O)CCl 12879659 GGCQBQWEQNVUPJ-UHFFFAOYSA-N 254.717 2.002 50 40 CEGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccccc1 408747165 JWFCEOURICYSIJ-WQLSENKSSA-N 297.270 2.411 50 40 CEGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1C 409237769 LPNUNFWJDMDELA-ZDLGFXPLSA-N 287.338 2.474 50 40 CEGB O=[N+]([O-])c1ccccc1OCc1nnc(CCl)o1 20135849 JCCSLOPKPRXWOH-UHFFFAOYSA-N 269.644 2.296 50 40 CEGB CCCCC(=O)N/N=C\c1cccc(OC)c1OC 31671980 SIALIYFUAQDIHE-GDNBJRDFSA-N 264.325 2.344 50 40 CEGB COc1cccc(-c2nc3cc(C(=O)NN)ccc3o2)c1 216793756 NLWWUAPYSYULNU-UHFFFAOYSA-N 283.287 2.107 50 40 CEGB Cc1cccc(C)c1-n1c(C)cc(C(=O)NN)c1C 223701328 FKDXHGWICBEDNG-UHFFFAOYSA-N 257.337 2.314 50 40 CEGB Cc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)s1 37056 RUPPTBHJZVPIQY-UHFFFAOYSA-N 285.328 2.143 50 40 CEGB CC[C@@H](C)/C(C)=N/NC(=O)[C@@H]1COc2ccccc2O1 5859527 CFYRRZXQPMFGEH-PRKYBFEBSA-N 276.336 2.365 50 40 CEGB CCOc1ccc([C@H]2C(C#N)=C(N)Nc3[nH]nc(C)c32)cc1 6380876 KTBQFRXTMVDGCG-AWEZNQCLSA-N 295.346 2.368 50 40 CEGB NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3193610 HQSJTRQBOPYOCV-UHFFFAOYSA-N 284.344 2.204 50 40 CEGB CCCCc1ccc(NC(=S)NNC(C)=O)cc1 6390533 VCZVNGNCRJFLCG-UHFFFAOYSA-N 265.382 2.367 50 40 CEGB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCl 83318426 KYVISGDNMLUVHY-UWVGGRQHSA-N 290.791 2.177 50 40 CEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)Cl)c1 5553446 CIZDPVHGLISRBR-UHFFFAOYSA-N 275.757 2.096 50 40 CEGB O=C1CC[C@@](CCCCl)(c2ccccc2)C(=O)N1 5604301 BXPLUIIRFOKTAJ-AWEZNQCLSA-N 265.740 2.380 50 40 CEGB CC(=O)Nc1ccccc1OCCBr 19420709 IUIFGHHLBGUINV-UHFFFAOYSA-N 258.115 2.419 50 40 CEGB N#C/C(=C/c1cccnc1)C(=O)NCCc1ccccc1 40889440 BKMDGTQUVWZVGA-WJDWOHSUSA-N 277.327 2.347 50 40 CEGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC=O 104791414 NSVOKISDGRMBFE-QGMBQPNBSA-N 287.241 2.156 50 40 CEGB N#C/C(=C1\CCCCN1)c1nnc2n1CCCCC2 100019010 AMBHGIWMAVNVCP-QXMHVHEDSA-N 257.341 2.013 50 40 CEGB O=C(CCl)Nc1cc2c(cc1Cl)OCCO2 12504994 QRGBGJCLKIHNHF-UHFFFAOYSA-N 262.092 2.289 50 40 CEGB O=C/C=C/C=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104153410 BKAXRHZDPTUAIN-HTNNJDHISA-N 263.209 2.184 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2\C[C@@H]3C=CC[C@H]23)cc1 20786022 RVQGIYQNRBVDBU-TUNFKSRMSA-N 269.348 2.475 50 40 CEGB CCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 71404756 CSJXUIHJPRVXPN-KOLCDFICSA-O 264.773 2.108 50 40 CEGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1 2726159 RNHGRSWCHXCLBZ-CYBMUJFWSA-N 298.342 2.224 50 40 CEGB CCCN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21 100180665 SWIRRWVVFIESHE-VKAVYKQESA-N 297.314 2.170 50 40 CEGB CCOC(=O)c1c(C)oc2nc(CCl)nc(N)c12 3338692 KOBQSKWIQCCKOX-UHFFFAOYSA-N 269.688 2.029 50 40 CEGB CC(C)NC(=O)/C(C#N)=C/c1csc([N+](=O)[O-])c1 48639064 LBZJYSMRPBANDV-YCRREMRBSA-N 265.294 2.088 50 40 CEGB CC1=C/C(=N\NC(=O)c2ccc3c(c2)OCO3)CC1 5164095 QRFJOOBYMJYABL-PTNGSMBKSA-N 258.277 2.241 50 40 CEGB CCC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 6388780 OJEMRZRALGRSGV-UHFFFAOYSA-N 291.298 2.433 50 40 CEGB CC(=O)c1cccc(NC(=O)CBr)c1 66056689 VQKPIBXNDMSXOU-UHFFFAOYSA-N 256.099 2.223 50 40 CEGB Cc1ccc(-c2ccc(/C=C/C(=O)NN)o2)cc1[N+](=O)[O-] 226257359 IREIULHHCRSWBZ-FNORWQNLSA-N 287.275 2.166 50 40 CEGB CC(C)C(=O)N/N=C1\C(=O)Nc2ccc(C(F)(F)F)cc21 223747708 MKAKXTIJOBGMGF-UHFFFAOYSA-N 299.252 2.134 50 40 CEGB N#Cc1cccc(NNC(=O)Nc2nccs2)c1 42755366 ZTFKEORKZYDFDB-UHFFFAOYSA-N 259.294 2.163 50 40 CEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)c(C)c1 12737340 CNAUNWBWSSUWPF-CYBMUJFWSA-N 272.348 2.421 50 40 CEGB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)Cl)cc1 4200388 GEUVGGDJTMBROK-JTQLQIEISA-N 268.744 2.019 50 40 CEGB O=C1CCC(=O)N1c1cccc(CBr)c1 72220952 IUAJAMNVWCGUNW-UHFFFAOYSA-N 268.110 2.235 50 40 CEGB C/C(CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)=N\NC(N)=O 4266883 BQFQOKZROFZLAI-FOKRCPMYSA-N 297.399 2.425 50 40 CEGB C[C@H](Cl)C(=O)Nc1nnc(-c2ccccc2)o1 9062146 HAMQJBQWKXCFBB-ZETCQYMHSA-N 251.673 2.302 50 40 CEGB O=C(CCl)NCc1cccc(OCC(F)(F)F)c1 57214364 SXZXUSFEHFDKLJ-UHFFFAOYSA-N 281.661 2.483 50 40 CEGB in-vitro COc1cccc(/C(C)=N/NC(=O)c2ccco2)c1 5025123 BIGHXHLLDFQHOB-XNTDXEJSSA-N 258.277 2.442 50 40 CEGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)OC(C)(C)C)c1O 13943387 MVSBCPLFLXLUDX-VGOFMYFVSA-N 295.295 2.467 50 40 CEGB O=C1Nc2ccccc2C2=N[C@H](CBr)CN12 8729700 JSCJDSWNQUYDRU-SSDOTTSWSA-N 280.125 2.058 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1)c1ccccc1O 15637036 NFISRTBAASBHSA-SFQUDFHCSA-N 284.315 2.311 50 40 CEGB COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1 8116343 WWOICIFCYHVSEI-PUMYGXPMSA-N 293.326 2.453 50 40 CEGB OB(O)c1cc(OCc2ccccc2)cc2ccccc12 1857793354 YNGRRWYJCOVXCI-UHFFFAOYSA-N 278.116 2.099 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1cccc(O)c1 580968 UPJJKJSSJXMREH-LFIBNONCSA-N 254.289 2.085 50 40 CEGB CCc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1 13323972 QFUOLYGOUHVKRM-UHFFFAOYSA-N 284.319 2.111 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1ccc2c(c1)OCCO2 5163713 OEZVPUYWIFNJGD-OQLLNIDSSA-N 278.308 2.316 50 40 CEGB Cc1[nH]c2ccccc2c1C(=O)NNC(=O)c1ccco1 14201891 BXZADDBULSNPMW-UHFFFAOYSA-N 283.287 2.144 50 40 CEGB CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCl 79420771 FGAULKHEXOOMHU-UHFFFAOYSA-N 256.689 2.182 50 40 CEGB BrC[C@@H]1CCCN(c2ncccn2)C1 79440386 KEXOAMBFWHTYCM-VIFPVBQESA-N 256.147 2.088 50 40 CEGB Cc1cc(C)c2c(=O)c(/C=N\C(C#N)=C(/N)C#N)coc2c1 96247835 PVXMWMAARJXAHS-VGHSBRNLSA-N 292.298 2.046 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)C1CCCCC1 512425 UQQVYRROXOQPBB-UHFFFAOYSA-N 260.337 2.336 50 40 CEGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccco1 221622 HEJYFVSGEVVAAM-LZYBPNLTSA-N 277.711 2.495 50 40 CEGB COc1ccccc1NC(=O)/C(C#N)=C/c1cnn(C)c1C 2749339 MXDQCCPXJJYEML-XYOKQWHBSA-N 296.330 2.283 50 40 CEGB CN(Cc1ccc(OC(F)F)cc1)C(=O)CCl 4205080 FZYXNGLTRRALIC-UHFFFAOYSA-N 263.671 2.485 50 40 CEGB N#CC1(O)CN(C(c2ccccc2)c2ccccc2)C1 146425644 OOGDXRGLXBOXIY-UHFFFAOYSA-N 264.328 2.346 50 40 CEGB C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O 96222569 XVSPKVRBCPVKPR-IUCAKERBSA-N 277.411 2.290 50 40 CEGB biogenic NNC(=O)c1cccn1-c1cccc(Cl)c1Cl 223727508 NTOQATFOHSNGCJ-UHFFFAOYSA-N 270.119 2.388 50 40 CEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccccn1 20100751 QLQPXSXTTGPSGT-WOJGMQOQSA-N 299.330 2.009 50 40 CEGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(O)cc1 6720112 LNHFWRGKEZOISQ-YBEGLDIGSA-N 286.335 2.393 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1 3555173 RNIQBYCMJGWORK-UHFFFAOYSA-N 272.279 2.209 50 40 CEGB CCNC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 5952627 TZNKVTXFYQJUCQ-UHFFFAOYSA-N 279.409 2.113 50 40 CEGB CC(C)CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 409001746 RBFGYELYYIWHPQ-OQLLNIDSSA-N 292.339 2.157 50 40 CEGB COc1ccc(/C=C(/C#N)C2=NC(=O)CS2)cc1OC 39379163 IFKKFKHWEJHXOX-YHYXMXQVSA-N 288.328 2.283 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2cn(C)c3ccccc23)n1 69515553 QEQFAEXEYBQWSU-UHFFFAOYSA-N 295.346 2.342 50 40 CEGB O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccncc1 349130 WQQWOPMASNUPCR-YBFXNURJSA-N 291.314 2.236 50 40 CEGB C[C@@]12C[C@@H](Br)[C@H](Br)C[C@@H]1O2 104276928 JVHROALZCZFSSO-MVIOUDGNSA-N 269.964 2.465 50 40 CEGB N#CC(C#N)=C(N)/C(C#N)=C\c1ccc2ccccc2n1 104313055 RCTRMVXQLRNRSN-GHXNOFRVSA-N 271.283 2.402 50 40 CEGB Cc1occc1C(=O)NN=C1CCN(C(C)C)CC1 55074084 RMESCCZKXZZLJZ-UHFFFAOYSA-N 263.341 2.178 50 40 CEGB CC/C(=N\NC(=O)c1cnccn1)c1ccccc1 17123320 ZGJXSUYIGRIVME-SFQUDFHCSA-N 254.293 2.021 50 40 CEGB COc1ccc(C(=O)N/N=C(\C)c2ccncc2)cc1OC 5381784 REYRUJDAKXNDCQ-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB N#Cc1ccc(OCC(=O)N/N=C/[C@@H]2CC=CCC2)cc1 5506412 SWNZBEFPZYJBGZ-XWAFYUISSA-N 283.331 2.395 50 40 CEGB N#C[C@@H](C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1 409197156 XHWKAAAGQMUJSZ-CLXYIWAZSA-N 279.299 2.150 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc(F)cc(F)c1 36379571 ZFMQPVALOWKRKZ-BQYQJAHWSA-N 252.220 2.347 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1 255344874 FBEUHJFXLUGNJI-WEVVVXLNSA-N 250.685 2.002 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2cccs2)c(C)o1 12921002 KXZJBIXVAAQHEM-UHFFFAOYSA-N 264.306 2.033 50 40 CEGB O=C(O)c1ccccc1C(=O)NNc1ccc(F)cc1 2569417 NVOSYLGKHYETHC-UHFFFAOYSA-N 274.251 2.281 50 40 CEGB O=C1O[C@@H](CCl)CN1Cc1ccc([N+](=O)[O-])cc1 2171562 RKIAWPKYDCGFPY-JTQLQIEISA-N 270.672 2.154 50 40 CEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 4474158 FDAIKZOVGLSOLW-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)C3CC3)cc2C1 14800598 SYTBRGGGJJNJIN-MRVPVSSYSA-N 278.377 2.044 50 40 CEGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(C#N)cc1 96021847 LLKUGBQLXJVJAQ-ZROIWOOFSA-N 253.305 2.334 50 40 CEGB O=C(NNC(=O)c1ccc(F)cc1F)c1ccccc1 5634859 IHTHTPGTKCHLGB-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB O=C1c2sccc2[C@H](NC(=O)C(F)(F)F)[C@@H]1Cl 5811268 FSJFWNXNDUIWQQ-WHFBIAKZSA-N 283.658 2.271 50 40 CEGB CCOC(=O)/C(C#N)=C1\SN(C)N=C1C(C)(C)C 13402124 YIAPCVSVPQDCIF-HJWRWDBZSA-N 267.354 2.323 50 40 CEGB CC1=C(C#N)[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1 14165563 AJMXPHQHUVZIKU-LLVKDONJSA-N 289.722 2.212 50 40 CEGB Cc1nc2c(o1)NC(N)=C(C#N)[C@H]2c1cccs1 125796 YBGFEINKDLKMET-VIFPVBQESA-N 258.306 2.296 50 40 CEGB CCOC(=O)NNC(=O)CCCc1c[nH]c2ccccc12 21771282 KYEMPSOLYFPNDQ-UHFFFAOYSA-N 289.335 2.268 50 40 CEGB CCOC(=O)NNC(=O)c1csc2c1CCCC2 36618275 SIMYTGHPMJJDGR-UHFFFAOYSA-N 268.338 2.018 50 40 CEGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1nccs1 13343547 SYNRMMIGQKRQMA-YRNVUSSQSA-N 299.311 2.387 50 40 CEGB Cc1cc(C)nc(NNC(=O)Cc2c[nH]c3ccccc23)n1 14511880 KKGMCFGOURMHIW-UHFFFAOYSA-N 295.346 2.261 50 40 CEGB CC(C)NC(=S)NNC(=O)c1csc2c1CCCC2 6827914 WUXFJKNUAVJCCY-UHFFFAOYSA-N 297.449 2.144 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1 408996070 NXCNUDOXGXITNZ-CXUHLZMHSA-N 275.283 2.249 50 40 CEGB COc1cc(/C=N\NC(=O)c2cc(C)oc2C)ccc1O 32576825 LPHDMURBZINVQQ-PXNMLYILSA-N 288.303 2.375 50 40 CEGB CCc1ccc(CC(=O)N/N=C\c2ccc(O)cc2O)cc1 409365110 SRKZFPBQTRQCFD-WQRHYEAKSA-N 298.342 2.353 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(C2C3CC4CC(C3)CC2C4)C1 45957816 NAHFGGKRSINRAU-WMJKOLINSA-N 281.783 2.425 50 40 CEGB O=C(CBr)Nc1c(F)cccc1F 41695875 LJXCVUJEUXCGMQ-UHFFFAOYSA-N 250.042 2.298 50 40 CEGB O=C(O)[C@@H](Br)CCCCBr 1603444 DQULMCCESHRDMR-YFKPBYRVSA-N 273.952 2.400 50 40 CEGB O=C(NNC(=O)C1CCC1)c1ccc(Br)cc1 3537174 HZCHCBGEVWDERT-UHFFFAOYSA-N 297.152 2.010 50 40 CEGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc[nH]1 551131 LUHIXSJDSMWLEK-LZYBPNLTSA-N 277.711 2.197 50 40 CEGB N#CCOc1ccccc1/C=N/NC(=O)c1ccccc1O 44060560 XGXOXVVNEQJSGH-WOJGMQOQSA-N 295.298 2.058 50 40 CEGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1 132217 LJYAILPIGGAGEO-SFQUDFHCSA-N 299.378 2.030 50 40 CEGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(N)=O 2228682 DWCDKJRRKOEGPC-XFFZJAGNSA-N 282.255 2.037 50 40 CEGB O=NN(CCCl)C(=O)Nc1ccc2c(c1)OCO2 4963082 AVLYOMOTASSHJT-UHFFFAOYSA-N 271.660 2.169 50 40 CEGB C[C@@H](c1ccccc1)N1CCN(C(=O)CCl)CC1 20268187 SFALRUMUWIIQMK-LBPRGKRZSA-N 266.772 2.131 50 40 CEGB in-vitro CC(=O)N1c2ccc(C(=O)CCl)cc2C[C@@H]1C 20283448 LXUXFLFSMLJDKG-QMMMGPOBSA-N 251.713 2.406 50 40 CEGB in-vitro O=C(N/N=C/c1ccccc1C(=O)O)c1ccccc1F 3241974 BFHKDOJZYPFKQH-RQZCQDPDSA-N 286.262 2.288 50 40 CEGB C[C@H](Br)C(=O)c1ccc2c(c1)OCCO2 4776260 OCBWTPQSRJMKKO-ZETCQYMHSA-N 271.110 2.424 50 40 CEGB CCCNC(=O)/C(C#N)=C/c1ccc(O)c(OCC)c1 1912894 WEGPPLZLPOTQIA-XYOKQWHBSA-N 274.320 2.224 50 40 CEGB CC(=O)NNC(=S)Nc1ccc(C(C)C)cc1 6387248 UWTJTMUSOPLHSV-UHFFFAOYSA-N 251.355 2.148 50 40 CEGB O=C(NNC(=O)C1CC1)c1cc2c(s1)CCCCC2 14183158 QTVWEDBNVBRCDQ-UHFFFAOYSA-N 278.377 2.188 50 40 CEGB Cc1nc(C2(NC(=O)CCl)CCCCCC2)no1 68583574 FYJLTWSJLZPZIR-UHFFFAOYSA-N 271.748 2.283 50 40 CEGB in-vitro COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 524141 ICCHOFHBJJSTNA-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB Cc1ccc(C(=O)NCCBr)cc1C 1621659 AWSBZDVVCCDCAB-UHFFFAOYSA-N 256.143 2.428 50 40 CEGB COc1cccc(/C=N\NC(=O)c2cc(C(C)C)n[nH]2)c1 30735276 YOFWRWXTIJMCQB-SXGWCWSVSA-N 286.335 2.306 50 40 CEGB NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 3242747 BFVLGUXANYIAGS-UHFFFAOYSA-N 298.371 2.459 50 40 CEGB C#CCOc1ccccc1/C=C(\C#N)C(=O)OCC 13141559 XPTXRCAUGIZTSC-JLHYYAGUSA-N 255.273 2.169 50 40 CEGB CCOc1cccc(/C=N/NC(=O)c2ccccn2)c1 6488562 JAYHERPHCRZIRZ-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB CCn1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 409064826 FSIOBXRUPXJPPO-LICLKQGHSA-N 270.336 2.284 50 40 CEGB CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2ccc(C)cc21 223194632 XJKYQYUXKDMGRS-LBPRGKRZSA-N 273.380 2.375 50 40 CEGB Cc1occc1C(=O)N/N=C/c1ccc(C#N)cc1 358418 XECQMOBMIRRNBO-CXUHLZMHSA-N 253.261 2.224 50 40 CEGB CO[C@H]1OC(C#N)=CC[C@@H]1c1ccc2c(c1)OCO2 4268081 GTJVYAQOSWPGIS-RISCZKNCSA-N 259.261 2.299 50 40 CEGB CCOc1ccc(NC(=O)C(=O)NN=C2CCCC2)cc1 4697530 KOLBJSCJHQXNTA-UHFFFAOYSA-N 289.335 2.070 50 40 CEGB CNC(=O)[C@@]12CC[C@](C)([C@H]1Br)C2(C)C 100868580 LYQBNJYQQIFZHD-AVPPRXQKSA-N 260.175 2.322 50 40 CEGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1 12773643 RKXWBBKPHVLTGH-UHFFFAOYSA-N 297.289 2.382 50 40 CEGB N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)O 98056050 XCIHVPCONSQMNC-UITAMQMPSA-N 253.204 2.322 50 40 CEGB N#C/C(=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O 409214068 XONVWXBVTWMBFQ-BHQIHCQQSA-N 286.074 2.294 50 40 CEGB O=C(N/N=C\c1ccccc1C(F)(F)F)c1cnccn1 12375311 VNWHBWCPUZBTLL-GXHLCREISA-N 294.236 2.259 50 40 CEGB BrC[C@@H]1CSc2nnc(-c3cccnc3)n21 12810472 XCMQHIXDBSSJKY-MRVPVSSYSA-N 297.181 2.382 50 40 CEGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(N)=O)c2c1 15018790 VUNMBACVFRILEH-YRNVUSSQSA-N 282.299 2.249 50 40 CEGB CNC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 1716473 NKULZUFWPVMHTQ-UHFFFAOYSA-N 291.219 2.374 50 40 CEGB Cc1cc(C)c(C(=O)c2ccccc2C(=O)NN)cc1C 1719617 JUUZRZGHYFTPPJ-UHFFFAOYSA-N 282.343 2.446 50 40 CEGB CO[C@H]1OC(C#N)=CC[C@H]1c1ccc2c(c1)OCO2 4268079 GTJVYAQOSWPGIS-FZMZJTMJSA-N 259.261 2.299 50 40 CEGB COC(=O)c1ccc(N2CCO[P@]2(=O)Cl)cc1O 104389365 NEQYCRIJQUZAIY-GOSISDBHSA-N 291.627 2.362 50 40 CEGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccccn1 5120014 ACQJRCBHNOOICL-QGOAFFKASA-N 283.331 2.309 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1ccccc1F 39977949 BCRWMGCDRBRTCM-YVLHZVERSA-N 272.279 2.355 50 40 CEGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccccn1 33328181 AIYRXMRVMBSWRS-UYRXBGFRSA-N 294.358 2.446 50 40 CEGB CN(C)c1ccc(C(=O)NN=C(CCl)CCl)cc1 100244205 BLPKHYWNKIWNIH-UHFFFAOYSA-N 288.178 2.316 50 40 CEGB O=[P@](O)(c1ccccc1)c1nc2c(s1)CCCC2 100835123 SUQLWRUPDISZPP-UHFFFAOYSA-N 279.301 2.243 50 40 CEGB Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1 17398497 IYWBLEISSGBHPS-UHFFFAOYSA-N 250.298 2.165 50 40 CEGB Cn1ccnc1SCC(=O)NNc1cccc(Cl)c1 49423312 XAFRDQXYGIMNLU-UHFFFAOYSA-N 296.783 2.309 50 40 CEGB CC(=O)N1CCc2cc(C(=O)[C@H](C)Cl)ccc21 4218919 JSMBGMRSUWECSH-QMMMGPOBSA-N 251.713 2.406 50 40 CEGB O=C(CCl)Nc1cccc(NC(=O)CCl)c1 5428475 AZNWFFZFJKOKDJ-UHFFFAOYSA-N 261.108 2.041 50 40 CEGB COC(=O)/C(C#N)=C(\Nc1ccccc1)N1CCCC1 16958695 FFKAZYWAFCMPMU-BUHFOSPRSA-N 271.320 2.102 50 40 CEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccs1 8357602 GCANSFPYDYEVRI-UHFFFAOYSA-N 299.355 2.233 50 40 CEGB NC(=O)N/N=C\C(c1ccccc1)c1ccccc1 8612564 OLLQWGLTKGDVKQ-BOPFTXTBSA-N 253.305 2.473 50 40 CEGB C/C(=N\NC(=O)c1ccco1)c1nc2ccccc2[nH]1 12362551 GQMCKMFHTDMREN-RQZCQDPDSA-N 268.276 2.310 50 40 CEGB N#Cc1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1 3316546 AURRMDSMOURUSB-VXLYETTFSA-N 297.289 2.226 50 40 CEGB CC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 6317922 JMHFROCMVGOJRO-UHFFFAOYSA-N 278.164 2.331 50 40 CEGB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)CCl 9646784 JUWYMTSFBYXWQF-LLVKDONJSA-N 283.755 2.304 50 40 CEGB NC(=O)[C@@H](Br)c1ccc(Br)cc1 96511410 FSLTWMUCDWXXRO-ZETCQYMHSA-N 292.958 2.370 50 40 CEGB N/C(CCl)=N\OC(=O)c1ccc(C(F)(F)F)cc1 4280792 YDYUMNDJSVVPRF-UHFFFAOYSA-N 280.633 2.373 50 40 CEGB N#Cc1ccsc1N1CC[C@@H](Br)C1=O 7736423 WIHIWFOGDKWMBK-SSDOTTSWSA-N 271.139 2.120 50 40 CEGB Cc1cccc(OCC(=O)N/N=C\c2ccccc2O)c1 54473393 CDMRCJXVSSMHPC-YVLHZVERSA-N 284.315 2.230 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cc1 138344242 RVQGIYQNRBVDBU-ZFFBWYPUSA-N 269.348 2.475 50 40 CEGB O=C1S[C@@H](Nc2ccccc2)C(=O)N1CCCl 12113040 LNLQQSKKOPAPSJ-SECBINFHSA-N 270.741 2.359 50 40 CEGB C/C(CC(C)(C)N1CC1)=N\NC(=O)NC1CCCCC1 4775886 OHDUMMOVFKOZEN-SFQUDFHCSA-N 280.416 2.479 50 40 CEGB C[C@@H](Cl)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062439 DZDYXJZSSZRAER-ZCFIWIBFSA-N 296.670 2.211 50 40 CEGB Cc1ccsc1C(=O)NNC(=O)c1ccccc1F 3392753 RNZCOEQTZDEJCD-UHFFFAOYSA-N 278.308 2.270 50 40 CEGB O=C(N/N=C/c1cccs1)c1cc([N+](=O)[O-])ccc1O 9028342 JPDLCUQIHJHTSQ-NTUHNPAUSA-N 291.288 2.126 50 40 CEGB CCc1ccccc1-n1c(C)cc(C(=O)NN)c1C 223708269 PGEZDTGIHHYXOA-UHFFFAOYSA-N 257.337 2.260 50 40 CEGB C[C@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2cc(F)ccc21 223830805 RWWSESANQVZSOU-VHSXEESVSA-N 279.359 2.296 50 40 CEGB C[C@@H](NNC(=O)c1ccccc1)c1ccc(N)cc1 5587054 LYMXIYYANBMZCC-LLVKDONJSA-N 255.321 2.264 50 40 CEGB Cc1nc(NC(=O)CCl)nc2c1C(=O)CC(C)(C)C2 19894256 KONQBXSARHOCMV-UHFFFAOYSA-N 281.743 2.117 50 40 CEGB COc1ccc(OC)c(NC(=O)CCBr)c1 2581848 XXHULZYCZBEATA-UHFFFAOYSA-N 288.141 2.427 50 40 CEGB O=C1OC(=O)c2ccccc2/C1=N/Nc1ccccc1 100922994 JRVCMSMLVVCPHQ-LGMDPLHJSA-N 266.256 2.200 50 40 CEGB CC(C)=CC(=O)NNC(=O)c1ccccc1Cl 46468773 VWJDULHYENJMQI-UHFFFAOYSA-N 252.701 2.067 50 40 CEGB Cc1nc2ccccn2c1C(=O)CBr 34278176 RNKKANZRLMVYNN-UHFFFAOYSA-N 253.099 2.220 50 40 CEGB COC(=O)/C(C#N)=C/c1cnc(N2CCCCC2)s1 1406099 IMWQZXOSBOJMSG-JXMROGBWSA-N 277.349 2.213 50 40 CEGB CC1=CC(=O)OC(=O)/C1=C\c1ccc(N(C)C)cc1 104352633 QPPCEZGQJXZSEV-LCYFTJDESA-N 257.289 2.166 50 40 CEGB CCOC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(C)s1 5457091 YWQMMUSHVRNMPR-YWEYNIOJSA-N 266.278 2.435 50 40 CEGB CC1(C)C(=O)Nc2ccc(C(=O)CBr)cc21 39173612 WZENROBSOBOGPW-UHFFFAOYSA-N 282.137 2.494 50 40 CEGB C[Si]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 195814897 SNYNNFDVNITLRQ-UHFFFAOYSA-N 281.585 2.290 50 40 CEGB O=C(CCCOc1ccccc1)NNC(=O)c1ccccc1 2618060 DBEBAQAKYAWNSU-UHFFFAOYSA-N 298.342 2.307 50 40 CEGB Cc1nn(C)c(C)c1C(=O)NNc1cccc(Cl)c1 32878713 XUZATXDVEAAYTO-UHFFFAOYSA-N 278.743 2.447 50 40 CEGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 9028396 IPDUMBBHVFXDDF-FJPLVIOVSA-N 291.307 2.464 50 40 CEGB CC(C)CC(=O)NNC(=O)c1ccccc1Br 10160298 HIFKKAZQHBEEHL-UHFFFAOYSA-N 299.168 2.256 50 40 CEGB CN(NC(=O)c1n[nH]c2ccccc12)c1ccccc1 8134289 QIQLRRKQWZNNIG-UHFFFAOYSA-N 266.304 2.344 50 40 CEGB CC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 8984646 VIQDMTROEAZYQX-VIFPVBQESA-N 285.347 2.074 50 40 CEGB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Cl 20203517 LHUBOQNSCDPIPX-MRVPVSSYSA-N 255.701 2.429 50 40 CEGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2O)cc1 408711901 PVQKPMGYLYZUHG-PDGQHHTCSA-N 298.342 2.484 50 40 CEGB CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408991645 ORGOJQKQSCHOKW-XNTDXEJSSA-N 290.323 2.055 50 40 CEGB Cc1ccc(-c2cc(C(=O)N/N=C\c3cccnc3)[nH]n2)o1 33294980 GODWNBQZBRVFTQ-MFOYZWKCSA-N 295.302 2.137 50 40 CEGB CNC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1 33329037 GQFILRUBJMLVDQ-QBFSEMIESA-N 294.358 2.196 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1 511978 WYBNWDGLSIPZLM-GZTJUZNOSA-N 268.316 2.393 50 40 CEGB CCC(=O)Oc1cccc(/C=C(\C#N)C(=O)OC)c1 1790989 SDPJTGVRYJVKGK-YRNVUSSQSA-N 259.261 2.082 50 40 CEGB CCOC(=O)/C(C#N)=C\c1ccccc1OCC#N 17296754 FCQSDAMZRKGCMQ-XFXZXTDPSA-N 256.261 2.059 50 40 CEGB CC(=O)Nc1ccc(NC(=O)NCCCl)cc1 1728340 TVEXWMIHADAMGQ-UHFFFAOYSA-N 255.705 2.005 50 40 CEGB Cc1ccsc1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 13959429 RKAQNYZNQVRWDF-VGOFMYFVSA-N 274.349 2.421 50 40 CEGB CCCNC(=O)/C(C#N)=C/c1cccc(OC)c1OC 4603454 PYIZNGYHKLHLAJ-FMIVXFBMSA-N 274.320 2.137 50 40 CEGB CN(C)c1ccc(C(=O)NNC(=O)C2CCCCC2)cc1 9338474 GUQUYCDDJPZEDC-UHFFFAOYSA-N 289.379 2.094 50 40 CEGB COc1cccc(C(=O)N/N=C\c2ccccc2OC)c1 33303627 VJTVCKXXXCXRCH-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCC#N)cc1 195381022 DUBSAONUBDWHJJ-LCYFTJDESA-N 269.304 2.021 50 40 CEGB O=C1[C@@H](Br)CCN1c1ccc(F)cc1 82606398 JOGRIGISZKFETF-VIFPVBQESA-N 258.090 2.326 50 40 CEGB CC1=C/C(=N/NC(=O)c2ccc[n+](C)c2)CC(C)(C)C1 17044894 KKRAGGWEGZXWRY-VKAVYKQESA-O 272.372 2.363 50 40 CEGB CCc1ccc(C(=O)N/N=C/c2cccnc2)s1 20212906 ZDUWVGCEWUJMJP-OQLLNIDSSA-N 259.334 2.469 50 40 CEGB Br[C@@H]1C[C@@H]2O[C@@H]2C[C@H]1Br 356672 UPEVUGACLNEWPQ-KAZBKCHUSA-N 255.937 2.075 50 40 CEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 3009158 NZXIALQMOARRTH-WOJGMQOQSA-N 289.379 2.176 50 40 CEGB CCn1cc(C(=O)Cl)c(=O)c2ccc(C)nc21 38276797 ONGJEHAKUPWJEX-UHFFFAOYSA-N 250.685 2.104 50 40 CEGB N#Cc1ccc2c(c1)C[C@H](CI)O2 218743729 SFAYRKNASYDVKW-SECBINFHSA-N 285.084 2.297 50 40 CEGB CS(=O)(=O)c1ccc(F)c(CBr)c1 169807527 HIXNPGRPQATGET-UHFFFAOYSA-N 267.119 2.124 50 40 CEGB CCOc1cccc(/C=N/NC(=O)C2CCCC2)c1O 20189901 RYOSCEOKCUMBIX-MHWRWJLKSA-N 276.336 2.431 50 40 CEGB CC(=O)N[C@@H]1CCCCC[C@H]1I 1712325 LCDLRTZJFWIBNP-RKDXNWHRSA-N 281.137 2.259 50 40 CEGB COc1ccc(/C=N/NC(=O)CC#N)cc1C(C)(C)C 6761881 PXZRLPCIARQJTQ-LICLKQGHSA-N 273.336 2.356 50 40 CEGB C/C(N)=C(\C#N)C(=O)CSc1nc(C)nc2ccccc12 104349244 WZQHDCDICWUBIX-XFXZXTDPSA-N 298.371 2.356 50 40 CEGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2c1C 12568670 DMRSEOMUQDSVOT-UHFFFAOYSA-N 296.330 2.188 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1OC 5527279 CKIBDWQTLIMSTQ-MEVQHSSJSA-N 286.331 2.386 50 40 CEGB COc1cc(/C=N/NC(=O)CSC(C)(C)C)ccc1O 6950397 HINCTTHHTBTLCQ-OVCLIPMQSA-N 296.392 2.383 50 40 CEGB COc1ccc2c(c1)N([C@@H](C)C(=O)NN)C(C)(C)C=C2C 223194947 DUMNXMGPWXHUJM-NSHDSACASA-N 289.379 2.076 50 40 CEGB C=C(Cl)COc1ccc(/C(C)=N/NC(N)=O)cc1 54861143 CBWVLSIAAAMDCF-OQLLNIDSSA-N 267.716 2.210 50 40 CEGB N#Cc1ccc(NNC(=O)c2ccccc2)c([N+](=O)[O-])c1 5871061 UXGKANWJLCXZTL-UHFFFAOYSA-N 282.259 2.223 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1sccc1C 2682476 JUGWCPNYIQRJFV-DHZHZOJOSA-N 264.350 2.116 50 40 CEGB C=CCOc1ccc(C(=O)N/N=C/c2ccncc2)cc1 3089588 GNCJLWXHKIHRBH-LDADJPATSA-N 281.315 2.410 50 40 CEGB COc1cc2c(cc1OC)C(=O)[C@H](Br)C2 19727222 NSPWDODUFKPVMO-MRVPVSSYSA-N 271.110 2.206 50 40 CEGB COc1cc(C)c(/C=C(\C#N)C(=O)NC2CC2)cc1C 409202102 ZMLRJEZXTWFUTF-MDWZMJQESA-N 270.332 2.498 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2cc(C)oc2C)n1 12926838 VQWPPGSMRHKQTQ-UHFFFAOYSA-N 260.297 2.060 50 40 CEGB COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1 31905727 FCHCUNHWCMPCGS-ATVHPVEESA-N 268.316 2.388 50 40 CEGB Cc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)o1 36224000 YGYMLMMQCBETSF-SXGWCWSVSA-N 260.268 2.420 50 40 CEGB NNC(=O)c1cn(C(=O)c2ccc(F)cc2)c2ccccc12 216953912 GARBRHSLDUGMAS-UHFFFAOYSA-N 297.289 2.072 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)N2CCCC2)c(OC)c1 33370349 SDHKIUVHEBCHPP-LCYFTJDESA-N 286.331 2.233 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(N3CCCC3)c2)C1 45958207 ZIUSXTXUWYMRLV-LLVKDONJSA-N 292.766 2.405 50 40 CEGB CCOC(=O)N/N=C\c1cc(Br)ccc1O 96372347 UTOMKXNZSDRRCM-SDQBBNPISA-N 287.113 2.235 50 40 CEGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccnc1 8783644 PRLPKYYDZYSNKM-INIZCTEOSA-N 292.342 2.366 50 40 CEGB N#CC1=C2SCCN2C(=O)[C@@H](C#N)C12CCCCC2 245800 GGSWTWGDZHIJTB-SNVBAGLBSA-N 273.361 2.401 50 40 CEGB N#C[C@H](Br)Cc1ccccc1C(=O)O 86617 PMHIIOOSCAMFST-MRVPVSSYSA-N 254.083 2.214 50 40 CEGB Cc1ccccc1-n1nc(C(=O)NN)cc1-c1ccccc1 59472469 UNURGCZZBQLHIK-UHFFFAOYSA-N 292.342 2.451 50 40 CEGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)o1 408996692 MOJWZWMZKSQKHU-GZTJUZNOSA-N 286.335 2.285 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC=CCC1 24304498 OTKKDCUHXWPBKL-GFCCVEGCSA-N 292.766 2.386 50 40 CEGB COC(=O)NN=C1CCN(c2cccc(OC)c2)CC1 63554350 BRCVQFOYASFKCA-UHFFFAOYSA-N 277.324 2.007 50 40 CEGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)cc1O 9096103 AWHOKDBSDWPXQZ-MRWHSHBSSA-N 288.347 2.374 50 40 CEGB ClCc1ccc(I)nc1 72225923 XGHRWDRIKBVUEB-UHFFFAOYSA-N 253.470 2.425 50 40 CEGB O=C(N/N=C(\c1ccccc1)c1ccncc1)C1CC1 5680261 JQVXYQAFGPBOBL-OBGWFSINSA-N 265.316 2.360 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1 57787003 BDIBBMQNMWEXCX-VCHYOVAHSA-N 267.263 2.461 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)o1 12614592 GFOZHZXOPIKTES-UHFFFAOYSA-N 278.695 2.316 50 40 CEGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)C1[C@H]2CCCC[C@H]12 100505423 KTDSHTNRSBGIEE-BYNSBNAKSA-N 298.386 2.374 50 40 CEGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccnc2)cc1 193793889 UWBXRCMIJPGGER-DHDCSXOGSA-N 293.326 2.314 50 40 CEGB CC(C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253395874 CRGDNUWRFOLBSO-AWEZNQCLSA-N 298.346 2.279 50 40 CEGB Cc1ccc(NCC(=O)N/N=C/c2ccco2)cc1C 566133 AQLOJVHEIIFUMI-RQZCQDPDSA-N 271.320 2.459 50 40 CEGB C/C(CC(C)(C)N1CC1)=N/NC(=O)NC1CCCCC1 17380654 OHDUMMOVFKOZEN-ATVHPVEESA-N 280.416 2.479 50 40 CEGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1ccco1 6492756 GUZVKVHGHDBKQW-WJDWOHSUSA-N 271.320 2.500 50 40 CEGB O=C(N/N=C/c1cccc(F)c1)c1ccc2c(c1)OCO2 3323889 JXSCPJNMZRDJQN-CAOOACKPSA-N 286.262 2.318 50 40 CEGB CC(C)COc1ccc(C(=O)NN)cc1Br 66056536 LYFWIBGOLJEZET-UHFFFAOYSA-N 287.157 2.087 50 40 CEGB Cc1ccc(OCC(=O)N/N=C\c2cccn2C)c(C)c1 30843617 NMNZNOKOVBGFTD-YVLHZVERSA-N 285.347 2.171 50 40 CEGB COC(=O)[C@@H](Br)COCc1ccccc1 88009906 KBWIIBVKXVUCIV-JTQLQIEISA-N 273.126 2.140 50 40 CEGB Cc1nc(-c2ccc(Cl)c(Cl)c2)ncc1C(=O)NN 223455121 AOLGSOOFROUQBL-UHFFFAOYSA-N 297.145 2.362 50 40 CEGB Cc1ccccc1OCc1cccc(C(=O)NN)c1 110558051 WTHNBTOZAIOECQ-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccncc1)OCO3 78546986 JYKWSYWIIGVVQC-HNNXBMFYSA-N 293.282 2.028 50 40 CEGB CC(=O)NNC(=S)Nc1cccc(Cl)c1Cl 6317952 AYGMWMMYFKHAQH-UHFFFAOYSA-N 278.164 2.331 50 40 CEGB COc1cc(C[C@@H]2CC(CCl)=NO2)cc2c1OCO2 15085710 JODLKVPFZFQWHX-SNVBAGLBSA-N 283.711 2.350 50 40 CEGB O=C(N/N=C\c1c[nH]c2ccccc12)c1n[nH]c2c1CCC2 32694263 VDYKCJRRDRLWCX-NVMNQCDNSA-N 293.330 2.144 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1cccc(O)c1 32654850 UPJJKJSSJXMREH-WJDWOHSUSA-N 254.289 2.085 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccco2)c1 582488 KRZROFDFZOIZOG-OQLLNIDSSA-N 271.276 2.002 50 40 CEGB C=CCOC(=O)C1=C(C)NC(O)=C(C#N)[C@@H]1c1ccco1 2729509 VZMGUXMQIRYPGU-CYBMUJFWSA-N 286.287 2.263 50 40 CEGB COC(=O)/C(C#N)=C1\CCC[C@@H]1C(SC)=C(C#N)C#N 59662359 SHLMEXMGRFOMCY-OCUQMRJBSA-N 287.344 2.444 50 40 CEGB Cc1ccc(SCC(=O)N/N=C/[C@@H]2CCOC2)cc1 95946976 OYOJGXSPNVFPGP-AAWHYMEISA-N 278.377 2.226 50 40 CEGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2)c1O 36236327 LROPMGMDPWXAMW-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB COc1cccc(CN(C(=O)CCl)C2CC2)c1 32108114 VSIFZDNGCJZXTA-UHFFFAOYSA-N 253.729 2.425 50 40 CEGB O=C(CCl)Nc1c2c(nc3c1CCC3)CCC2 5249937 SNADSBZQIVXXCB-UHFFFAOYSA-N 250.729 2.236 50 40 CEGB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Cl 12505689 LIGDNBXHAHYSCZ-ZETCQYMHSA-N 270.716 2.219 50 40 CEGB CCc1n[nH]c2c1[C@@H](c1ccc(C)o1)C(C#N)=C(N)O2 13555598 VVJDFSRBUSXRMY-LLVKDONJSA-N 270.292 2.092 50 40 CEGB COCC(=O)NN=C(c1ccccc1)c1ccccc1 48429348 LFJPGIRYKQNRHW-UHFFFAOYSA-N 268.316 2.202 50 40 CEGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1c[nH]c2ccccc12 14183466 UXZVEIOVMUOLOY-LLVKDONJSA-N 283.331 2.285 50 40 CEGB CC(=O)N/N=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 7779470 RHLCEQNKFOBOIS-RQZCQDPDSA-N 284.363 2.327 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2/CCn3cccc32)cc1 84155320 FGYXUJRLXMSCOM-JXAWBTAJSA-N 282.347 2.133 50 40 CEGB NNC(=O)c1cccn1-c1cccc(C(F)(F)F)c1 223740611 WXGMDIMALLJXEE-UHFFFAOYSA-N 269.226 2.100 50 40 CEGB CCCCCCNC(=S)NNC(=O)OC(C)(C)C 6264052 PKSYLHZFOQMZCJ-UHFFFAOYSA-N 275.418 2.471 50 40 CEGB O=C(N/N=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] 4589397 YOKZWKFHYKPUGP-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB Cc1cc(OC(=O)CCl)n(-c2ccccc2)n1 152884 LCFCXKBAJJXTLG-UHFFFAOYSA-N 250.685 2.325 50 40 CEGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1 93794 HTSFWLZHGCFJMX-OOIIIRTPSA-N 284.315 2.310 50 40 CEGB COc1ccc(-n2cnc(Cl)c2/C=N/NC(C)=O)cc1 32936480 LVBAVWFMURNUEY-FRKPEAEDSA-N 292.726 2.004 50 40 CEGB Cc1cccc(NC(=O)CCNC(=O)[C@H](C)Cl)c1 8733104 CCCTUVITQKCTAV-JTQLQIEISA-N 268.744 2.067 50 40 CEGB CC(=O)O[C@H]1[C@@H]2CC(C)(C)CC2=C(C=O)[C@@]2(C=O)C[C@]12C 103967917 MJXHKPSYLUUZDJ-UOJCXKCYSA-N 290.359 2.459 50 40 CEGB C[C@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CC(=O)O 108359624 CQENDPLRWOGOPD-BLMCLJNJSA-N 275.142 2.230 50 40 CEGB Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1ccccc1 256050256 DIKVLDUYIUHSTJ-UHFFFAOYSA-N 284.315 2.126 50 40 CEGB C/C(=N/NC(=O)c1ccccc1)c1cccc(N)c1 16989329 JPQKOFRBXDBPEW-BOPFTXTBSA-N 253.305 2.423 50 40 CEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CC=CC3 104286471 MBOCWUFISKKKSD-QABPJWGKSA-N 254.285 2.011 50 40 CEGB C/C(=N\NC(=O)C1CCCCC1)c1c(O)cc(C)oc1=O 6255140 NNTGGLBWEIENLR-MHWRWJLKSA-N 292.335 2.074 50 40 CEGB FC(F)(F)c1cccc(-n2nnnc2CCl)c1 6658067 HXDNQDWDQHSHEV-UHFFFAOYSA-N 262.622 2.420 50 40 CEGB CC1(CC(=O)N/N=C/c2cccc(O)c2)SCCS1 409364141 NFAUEIVPJUWKCX-NTEUORMPSA-N 296.417 2.429 50 40 CEGB CCOC(=O)N[C@@H](CC(=O)NCCCl)c1ccccc1 33763655 RECJTNLENIHJFV-LBPRGKRZSA-N 298.770 2.219 50 40 CEGB O=C(NN=Cc1ccc2nccn2c1)c1cccs1 725239955 MPHVTJOTSAWHOU-UHFFFAOYSA-N 270.317 2.160 50 40 CEGB Cc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1 127076 DAHKSPZNRDCDNT-UHFFFAOYSA-N 291.420 2.437 50 40 CEGB Cc1cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c(C)o1 8143932 WGIZSZHDEDKVJM-LLVKDONJSA-N 262.309 2.014 50 40 CEGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccccc1 5222225 LFUMWKBYGCANEE-YHZJOHHESA-N 268.316 2.260 50 40 CEGB Cc1cc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 18240610 NHCNHNRZDRIZPO-AOKOCQCDSA-N 299.290 2.055 50 40 CEGB CC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCC1 78620861 IIFDHSFMKNSBAJ-UHFFFAOYSA-N 287.323 2.155 50 40 CEGB COc1cccc(C2=NC(=C(C#N)C#N)SC2)c1 35194013 KIYJQNMCBSFNAL-UHFFFAOYSA-N 255.302 2.490 50 40 CEGB C[C@H]1CN1[P@](=O)(N1CCCCCC1)N1C[C@H]1C 301054480 TURZROKNIDMCIC-JEMJHWDHSA-N 257.318 2.379 50 40 CEGB COc1ccccc1OCC(=O)N/N=C\c1ccsc1 33593250 LRESGCKJBHGILI-NVNXTCNLSA-N 290.344 2.286 50 40 CEGB C=CC(=O)OCCC[Si](OCC)(OCC)OCC 195898562 XDQWJFXZTAWJST-UHFFFAOYSA-N 276.405 2.154 50 40 CEGB COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1O 1476661 RXNJGPGLPLIOCQ-LZYBPNLTSA-N 288.303 2.375 50 40 CEGB NC(=O)N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 36843681 MOXLFVVYXLTOIP-SYZQJQIISA-N 286.118 2.423 50 40 CEGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccco1)OCO3 85408850 JFTDWGACFYJDHJ-AWEZNQCLSA-N 282.255 2.226 50 40 CEGB C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 4674235 OWYABHQBCIIHGE-YBEGLDIGSA-N 268.320 2.441 50 40 CEGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Nc3ncnn32)cc1 4511206 DHNOILWFMCFKKJ-CYBMUJFWSA-N 280.335 2.110 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cn1 4724689 ZEGLBJSOKOCXOY-SXGWCWSVSA-N 284.275 2.062 50 40 CEGB O=C(NNC(=S)Nc1ccccc1)[C@@H]1CC=CCC1 15666079 ODHMQMIOWZGGJD-LLVKDONJSA-N 275.377 2.361 50 40 CEGB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 18266097 DASZZEJUMGTMIH-CYBMUJFWSA-N 297.289 2.041 50 40 CEGB O=C(N/N=C\c1ccc(O)cc1)[C@H]1OCCc2ccccc21 26503640 BOBILCUXNWRMNZ-GYXHFJGISA-N 296.326 2.156 50 40 CEGB CCOc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 408589549 LUECSAAVFAOMAK-IQFISFIMSA-N 298.342 2.269 50 40 CEGB O=C1CC(c2ccc(Br)cc2)CC(=O)O1 100494479 UVZKTNHKBFICNI-UHFFFAOYSA-N 269.094 2.396 50 40 CEGB CC(C)(O)C(=O)N/N=C/c1c(Cl)cccc1Cl 32578414 DOXPFFQCIPCQGG-MKMNVTDBSA-N 275.135 2.214 50 40 CEGB COC(=O)[C@@H](Br)c1ccc(OC)cc1 34436821 YICYREKXXVXWCS-VIFPVBQESA-N 259.099 2.304 50 40 CEGB in-vitro Cc1ccc(C(=O)NNC(=O)Cc2ccsc2)c(C)c1 9366094 VFBPKLMAOAAVFO-UHFFFAOYSA-N 288.372 2.369 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1[C@H]1C=CCCC1 19853024 MVNXSXDTXPPBSC-QMMMGPOBSA-N 258.350 2.093 50 40 CEGB O=S(=O)(c1ccc(CCl)o1)N1CCCCC1 84155868 MTSJETVJFPOSJZ-UHFFFAOYSA-N 263.746 2.193 50 40 CEGB Cc1cc(C(=O)CBr)ccc1C(=O)O 218397083 WZHFNERWIZMPLI-UHFFFAOYSA-N 257.083 2.271 50 40 CEGB C/C(CCc1ccccc1Br)=N\NC(N)=O 4919226 FPSXJYGFSKTYRT-RIYZIHGNSA-N 284.157 2.426 50 40 CEGB COCCOC(=O)/C(C#N)=C/c1ccc(F)c(F)c1 6453448 LUAQYBFQJMJNLQ-UXBLZVDNSA-N 267.231 2.061 50 40 CEGB Cc1ccc(-n2cccc2/C=N/NC(N)=O)cc1Cl 566209 GBBPRQOLPKJVRC-LZYBPNLTSA-N 276.727 2.441 50 40 CEGB CC[C@H](Oc1cccc(Cl)c1Cl)C(=O)NN 16990409 TVJBESURPBJTNF-ZETCQYMHSA-N 263.124 2.141 50 40 CEGB N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1nccs1 70017930 SYNRMMIGQKRQMA-XFFZJAGNSA-N 299.311 2.387 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2cccnc2)c1 32511873 FTWXJARYIPHSNV-FHNWIRHTSA-N 283.331 2.308 50 40 CEGB COc1cc2cnc(CCCl)nc2cc1OC 504685922 PMZKUSUSGHZTTB-UHFFFAOYSA-N 252.701 2.428 50 40 CEGB CS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(Cl)cc1 96517758 QSEDUGZJOGFBHH-SECBINFHSA-N 267.133 2.132 50 40 CEGB C/C(=C\C(=O)C(C)(C)C)NNC(=O)c1ccccc1O 16136494 RHTYZNPNRSEVDV-MDZDMXLPSA-N 276.336 2.146 50 40 CEGB C/C(=N\NC(=O)c1ccccc1)c1ccccc1N 16137124 MZBLORDABNHFOT-GZTJUZNOSA-N 253.305 2.423 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccccc2OC)cc1 5329225 HBRGUFKBOUYUNL-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NC1CC1 286344 CBSORKRACOTIJW-JXMROGBWSA-N 251.289 2.353 50 40 CEGB C[C@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 100042048 BLUAFEHZUWYNDE-OWBKAPBLSA-N 282.336 2.395 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1 4156249 VBFALWUUEFFNMJ-JCUXOLLJSA-N 256.305 2.377 50 40 CEGB CC(=O)CCOC[C@H](Br)C(F)(F)F 1083808043 WZPHVCVYGBKHNR-LURJTMIESA-N 263.053 2.308 50 40 CEGB Cc1nc2sccn2c1C(=O)NN=C1CCCC1 307658 OTRZERAFNGPTJC-UHFFFAOYSA-N 262.338 2.364 50 40 CEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccncc2)c1 175053 SXOMNFQKKKORAX-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB COc1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 272300 DFISGPCKOIOWLF-DHZHZOJOSA-N 268.272 2.347 50 40 CEGB N#CSCCOCCOC(=O)NC1CCCCC1 1600140 GQHWDKXKSDJPFR-UHFFFAOYSA-N 272.370 2.276 50 40 CEGB BrC[C@@H](Br)C[n+]1ccccc1 3168177 UABKMYNQEOLYAL-MRVPVSSYSA-N 279.983 2.133 50 40 CEGB CCc1nnc(NC(=O)[C@H](Br)CC)s1 12062422 PBCULBGTDITBQM-RXMQYKEDSA-N 278.175 2.213 50 40 CEGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O)[C@@H](Br)C2=O 100766101 MTHNSUMNUZOJER-CYUDJLOBSA-N 275.142 2.230 50 40 CEGB CC(=O)Nc1ccc(NC(=O)CCl)c(Cl)c1 4169644 NEHMOTXSDZZBSH-UHFFFAOYSA-N 261.108 2.476 50 40 CEGB CC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NN 16990406 TVJBESURPBJTNF-SSDOTTSWSA-N 263.124 2.141 50 40 CEGB O=C(NNc1ncccc1[N+](=O)[O-])Nc1ccccc1 20031188 DGYOWAKBHYZCFR-UHFFFAOYSA-N 273.252 2.138 50 40 CEGB CCCCC(=O)NNC(=O)COc1ccccc1Cl 14197068 IWVFPDLFZVOUAK-UHFFFAOYSA-N 284.743 2.056 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCCCO2 19422445 LGXBZQBFCPBBFC-MRVPVSSYSA-N 255.701 2.414 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1ccc(F)cc1 33329303 AQYCNQGZRXEHBV-YVLHZVERSA-N 272.279 2.355 50 40 CEGB C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CC(=O)O 225450113 CQENDPLRWOGOPD-WBOFEENNSA-N 275.142 2.230 50 40 CEGB CC[C@H](C)[C@@](C)(O)CNC(=O)/C(C#N)=C/c1ccco1 96441099 HGTROHKIJPHMEP-YYSJNBEOSA-N 276.336 2.100 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2cc(C)ccc2O)cc1 8367777 CJKNAJIALJRWNE-WOJGMQOQSA-N 298.342 2.402 50 40 CEGB COC(=O)c1c(NC(=O)CCl)sc2c1CCS2 159926 FBLFQOLXOSTEKX-UHFFFAOYSA-N 291.781 2.360 50 40 CEGB CCCc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2 31205 KHVAOXFTLAWKAS-UHFFFAOYSA-N 290.392 2.213 50 40 CEGB N#CCOc1ccccc1/C=N/NC(=O)c1ccccc1 2175968 FBTVAMUJSXHFMT-LDADJPATSA-N 279.299 2.353 50 40 CEGB O=C(Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3881165 DTAXEYPEKABWAG-UHFFFAOYSA-N 287.768 2.240 50 40 CEGB Cc1cc(C)nc(NNC(=O)/C=C/c2cccs2)n1 65607826 GCLXCQOZAKLYQM-AATRIKPKSA-N 274.349 2.311 50 40 CEGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccnc1 5621126 RABLOWKADZYBCW-LICLKQGHSA-N 257.268 2.375 50 40 CEGB COc1ccccc1/C(C)=N/NC(=O)c1cccnc1 4964526 QFRUUOUCBZKXRR-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB O=C(CCl)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39753445 MFLDJJMVXJSIQP-UHFFFAOYSA-N 298.711 2.291 50 40 CEGB O=C1c2ccccc2C(=O)N1CC=CCBr 1857793389 SEQICEWHVVSOCY-UHFFFAOYSA-N 280.121 2.234 50 40 CEGB COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)N=C=O 2524718 WUYUPSBZNUPPFJ-ZDUSSCGKSA-N 277.320 2.284 50 40 CEGB C[C@]1(C(=O)NNC(=O)c2ccccc2)C[C@@H]2C=C[C@H]1C2 4973989 BTLDZGHWLJKVQS-FFSVYQOJSA-N 270.332 2.050 50 40 CEGB COC(=O)N/N=C(\c1ccccc1)c1ccncc1 2740235 FUVYAJOPIQSSAD-DTQAZKPQSA-N 255.277 2.190 50 40 CEGB CCCCNC(=O)C(=O)N/N=C/c1cccc2ccccc12 4113751 SCAJKZATYAACPZ-XDHOZWIPSA-N 297.358 2.206 50 40 CEGB CCOC(=O)c1cccc(NC(=O)[C@H](C)Cl)c1 20203551 CNPKMTPPWMKRRE-QMMMGPOBSA-N 255.701 2.429 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43273680 BLUAFEHZUWYNDE-UQJMEKPASA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro Cc1cc(O)nc(SSc2nc(C)cc(O)n2)n1 12495906 CRVQQNSEQYMTBW-UHFFFAOYSA-N 282.350 2.094 50 40 CEGB N#C/C(=C\c1ccc(C=O)cc1)S(=O)(=O)c1ccccn1 160950 BIGALVJBZKRURI-NTEUORMPSA-N 298.323 2.232 50 40 CEGB COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 485310 ALBNPQUQPGUOJE-UHFFFAOYSA-N 284.315 2.078 50 40 CEGB O=C(NN/C=C1\OC(=O)c2ccccc21)c1ccccc1 100435245 ABUOFYLSAUZYFG-UVTDQMKNSA-N 280.283 2.090 50 40 CEGB O=C(CCl)/N=c1/sccn1Cc1ccccc1 100404774 OXABYCTXZDBDAY-WYMLVPIESA-N 266.753 2.264 50 40 CEGB CO[C@H](C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1 567194 BRGWYULLCDWDRY-VUVCFOEZSA-N 284.315 2.230 50 40 CEGB O=C(NNC(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1 4576152 BQRJBGAQIHCRIF-UHFFFAOYSA-N 297.289 2.382 50 40 CEGB COC(=O)N/N=C(C)/C=C/c1ccc2c(c1)OCO2 5725305 BZMGBWKEKBRAAP-LDKZCNOQSA-N 262.265 2.160 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)o1 8728840 OJJYNNJJJZVCTC-UHFFFAOYSA-N 283.287 2.144 50 40 CEGB O=[N+]([O-])O[C@H](CBr)c1ccc([N+](=O)[O-])cc1 32156434 APCSUXLRGPGZCG-MRVPVSSYSA-N 291.057 2.239 50 40 CEGB CC1(C)[C@@]2(C)CC[C@]1(Br)C(=O)OC2=O 95676806 RYWWJLPKKKYWSY-UWVGGRQHSA-N 261.115 2.030 50 40 CEGB ClCCOC[C@H]1CO[C@@H](C(Cl)(Cl)Cl)O1 5725692 BZHPXLBJYOPNPE-NTSWFWBYSA-N 283.966 2.354 50 40 CEGB COc1ccccc1/C=N\NC(=O)c1ccccc1O 17023791 HCQWOCUPHAMYRB-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(O)cc1 3145434 KJMBHTXDSXOLNG-HNNXBMFYSA-N 280.283 2.316 50 40 CEGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccccc1 6045586 JVBGTUVXXOUQLB-UHFFFAOYSA-N 273.252 2.138 50 40 CEGB C[C@]12[C@@H](Br)[C@H]3[C@H]4C[C@@H]5[C@H](C(=O)[C@H]1[C@@H]53)[C@@H]42 100019715 DYJXAYHLFCEUAR-ILFFFUFASA-N 253.139 2.097 50 40 CEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C)c(C)c1 100930973 XEFZUIPXUJWOJT-DHDCSXOGSA-N 295.342 2.438 50 40 CEGB CCc1ccc(C(=O)NNC(=O)C[C@H]2C=CCC2)cc1 12744810 GBBVHCMFTXKNBL-ZDUSSCGKSA-N 272.348 2.366 50 40 CEGB CCOC(=O)N[C@H](CC(=O)NCCCl)c1ccccc1 33763656 RECJTNLENIHJFV-GFCCVEGCSA-N 298.770 2.219 50 40 CEGB N#CCC(=O)N/N=C/c1cccn1-c1ccc(Cl)cc1 361456 NGPILOVROGVUER-LICLKQGHSA-N 286.722 2.494 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@H]2CC[C@H]1C2 102407777 LMDYJALQGMNNBR-XTJHUYNNSA-N 287.319 2.430 50 40 CEGB C[C@H](O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515385 QAKHNLRVXMVHME-FHXOWUIVSA-N 298.342 2.097 50 40 CEGB O=C(C(Cl)Cl)N1CCOC12CCCCC2 4529885 QWWHRELOCZEQNZ-UHFFFAOYSA-N 252.141 2.309 50 40 CEGB CC(C)NC(=O)c1ccc(NC(=O)CBr)cc1 35605393 XWBNGSFXHJUGGP-UHFFFAOYSA-N 299.168 2.158 50 40 CEGB CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392460 QUZFLOYTBPZMRP-JTQLQIEISA-N 290.791 2.083 50 40 CEGB C/C(=N\NC(=O)c1ccccc1)c1sc(N)nc1C 16887166 PWFACOGKIFELDL-CXUHLZMHSA-N 274.349 2.188 50 40 CEGB COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1O 61664 MOVJGFNVOKWKTM-RIYZIHGNSA-N 266.297 2.259 50 40 CEGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1cc2c(s1)CCC2 12735310 OCNPIMUPYKOVHG-SNVBAGLBSA-N 290.388 2.354 50 40 CEGB COC(=O)C1=C(CCl)N(C)C(=O)N[C@H]1c1ccccc1 6664611 RGVQYRBRALOHMC-LBPRGKRZSA-N 294.738 2.049 50 40 CEGB COc1ccc(C(=O)N/N=C2/CCn3cccc32)cc1OC 83957557 WOQFZBZFURIUIE-ATVHPVEESA-N 299.330 2.043 50 40 CEGB C[Si](C)(CCC(=O)O)O[Si](C)(C)CCC(=O)O 195751667 DTPJJCQDHGWTNX-UHFFFAOYSA-N 278.453 2.363 50 40 CEGB Cc1ccc(C(=O)[C@@H](Br)CC(=O)O)cc1 3268094 AFLMNHCSODTMON-VIFPVBQESA-N 271.110 2.416 50 40 CEGB CC(=O)c1sc(NC(=O)CCl)c(C#N)c1C 59925401 ZTHQLQGXVAJSQC-UHFFFAOYSA-N 256.714 2.308 50 40 CEGB CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1 34373473 XRUBVPBDWPIFBV-AWEZNQCLSA-N 299.286 2.438 50 40 CEGB O=C(CCl)N1CC[C@H](N(Cc2ccccc2)C2CC2)C1 79415064 YUHPLKKYXYAOKA-HNNXBMFYSA-N 292.810 2.491 50 40 CEGB CCCCn1c(Cc2ccccc2)ccc1C(=O)NN 226027742 VZMHUTWCTLZUHV-UHFFFAOYSA-N 271.364 2.483 50 40 CEGB N#CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 8079752 XNFFRCANSVJUBJ-WOJGMQOQSA-N 295.298 2.058 50 40 CEGB O=C(O)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 43298 UCFKNSHTPOZLDF-RQZCQDPDSA-N 286.262 2.288 50 40 CEGB Cc1ccc(C(=O)NN/C=C/C(=O)C(C)(C)C)cc1 3158035 LQLXFNMSYCWGAU-MDZDMXLPSA-N 260.337 2.358 50 40 CEGB C=CCn1c(/N=C(\O)CCl)c(C(N)=O)sc1=S 53944196 WSUKEGQYKNTHAH-UHFFFAOYSA-N 291.785 2.391 50 40 CEGB C[C@]12CC[C@H](/C(=N/O)C1=O)[C@@]2(C)CBr 100747110 ZJBLURFKNIAZMR-AVCBLVGDSA-N 260.131 2.217 50 40 CEGB ICN1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 104070058 STJLIHPXXWJOIP-AXTSPUMRSA-N 275.133 2.133 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)o2)cc1 408726431 NQXXIHRDSLVHTP-MHWRWJLKSA-N 287.319 2.118 50 40 CEGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(O)c1 9885651 IIXYFSQQWCQZHJ-UHFFFAOYSA-N 290.706 2.120 50 40 CEGB CC[C@H](C)/C(C)=N/NC(=O)[C@@H]1COc2ccccc2O1 5859532 CFYRRZXQPMFGEH-XZJSRCNBSA-N 276.336 2.365 50 40 CEGB COC(=O)/C(C#N)=C\c1c(OC)[nH]c2ccccc12 448271 OBORSXCIVANASK-CLFYSBASSA-N 256.261 2.256 50 40 CEGB CC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1 100923029 YQIMEDNTGZVBNS-OVCLIPMQSA-N 267.716 2.181 50 40 CEGB COc1cc(OC)cc(C(=O)N/N=C\c2ccoc2)c1 32578312 HRPLZBGEUNSYDC-NVNXTCNLSA-N 274.276 2.061 50 40 CEGB O=C1CCC/C(=N/NC(=O)NC2CCCCC2)C1 101892370 GUKKWKBZWQKGMH-PTNGSMBKSA-N 251.330 2.117 50 40 CEGB O=C(O)C[C@@H](SSCc1ccccc1)C(=O)O 1596099 ULHKCUJOONCJHB-SECBINFHSA-N 272.347 2.496 50 40 CEGB N#CC1=C(C#N)CC[C@@]2(C#N)[C@@H]3C=C[C@H](O3)[C@]2(C#N)CC1 104042213 LRINLJPBDITLDH-CAOSSQGBSA-N 276.299 2.261 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2)cc1C 6427076 RNSUSMFRSQLBGP-UHFFFAOYSA-N 268.316 2.378 50 40 CEGB COc1ccc(C(=O)N/N=C(\C)c2ccc(N)cc2)cc1 4719297 ZIQHKSGKHMULCI-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB CCCCN1C(=O)/C(=N\NC(=O)C2CC2)c2ccccc21 8104797 GMCGKARDNJMVIV-VKAVYKQESA-N 285.347 2.064 50 40 CEGB C=CCOc1c(/C=C(/C#N)C(N)=S)cccc1OC 408542993 MGCOBTLFFXGSJT-FLIBITNWSA-N 274.345 2.453 50 40 CEGB O=C(CN(C(=O)CCl)C1CC1)c1cccs1 79436155 BYFBEMZBXNKZBZ-UHFFFAOYSA-N 257.742 2.161 50 40 CEGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1O 95938641 TZRJYJHLLKINNB-PDGQHHTCSA-N 298.342 2.484 50 40 CEGB BrC[C@H]1CSc2nnc(-c3cccnc3)n21 12810476 XCMQHIXDBSSJKY-QMMMGPOBSA-N 297.181 2.382 50 40 CEGB N#CCC(=O)N/N=C/c1nc(-c2ccccc2)oc1Cl 3155962 ROJIZSZULKOATP-LZYBPNLTSA-N 288.694 2.359 50 40 CEGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccccc1 4713207 SLPPOOLBPMTAFQ-UHFFFAOYSA-N 298.264 2.490 50 40 CEGB CCCC/C(C)=N/NC(=O)C(=O)Nc1ccccc1F 59434102 GLNHZZYVQRTUIA-LICLKQGHSA-N 279.315 2.447 50 40 CEGB CCOC(=O)N/C=C(\C#N)c1ccc(OC)c(OC)c1 62720321 UTALDRNFNSKSAN-PKNBQFBNSA-N 276.292 2.314 50 40 CEGB CC(C)Cc1ccc(CN2CCC[C@@H](C(=O)NN)C2)cc1 14628685 ZHCIOIKAMQXVEB-MRXNPFEDSA-N 289.423 2.087 50 40 CEGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccncc1 4864649 MXAUQIXJTDHJSZ-YBFXNURJSA-N 293.330 2.192 50 40 CEGB CC1=C(C#N)[C@@H]2C(=C(C)N1)C(N)=Nc1ccccc12 31861077 WDPDPVNIDDCTTK-CQSZACIVSA-N 250.305 2.447 50 40 CEGB O=C(CSc1ncccn1)NN=C1CCCCCC1 67003 DNGJIUKPOJVBNX-UHFFFAOYSA-N 278.381 2.395 50 40 CEGB N#C/C(=C\c1ccoc1)C(=O)NCc1ccc2c(c1)OCO2 17023932 YGESRPTZCDRENZ-WLRTZDKTSA-N 296.282 2.232 50 40 CEGB C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc(N)cc1 8567044 FUNIZDPUPRPUOB-LICLKQGHSA-N 285.351 2.269 50 40 CEGB CCCOCC1(c2nc(O)cc(CCl)n2)CC1 217794733 ZEUKCWMNWGJECD-UHFFFAOYSA-N 256.733 2.379 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 136854342 KRWVMPMOIJUORO-COPLHBTASA-N 276.380 2.316 50 40 CEGB CC1(C)CC(=O)[C@H]2C(CCBr)=NN[C@@H]2C1 228924218 KAMLPGGPUQBRKW-SCZZXKLOSA-N 273.174 2.105 50 40 CEGB NNC(=O)CCc1ccc(OCc2ccccc2F)cc1 226345221 OSLSFHMAHLPKAG-UHFFFAOYSA-N 288.322 2.327 50 40 CEGB COC(=O)[Si](C)(C)O[Si](C)(C)C(=O)OC 195754653 WAIBZGPKJRPWLH-UHFFFAOYSA-N 250.399 2.109 50 40 CEGB O=C(NNc1ccc(C(F)(F)F)cc1)C1CCNCC1 228932406 LLKZQPDPPPADFC-UHFFFAOYSA-N 287.285 2.148 50 40 CEGB CO[C@]12CCCC3(OCCO3)[C@H]1[C@H](Cl)[C@@H]2Cl 5049662 QXASNTBOHVRXSO-AATLWQCWSA-N 267.152 2.143 50 40 CEGB CC1=C(C#N)C(c2ccc(O)c(O)c2)C(C#N)=C(C)N1 19594398 VTXDAGTZWMJVGJ-UHFFFAOYSA-N 267.288 2.380 50 40 CEGB COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O)c1C 2643742 ADCFQGFVVSLIGN-KUKWCLJQSA-N 262.309 2.304 50 40 CEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8973129 FVIPZDFKQWHLSD-CQSZACIVSA-N 296.330 2.335 50 40 CEGB COc1ccc(OCC(=O)OCCBr)cc1 1677850 FIGGCWIISVXLAQ-UHFFFAOYSA-N 289.125 2.012 50 40 CEGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccnc2ccccc12 104284307 WUHQDOPBKHBJIG-KPKJPENVSA-N 271.283 2.402 50 40 CEGB COc1c(Br)cc(C(C)C)cc1C(=O)NN 57339251 VCFNCIISKNQFCB-UHFFFAOYSA-N 287.157 2.185 50 40 CEGB CC(C)(C)NC(=O)/N=C(\C(Cl)Cl)N1CCOCC1 59722819 PAFHFXBQRHXRHG-NTEUORMPSA-N 296.198 2.029 50 40 CEGB Cc1ccccc1NC(=O)C(=O)NN=C1CCCCC1 59486854 DXPCBWQXOVTJFH-UHFFFAOYSA-N 273.336 2.370 50 40 CEGB O=C(COc1ccccc1Cl)NN=Cc1ccncc1 11582381 IJVGXGRKJOGKSS-UHFFFAOYSA-N 289.722 2.264 50 40 CEGB Cc1cccc(C(=O)NNC(=O)C2CCCCC2)c1 6860286 WHVAMRLEJSGJQG-UHFFFAOYSA-N 260.337 2.336 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccco2)c1OC 19798320 NHEXRCBEXLTPBA-DHDCSXOGSA-N 274.276 2.061 50 40 CEGB C[C@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(F)cc21 223195800 PEYNAIFVBAHZSO-VHSXEESVSA-N 279.359 2.296 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccco2)cc1[N+](=O)[O-] 8043468 FTFAAHGQXKFNNZ-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB O=C(Cc1ccccc1)NNc1ccccc1[N+](=O)[O-] 4953841 MPZCEKLZDKJMMJ-UHFFFAOYSA-N 271.276 2.281 50 40 CEGB C=CCOc1ccc(/C=N/NC(=O)CC#N)cc1OCC 3660943 UEMXQXXDRSDUQL-GZTJUZNOSA-N 287.319 2.014 50 40 CEGB COc1ccc(C/C(C)=N/NC(=O)c2ccncc2)cc1 13545754 PYRMDSIEVHGAQM-LDADJPATSA-N 283.331 2.439 50 40 CEGB Cc1cccc(NCC(=O)NNC(=O)c2ccccc2)c1C 15085563 UEIFNOMBVWLQGD-UHFFFAOYSA-N 297.358 2.177 50 40 CEGB Cn1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)n1 132246 GFPKXBGTKNEDQD-LICLKQGHSA-N 294.314 2.043 50 40 CEGB N#CC1=C2SCCN2C(=O)[C@H](C#N)C12CCCCC2 245796 GGSWTWGDZHIJTB-JTQLQIEISA-N 273.361 2.401 50 40 CEGB O=C(OC[C@@H](Cl)CCl)c1ccc(O)c(O)c1 1747234 XCQITELFZQNIME-ZETCQYMHSA-N 265.092 2.101 50 40 CEGB Cc1cc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)o1 103454448 NOAXXVNBPSGERC-RWMBFGLXSA-N 290.363 2.484 50 40 CEGB Cn1cccc1[C@]1(C#N)C(C#N)=C(N)c2c(F)cccc21 4002564 WRGNILBISGIWBE-INIZCTEOSA-N 278.290 2.181 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)[C@H]1COc2ccccc2O1 13510123 WKSFUITYOGAFQK-CLXYIWAZSA-N 297.314 2.027 50 40 CEGB CCOC(=O)c1cc(C(=O)Cl)n(CC(C)C)n1 408717530 GBZQGZSBHDKZEH-UHFFFAOYSA-N 258.705 2.095 50 40 CEGB CN(CCCOc1ccc(F)cc1)C(=O)CCl 41690193 STJIZAGLTYLJTA-UHFFFAOYSA-N 259.708 2.292 50 40 CEGB in-vitro N#Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 257063 KFUIEUOCEOCRGW-LICLKQGHSA-N 294.270 2.230 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)o1 5618431 IGRJVMVLNXSVCA-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB C#Cc1ccc(OCC(=O)N/N=C/c2cccs2)cc1 16136186 SOTQNRNGONLWIC-MHWRWJLKSA-N 284.340 2.259 50 40 CEGB CCCCCCCCS(=O)(=O)C[C@H](O)CCl 100243470 KDPQNSVJEOYBHU-LLVKDONJSA-N 270.822 2.361 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1ccccc1Br 59333825 HSRXTMHNSZKZGB-YFHOEESVSA-N 279.137 2.444 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1 20786028 RVQGIYQNRBVDBU-KNAFEEHXSA-N 269.348 2.475 50 40 CEGB CCN(C(=O)CCl)[C@H]1CCN(Cc2ccccc2)C1 79393698 GWWWUINMIDAMDY-AWEZNQCLSA-N 280.799 2.348 50 40 CEGB CCCn1c(Cc2ccc(C)cc2)ccc1C(=O)NN 226029376 VHQSYWCNCOPQOL-UHFFFAOYSA-N 271.364 2.401 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2c(F)cccc2F)n1 69383251 ZXGCHPOSQBOTRB-UHFFFAOYSA-N 278.262 2.129 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)Cc2ccccc2)cc1 33345726 BHJHJBVNUSBAPD-AQTBWJFISA-N 281.359 2.445 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1cccs1 33329316 XOBKQXWELZJWOL-ZROIWOOFSA-N 260.318 2.277 50 40 CEGB O=C(O)CC[C@H](Br)C(=O)c1ccccc1 1705701 VSRWEJNGQWEPPH-VIFPVBQESA-N 271.110 2.498 50 40 CEGB CCOC(=O)C(=O)/C(C#N)=C/Nc1ccc(Cl)cc1 100923602 RDSLLTOXOSRSPR-CMDGGOBGSA-N 278.695 2.292 50 40 CEGB CS(=O)(=O)SCCCCCCCC(=O)O 22062045 CLHFYHOFMNNBIY-UHFFFAOYSA-N 254.373 2.104 50 40 CEGB in-vitro CCN(c1ccc(C(=O)NNC(=O)C2CC2)cc1)C(C)C 63875162 TUWLTUMPMOQNLS-UHFFFAOYSA-N 289.379 2.092 50 40 CEGB COc1ccc(Cl)cc1N/C(SC)=C(/C#N)C(N)=O 67172696 IVVHBWAXVAOHKZ-XYOKQWHBSA-N 297.767 2.344 50 40 CEGB C[C@@]12CC[C@@H](/C(=N\O)C1=O)[C@]2(C)CBr 253390702 ZJBLURFKNIAZMR-ADJRROFGSA-N 260.131 2.217 50 40 CEGB Cc1ccsc1/C=N/NC(=O)CSc1ncccn1 58918794 HMYWSZBHERYTJS-VIZOYTHASA-N 292.389 2.089 50 40 CEGB CC[C@@H](Br)C(=O)N(C)CCc1ccccn1 61487700 QHFJKZGLYUJSDM-LLVKDONJSA-N 285.185 2.256 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 57787484 IRPXVIDELDINGN-VCHYOVAHSA-N 267.263 2.461 50 40 CEGB CCCOc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1 3335155 PQJKLRMSHBTHDJ-WOJGMQOQSA-N 299.330 2.340 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(Br)cn1 7697269 URYJMJBWHHCMCW-SOFGYWHQSA-N 296.124 2.227 50 40 CEGB Cc1cc(C)nc(NNC(=O)Nc2ccc(F)cc2)n1 16500172 VVDKFVNQRXZMBK-UHFFFAOYSA-N 275.287 2.381 50 40 CEGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1cnccn1 19850237 MXRKRHOWBSDFDS-OCKHKDLRSA-N 292.298 2.099 50 40 CEGB COC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(C)c1C 96298398 HJMFXOGNPKARRH-AZZDOICSSA-N 272.348 2.362 50 40 CEGB Cc1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1 225253764 GYNYSIFFKLRXPO-UHFFFAOYSA-N 266.304 2.142 50 40 CEGB CC1(C)CC(O)=C/C(=N/NC(=O)c2ccncc2)C1 100885264 OGKWBPLSDSCDRT-WJDWOHSUSA-N 259.309 2.429 50 40 CEGB O=C1C(=O)N(CCCCBr)c2ccccc21 4843886 YVKQIZORCPVLTC-UHFFFAOYSA-N 282.137 2.391 50 40 CEGB Cc1cc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)o1 103454447 NOAXXVNBPSGERC-AVGNSLFASA-N 290.363 2.484 50 40 CEGB CCn1c(C)cc(/C=C(\C#N)C(=O)OCCOC)c1C 170869578 VFARCJHBPSFHRR-NTEUORMPSA-N 276.336 2.221 50 40 CEGB CC(=O)NNC(=O)c1ccc(SC(F)(F)F)cc1 48449778 UNMHRIXHUAWCGV-UHFFFAOYSA-N 278.255 2.079 50 40 CEGB O=C(NN=C1CCN(C2CCCCC2)CC1)C1CC1 63356896 HGIHLTNKANLQEW-UHFFFAOYSA-N 263.385 2.297 50 40 CEGB CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccccc1F 4402057 YZFZBXULSOVDPX-DWTJURIWSA-N 293.342 2.236 50 40 CEGB NNC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 216935157 LXGZIUFTDFWEBM-UHFFFAOYSA-N 280.283 2.064 50 40 CEGB C=CCOc1ccc(/C=N/NC(N)=O)cc1Br 211995900 FOIAVEQCKZUDFQ-VGOFMYFVSA-N 298.140 2.016 50 40 CEGB CC1=C[C@]2(Nc3cc(Cl)ccc3O2)C(C#N)=C(N)O1 40545229 CUXIURRIFOGZTM-CYBMUJFWSA-N 275.695 2.468 50 40 CEGB OB(O)c1ccc(-c2ccccc2)cc1C(F)(F)F 209842550 NARXNKQZKSMEQI-UHFFFAOYSA-N 266.027 2.052 50 40 CEGB C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(N)cc1 17008974 HEYJXDNEWAPBFG-WOJGMQOQSA-N 283.331 2.437 50 40 CEGB COC(=O)c1ccc(OC)c(OCCCCl)c1 68603358 ATTKOTWDBRBING-UHFFFAOYSA-N 258.701 2.490 50 40 CEGB Cc1cc(C)cc(N2C[C@H](C(=O)Cl)CC2=O)c1 45952269 JVKSTRGFKAEUHZ-SNVBAGLBSA-N 251.713 2.422 50 40 CEGB O=C(N/N=C/C#Cc1ccccc1)c1ccccc1[N+](=O)[O-] 2157606 RZLJVIBYKZNGDB-SFQUDFHCSA-N 293.282 2.362 50 40 CEGB O=C(CCl)Nc1ccccc1C(=O)N1CCSCC1 152804 UQIUWXVYNAZKNA-UHFFFAOYSA-N 298.795 2.053 50 40 CEGB Cc1ccc(-c2ccc(/C=N/NC(N)=O)o2)cc1[N+](=O)[O-] 103659874 FYUAKOAXFFIPJG-VIZOYTHASA-N 288.263 2.165 50 40 CEGB C/C(=N/NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 16712354 BVXAUXSGCXSOGZ-YBEGLDIGSA-N 284.275 2.144 50 40 CEGB Cn1cccc1/C=N/NC(=O)c1ccc(Cl)cc1 36159449 XZQTXYBBXYJBTB-OQLLNIDSSA-N 261.712 2.442 50 40 CEGB COC(=O)C[P+](C)(c1ccccc1)c1ccccc1 95748052 GIWROHWICIELET-UHFFFAOYSA-N 273.292 2.458 50 40 CEGB COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O)c1C 2643740 ADCFQGFVVSLIGN-FYTLYHSASA-N 262.309 2.304 50 40 CEGB O=C(OCCBr)c1ccc2c(c1)OCCO2 3895955 LOSWJHLMSMENOW-UHFFFAOYSA-N 287.109 2.010 50 40 CEGB CC[C@@H](Oc1c(Cl)cccc1Cl)C(=O)NN 6603619 WDHQNCOSYOLCNW-MRVPVSSYSA-N 263.124 2.141 50 40 CEGB CN(C)c1cccc(-c2ccc(C(=O)NN)cc2)c1 71405358 UTKWCKOZPPXRMF-UHFFFAOYSA-N 255.321 2.023 50 40 CEGB ClCc1nnc2cc(-c3nc(C4CC4)no3)ccn12 96516529 SPBZCRXYHYNGFU-UHFFFAOYSA-N 275.699 2.396 50 40 CEGB CCc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 5633931 BYQKBEKUVCCIHD-UHFFFAOYSA-N 282.343 2.253 50 40 CEGB Cc1cc(C(=O)N/N=C\c2ccc(O)cc2O)c(C)o1 57456603 QJHZPXYRRUHJTC-CHHVJCJISA-N 274.276 2.072 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC)cc1C 408816234 YBFCCGCGICHUQD-GXDHUFHOSA-N 288.347 2.063 50 40 CEGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccco1 5070616 ZFKGOGXVYWRWQM-OQLLNIDSSA-N 288.332 2.072 50 40 CEGB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCl 9256660 YNQPADNKHFEYCI-UHFFFAOYSA-N 263.728 2.070 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1[C@@H](C)c1ccccc1 193177370 FNZMVFGRRAAJKX-NSHDSACASA-N 257.337 2.318 50 40 CEGB COC(=O)c1ccc(OCCCCl)c(OC)c1 22012710 SJSPWXDMJNLLKK-UHFFFAOYSA-N 258.701 2.490 50 40 CEGB CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 6411649 QCEUYZONIABHLN-VIFPVBQESA-N 289.316 2.296 50 40 CEGB CN(C)CC(=O)NN=C(c1ccccc1)c1ccccc1 5679871 JNAKQFKIWDYRCC-UHFFFAOYSA-N 281.359 2.117 50 40 CEGB COCc1cc(C)nc(NNC(=O)c2ccccc2)c1C#N 33735334 RFVRHQFWLZGIDY-UHFFFAOYSA-N 296.330 2.165 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1ccc2c(c1)OCO2 179735 OYTFTYXFAYZEJQ-VGOFMYFVSA-N 264.281 2.274 50 40 CEGB Cc1cccc(/C=N/NC(=O)c2ccccc2O)c1 498227 DHGUNDUQDIQPQH-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB C[C@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 5354027 MVMJCTRTLGXJRA-LURJTMIESA-N 273.086 2.317 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1O 493611 FUIBNAXAKXAAAV-LICLKQGHSA-N 284.315 2.473 50 40 CEGB Cc1ccc(OCc2ccc(C(=O)NN)cc2)cc1 9262476 XSYDDQUIESDLEI-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB COC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 4780038 JQUWPCQMVUZARZ-NTEUORMPSA-N 288.263 2.075 50 40 CEGB CN(C)N1C(=C(C#N)C#N)[C@@H](c2ccccc2)C[C@@H]1C#N 492577 AMENDCIFUITQOR-HUUCEWRRSA-N 277.331 2.146 50 40 CEGB O=C1[C@@H]2C[C@@H]3C[C@@H]1C[C@@H](C3)[C@@H]2I 104200170 PLSIVLGZSAHBHL-CBHQDSPSSA-N 276.117 2.425 50 40 CEGB Cn1cccc1/C=N\NC(=O)COc1ccccc1Cl 33328517 FTUKKCKOKNMIBC-SXGWCWSVSA-N 291.738 2.208 50 40 CEGB O=C(CCl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 79420805 ZCKHOAJUWZAZQU-UHFFFAOYSA-N 268.700 2.325 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1cccc(C)c1 96518969 DVGSPBNDKFXIHY-GHMZBOCLSA-N 262.758 2.028 50 40 CEGB O=C(CCl)NCC1(c2ccccc2)CCOCC1 38341988 HKCPYFYZPRQFBR-UHFFFAOYSA-N 267.756 2.090 50 40 CEGB in-vitro CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C#N)cc1 59252 UHPYXFLALGEGOQ-OAHLLOKOSA-N 279.299 2.229 50 40 CEGB COc1cc2ccccc2cc1C(=O)NNC(=O)C1CC1 14240062 ZUPBIJMEUQIOBC-UHFFFAOYSA-N 284.315 2.019 50 40 CEGB COC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C 84079627 NUPILPGLGYYPEU-NHXNDTTKSA-N 288.347 2.364 50 40 CEGB Cc1cc(C(=O)NN)ccc1-c1cc2ccccc2oc1=O 216935211 BSGIHIWGKDSPDL-UHFFFAOYSA-N 294.310 2.372 50 40 CEGB O=C(CBr)c1cccc(N2CCOCC2)c1 89211647 QBHJWJCPRJNDCN-UHFFFAOYSA-N 284.153 2.101 50 40 CEGB O=C(COc1ccccc1)NN=C(CCl)CCl 100244325 JPQUVPRCYHQKPU-UHFFFAOYSA-N 275.135 2.015 50 40 CEGB O=C(NNc1ncnc2ccccc12)c1ccccc1 4387671 LLUIQPLNNFHKIS-UHFFFAOYSA-N 264.288 2.387 50 40 CEGB COc1ccccc1OCC(=O)N/N=C(\C)C(C)C 5416052 JCGMBTRXWVOPKN-RVDMUPIBSA-N 264.325 2.222 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 45952447 PCEFFCBANOQFFE-SSDOTTSWSA-N 258.104 2.458 50 40 CEGB CC(=O)OCc1c(C)cc(C)c(/C=C(/C#N)C(N)=O)c1C 13111884 QTQVPQBTHHKSGL-MLPAPPSSSA-N 286.331 2.067 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OC 231222 PJXFAEPIUQCELA-MHWRWJLKSA-N 288.303 2.451 50 40 CEGB Cc1cccc(C(=O)NNC(=S)NCc2ccccc2)c1 420645 VQRRTSSWSLSXOF-UHFFFAOYSA-N 299.399 2.304 50 40 CEGB Cc1ccccc1OCC(=O)NN=C(CCl)CCl 100244330 OETNXRSVOGWEMD-UHFFFAOYSA-N 289.162 2.324 50 40 CEGB O=C(CCCCl)Nc1ccccc1N1CCOCC1 3116957 OTSJPQYBXQNUOO-UHFFFAOYSA-N 282.771 2.481 50 40 CEGB Cc1c(C(=O)N/N=C/c2cccs2)nc2ccccn12 12570078 OJJGVXZHZSDSCS-OQLLNIDSSA-N 284.344 2.468 50 40 CEGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1 408589312 LGWCJJLKUSWGLW-VCHYOVAHSA-N 299.330 2.338 50 40 CEGB O=C(Cl)c1ccc(CN2C(=O)c3ccccc3C2=O)o1 2577941 VXPAGTWHQPHDEE-UHFFFAOYSA-N 289.674 2.455 50 40 CEGB N#CCC(=O)N/N=C(/c1ccccc1)c1ccc(N)cc1 4235711 UHNYGQJAXCAUPP-SILNSSARSA-N 278.315 2.051 50 40 CEGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 8063048 SKVNJLJDIGKOAC-YBFXNURJSA-N 297.289 2.492 50 40 CEGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1 48886 DVICJWMBBNFJRE-LBPRGKRZSA-N 284.271 2.068 50 40 CEGB CC1CCC(C(=O)O)([C@H](Br)C(=O)O)CC1 1651949 BDAGAQZEGHYUJP-PRZNWYJVSA-N 279.130 2.116 50 40 CEGB in-vitro COc1cccc(C(=O)N/N=C/c2ccccc2C(=O)O)c1 59148218 HKBDDLXFEDAXBU-LICLKQGHSA-N 298.298 2.157 50 40 CEGB COC(=O)c1ccc(CBr)c(C(=O)OC)c1 34410155 ANRZBUXUDASAAN-UHFFFAOYSA-N 287.109 2.155 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cn1 30802864 QLLNALPSGZBJKN-PXNMLYILSA-N 284.275 2.062 50 40 CEGB N#C/C(=C/c1ccc(Cl)s1)C(=O)N1CCOCC1 564258 JKRSOXPDWRXTBX-CLFYSBASSA-N 282.752 2.167 50 40 CEGB CCOC(=O)NNC(=O)c1ccc(CSC(F)F)o1 30578920 FGRVKHDXNSKWJV-UHFFFAOYSA-N 294.279 2.126 50 40 CEGB CCOC(=O)c1sc(NC(=O)[C@@H](C)Cl)nc1C 20203813 WIEFELXTRORUBY-RXMQYKEDSA-N 276.745 2.194 50 40 CEGB Cc1cc(Cl)ccc1OCC(=O)NNC(C)C 35653702 RNDNWPSYYWIMJW-UHFFFAOYSA-N 256.733 2.056 50 40 CEGB Cc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1 12742395 HFVIPVLSITZNBR-UHFFFAOYSA-N 286.306 2.138 50 40 CEGB Cc1ccc(OCc2ccc(C(=O)NN)cc2)cc1C 2568619 WJYNEOUJERMCQP-UHFFFAOYSA-N 270.332 2.486 50 40 CEGB O=C(CN1CCCC1)N/N=C/c1ccc(-c2ccccc2)o1 4525835 HRNNOPSLJXAHSM-LDADJPATSA-N 297.358 2.493 50 40 CEGB O=C(N/N=C\c1c[nH]nc1-c1ccccc1)c1ccncc1 68719698 WQQWOPMASNUPCR-ODLFYWEKSA-N 291.314 2.236 50 40 CEGB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCl 34925359 DABNUAPLFQXLSA-UHFFFAOYSA-N 280.711 2.440 50 40 CEGB Cc1cc(SCCC(=O)NN)nc2ccccc12 27241040 VCPFADYOWGRZBM-UHFFFAOYSA-N 261.350 2.015 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(C)o2)c1 5177102 GDPIYHUPEWZQMC-CXUHLZMHSA-N 285.303 2.310 50 40 CEGB O=C(NN=C1CCCCC1)c1cc(C(F)(F)F)n[nH]1 17007249 YPUAIGMBYHXPEY-UHFFFAOYSA-N 274.246 2.478 50 40 CEGB CCOC(=O)/C(C#N)=C\c1cc(OC)cc(OC)c1 33364541 XQYIEYWLUZICRD-WZUFQYTHSA-N 261.277 2.174 50 40 CEGB Cc1cc(C(=O)N/N=C2\CCSC2)ccc1[N+](=O)[O-] 370372 FGRMYDTUGLUWKK-JLHYYAGUSA-N 279.321 2.126 50 40 CEGB CCCCOc1ccc(S(=O)(=O)NCCCl)cc1 4713683 YQPORJOSKBLGQJ-UHFFFAOYSA-N 291.800 2.383 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccncc2)c1 6660016 VCSCJFMFFIUINQ-ZDUSSCGKSA-N 283.331 2.308 50 40 CEGB CC(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1 573101 BAOBYEQEWQWBTB-LFIBNONCSA-N 270.336 2.013 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(CC)cc1 6389047 ZSYTYGWJVPHFFJ-UHFFFAOYSA-N 265.382 2.367 50 40 CEGB CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)c1cccc(F)c1 4402059 RZSASZSYXGVIHQ-DWTJURIWSA-N 293.342 2.236 50 40 CEGB COC(=O)/C=C1\CCCCCN1C(=O)[C@H](C)Cl 96528482 ZIITXYQEHICHKT-WKMLFNHBSA-N 259.733 2.073 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1O 15231297 ZSJXZNQNTOPLPF-UITAMQMPSA-N 295.136 2.150 50 40 CEGB O=C(N/N=C/c1c[nH]c2ccccc12)c1n[nH]c2c1CCC2 3209151 VDYKCJRRDRLWCX-GIJQJNRQSA-N 293.330 2.144 50 40 CEGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccncc1 221515 FRDXPZANBPXAKE-XDHOZWIPSA-N 295.342 2.339 50 40 CEGB O=C(N/N=C\c1c[nH]c2ccccc12)C(F)(F)F 57472877 WEYXNOKKBSJUHU-SOFYXZRVSA-N 255.199 2.180 50 40 CEGB N#C/C(=C/c1ccncc1)C(=O)Nc1nccs1 96437699 HJBDSPOQZYHVNB-YFHOEESVSA-N 256.290 2.084 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1ccc(C(=O)O)cc1 33304764 WHCBFNQWDPPSSQ-DHDCSXOGSA-N 288.328 2.139 50 40 CEGB CC(=O)Oc1cccc(C2=NC(=C(C#N)C#N)SC2)c1 35194012 LIQVDEKPJUFUKK-UHFFFAOYSA-N 283.312 2.407 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(F)c(F)c1F 101018313 JISHJNKMEZITCN-VOTSOKGWSA-N 270.210 2.486 50 40 CEGB in-vitro C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccccc1 21791197 HRZFZEASYJNNOA-AAWHYMEISA-N 280.331 2.204 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1ccc([N+](=O)[O-])s1 4714543 XLLTZUJBTCNJIF-GHXNOFRVSA-N 295.345 2.411 50 40 CEGB Cc1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1 8733084 GCWBHOQSJOBTCS-JTQLQIEISA-N 268.744 2.067 50 40 CEGB COC(=O)c1c(C#N)cccc1CBr 98177881 MSXPMFZZUHOIIN-UHFFFAOYSA-N 254.083 2.240 50 40 CEGB N#C[C@H](C(=O)N/N=C/c1ccco1)c1ccccc1 409207016 YQWRBZIALHEWOK-RKPNYOAGSA-N 253.261 2.037 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCCC2)C1 45958753 LEXWYMDUMHBARB-LLVKDONJSA-N 292.766 2.405 50 40 CEGB CC(/C=C\c1ccco1)=N/NC(=O)c1ccncc1 17285798 QUVHKWHEWFRMPK-GASMRJJYSA-N 255.277 2.494 50 40 CEGB COc1cccc(C(=O)NNC(=O)c2ccccc2C)c1 281956 SQLLCKPJKOSGNK-UHFFFAOYSA-N 284.315 2.078 50 40 CEGB N#C/C=C/CSc1nnc(NC[C@@H]2CCCO2)s1 84136761 GQYOESJGWBWCJR-VWCDRPFISA-N 282.394 2.301 50 40 CEGB CC1CCC(C(=O)O)([C@@H](Br)C(=O)O)CC1 1651950 BDAGAQZEGHYUJP-DSQUFTABSA-N 279.130 2.116 50 40 CEGB in-vitro CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9109550 JRCMYKQFTZWLKD-SNVBAGLBSA-N 289.316 2.296 50 40 CEGB CC(=O)Nc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1 31637942 NGZSAXPMJFXZDU-YVLHZVERSA-N 297.314 2.115 50 40 CEGB COc1cccc(/C=N/NC(=O)NC2CCCCC2)c1O 3222465 DRIIZIRKUZBYRM-MHWRWJLKSA-N 291.351 2.367 50 40 CEGB CCn1cccc1/C=C(/C#N)C(=O)NC1CCCC1 409191780 NETPROSUANSTIK-BENRWUELSA-N 257.337 2.474 50 40 CEGB CCOC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 6455072 LXDVINDJIHTBEA-UHFFFAOYSA-N 264.325 2.375 50 40 CEGB CC(C)c1[nH]nc2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 6498874 YMOULBFPSBIUPB-LLVKDONJSA-N 281.319 2.146 50 40 CEGB CC(=O)Nc1ccc(NC(=O)CCBr)cc1 5631921 NUTLPZHJNHHFQG-UHFFFAOYSA-N 285.141 2.369 50 40 CEGB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 9334759 MGFLXJXSFLCALD-CYBMUJFWSA-N 297.289 2.041 50 40 CEGB Cc1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1 32639066 ZAYBOHZHQUPBKZ-PMFHANACSA-N 296.326 2.285 50 40 CEGB ClCc1nnc2ccc(-c3nc(C4CC4)no3)cn12 96516523 QTJCSGSEMGUTFV-UHFFFAOYSA-N 275.699 2.396 50 40 CEGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(N)=O)o1 95952252 QQWYGCRTUSOKPB-IZZDOVSWSA-N 296.282 2.346 50 40 CEGB CC[C@H](Br)[C@H](Br)C(=O)O 100622440 AVZPWBRALFPOPM-IMJSIDKUSA-N 259.925 2.008 50 40 CEGB O=C(CBr)c1cccc2c1OCCCO2 2563863 BQXBGHAIHPQTAW-UHFFFAOYSA-N 271.110 2.426 50 40 CEGB O=C(NNC12CC3CC(CC(C3)C1)C2)c1ccncc1 4689354 VBVCHURULLYEBR-UHFFFAOYSA-N 271.364 2.285 50 40 CEGB NNC(=O)c1cn(C(=O)c2cccc(F)c2)c2ccccc12 216953836 YKNJTFMLBINPFY-UHFFFAOYSA-N 297.289 2.072 50 40 CEGB CCCC/C(C)=N\NC(=O)C(=O)NC1CCCCC1 59515677 QBTDRBSAILDZOO-WJDWOHSUSA-N 267.373 2.118 50 40 CEGB COc1ccccc1C(=O)NNc1ncnc2ccccc12 12981337 SBLJSGHDCGOLND-UHFFFAOYSA-N 294.314 2.395 50 40 CEGB COc1cc(/C=C/C(=O)Cl)cc(OC)c1OC 5998973 NFFPFTGFVSWSTH-SNAWJCMRSA-N 256.685 2.491 50 40 CEGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cn2)c1C 409010417 KJYQHWKDZOAIGG-RQZCQDPDSA-N 270.336 2.268 50 40 CEGB Cc1cccc(C(=O)NNC(=O)c2ccccc2F)c1 6034553 ZKIHUMYDFJHLAO-UHFFFAOYSA-N 272.279 2.209 50 40 CEGB O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cnccn1 18087992 NXRIKYCPEHSUOH-KJXRKRIBSA-N 286.722 2.472 50 40 CEGB C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccccc1 188798 CBSNGMLCEBFFMU-DTQAZKPQSA-N 270.336 2.040 50 40 CEGB O=C(NNC(=O)C12CCCC(CCC1)C2)c1cccnc1 1464958 LVXGBNSBTDTFHR-UHFFFAOYSA-N 287.363 2.203 50 40 CEGB N#C[C@@H](Br)Cc1ccc([N+](=O)[O-])cc1 3071202 ATLJGSDPKYTPKJ-QMMMGPOBSA-N 255.071 2.424 50 40 CEGB CC[C@@H](C)C(=O)NNC(=O)c1ccc(N(CC)CC)cc1 22412661 KZZUFOICCRSNSA-GFCCVEGCSA-N 291.395 2.340 50 40 CEGB Cc1ccc(SCC(=O)NN=C2CCN(C)CC2)cc1 58189435 YWEDFKAJCZGYPW-UHFFFAOYSA-N 291.420 2.285 50 40 CEGB O=C(NNC(=O)[C@H]1CC=CCC1)c1c[nH]c2ccccc12 12729180 GJSKCCSYVKYBFW-NSHDSACASA-N 283.331 2.285 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)c1cc[n+]([O-])cc1 45481130 FKUAFMRQSJQBPP-UHFFFAOYSA-N 297.236 2.096 50 40 CEGB CC1=C(C#N)[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N1 14165547 BUERNNJOAKCRRV-SECBINFHSA-N 289.722 2.212 50 40 CEGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O 16492920 XHSKWBGNRHGJFC-GDNBJRDFSA-N 291.310 2.455 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100858739 BLUAFEHZUWYNDE-GRINRYACSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro O=C(CSc1ccccc1F)NNC(=O)C1CCCC1 6428329 MGSREDZLGKLFHM-UHFFFAOYSA-N 296.367 2.255 50 40 CEGB CC(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1 9834507 KCIFPDRACDVHLD-UHFFFAOYSA-N 295.751 2.244 50 40 CEGB CCCc1noc2c1[C@@H](c1ccoc1)C(C#N)=C(N)N2 55008617 ANVKSVYJUJLKDF-NSHDSACASA-N 270.292 2.471 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(O)c1 408764547 JEVZSKUTXNVPSB-LICLKQGHSA-N 284.315 2.473 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2ccccc2)o1 67299902 LOGMVOAGOABKDJ-MHWRWJLKSA-N 253.261 2.310 50 40 CEGB C[C@H](NC(=O)C(=O)NN=C1CCCCC1)c1ccccc1 4832400 VICZZVFCWYNJSK-LBPRGKRZSA-N 287.363 2.300 50 40 CEGB CCc1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1 8733146 MDSNSEPHZOSINU-JTQLQIEISA-N 282.771 2.321 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1OC 30802892 SVPQKFPVDDSNPV-NVMNQCDNSA-N 299.330 2.171 50 40 CEGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)co1 3094706 CSQDLUGNZLQVKA-VGOFMYFVSA-N 273.248 2.260 50 40 CEGB N#C/C(=C(/C(=O)c1ccccc1)[n+]1ccccc1)[C-](C#N)C#N 104833335 MWCRDLXJVMKPQI-WUKNDPDISA-N 298.305 2.213 50 40 CEGB CC[C@H](Br)C(=O)Nc1ccc(O)cc1O 61997455 WKQNMFRQROHXDG-ZETCQYMHSA-N 274.114 2.210 50 40 CEGB C[C@H](Br)C(=O)Nc1ccc2c(c1)OCO2 4736558 ZLIIJJYUCRQVHT-LURJTMIESA-N 272.098 2.137 50 40 CEGB N#C/C(=C\c1ccc(O)c(Br)c1)C(N)=S 408544624 VYXKHORKJACYRR-XVNBXDOJSA-N 283.150 2.348 50 40 CEGB O=C(Cl)c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1 26508958 GYRYTRNJYCDYHX-UHFFFAOYSA-N 299.670 2.482 50 40 CEGB O=C(N/N=C\c1ccccc1)N/N=C\c1ccccc1 31628882 AUOMJAPPVCBXBJ-LSQIQBGYSA-N 266.304 2.354 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(N)c2)cc1 45778 QAKHZLJLXWCUGE-WOJGMQOQSA-N 282.347 2.099 50 40 CEGB COC(=O)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 220067 RPLHYTZDXMEFIX-LDADJPATSA-N 296.326 2.166 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccsc1 339826 MJTSHOBPTMLOFX-GFCCVEGCSA-N 260.318 2.419 50 40 CEGB COC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 101041796 PYWSEEVRSGAIKG-QILRFPOHSA-N 289.169 2.318 50 40 CEGB CCc1sc(C(=O)NNC(=O)c2cccn2C)cc1C 14251254 GLYIGPFBTIPAKR-UHFFFAOYSA-N 291.376 2.032 50 40 CEGB O=C(CCl)c1ccc2c(c1)CCN2C(=O)C1CC1 4966818 DFMUXJRDWXRSKE-UHFFFAOYSA-N 263.724 2.407 50 40 CEGB O=C/C=C\C=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17004798 BKAXRHZDPTUAIN-SJDXMKNESA-N 263.209 2.184 50 40 CEGB CC(C)[C@@H](Br)C(=O)NCc1cccnc1 20565623 WBIAUEBLBSRVTR-SNVBAGLBSA-N 271.158 2.117 50 40 CEGB in-vitro CCOC(=O)N/N=C(\C)CCc1ccc2c(c1)OCO2 20756065 LVNUWOWXIPKGGU-XNTDXEJSSA-N 278.308 2.470 50 40 CEGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(N)=O 374124 GDYBKNBNBYAHKF-FARCUNLSSA-N 271.103 2.394 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(O)cc1 12362343 GFKATHUZHCCVSU-SFQUDFHCSA-N 284.315 2.311 50 40 CEGB CC1(C)CC(=O)C/C(=N\NC(=O)[C@@H]2CC23CCC3)C1 100506208 OSABRNKWWBTFRB-SEJMYLSOSA-N 262.353 2.428 50 40 CEGB COc1ccccc1-c1nnc(NC(=O)CCl)s1 26422215 LICZRDLJNHRBQM-UHFFFAOYSA-N 283.740 2.391 50 40 CEGB Cn1nnc([C@@H](Cl)CC(Cl)(Cl)Cl)n1 2323028 JBMWWDJPAPYKEO-VKHMYHEASA-N 263.943 2.250 50 40 CEGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)O)O[C@@H](C)C2 7155630 RQGLFBOPIQIPAE-NRIUJFNNSA-N 273.288 2.400 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccc(C)o2)c(C)c1 9544335 IPWUVIIDFDBURN-UHFFFAOYSA-N 272.304 2.280 50 40 CEGB COc1cc(Cl)ccc1C(=O)NNC(=O)C(C)(C)C 71832105 YKTGNGOXEKAVOT-UHFFFAOYSA-N 284.743 2.156 50 40 CEGB O=C(CNC1CCCCC1)N/N=C/c1cccs1 409377449 ICWOSEJCTJFBPN-OQLLNIDSSA-N 265.382 2.121 50 40 CEGB O=C1[C@H](Br)CCN1c1cccc([N+](=O)[O-])c1 39002712 OBBVAEDSNFSZGW-SECBINFHSA-N 285.097 2.095 50 40 CEGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1 487172 COQHEWLFTBBBJG-VCHYOVAHSA-N 271.295 2.388 50 40 CEGB CC[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1 25156231 VFQRKCIQSHXQLW-MRVPVSSYSA-N 254.717 2.147 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 3176593 BSVKTRWBJLNNTD-CQSZACIVSA-N 272.279 2.496 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 580970 MPDPQKQMPYVGEV-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB CCOC(=O)N/N=C1/CCCOc2ccc(F)cc21 95947660 PEYWOFSDVNVQJR-PTNGSMBKSA-N 266.272 2.449 50 40 CEGB COc1cc(C)c(/C=N/NC(=O)CC#N)cc1C(C)C 34890581 YADVUTLTCHQFNO-RQZCQDPDSA-N 273.336 2.491 50 40 CEGB Cc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1[N+](=O)[O-] 45953495 VJUYTYHWVVAHNL-MRVPVSSYSA-N 282.683 2.022 50 40 CEGB Cc1ccoc1/C=C(\C#N)C(=O)NCCCOC(C)C 84251023 QZXKXUSYGKRRFX-UKTHLTGXSA-N 276.336 2.426 50 40 CEGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(N)=O)cc1OC 408884639 URGUQMUEFVXSRR-BJMVGYQFSA-N 292.722 2.306 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1ccncc1 408883171 TZOSCKQCSHMWFZ-LICLKQGHSA-N 269.304 2.163 50 40 CEGB O=C(CCl)N1CCN(c2ccccc2Cl)CC1 9913822 RJCXEMSJCSMCHY-UHFFFAOYSA-N 273.163 2.227 50 40 CEGB CCOC(=O)c1cc(NC(C)=O)ccc1SC#N 68675279 NMIJHICMRJRSNF-UHFFFAOYSA-N 264.306 2.395 50 40 CEGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)cc1 109219 UPWNDVWGKATHDB-VCHYOVAHSA-N 297.358 2.273 50 40 CEGB Cc1ccc(OCc2cccc(C(=O)NN)c2)cc1 110559845 OAFMGEAYBYDEMQ-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB Cc1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1 8371656 ALUIGLBMBIWBES-VXLYETTFSA-N 293.370 2.461 50 40 CEGB Cc1ccc(NC(=O)CCl)c(NC(=O)CCl)c1 2748429 XHEAGEIKXDDWRA-UHFFFAOYSA-N 275.135 2.350 50 40 CEGB Cc1cccc(NCC(=O)N/N=C\c2ccccc2O)c1 58981461 IMZSSIBJVGMNDE-ZDLGFXPLSA-N 283.331 2.263 50 40 CEGB COC(=O)/C(C#N)=C(/Nc1ccccc1)N1CCCCC1 104311179 XDXQRIITSBUTGK-PFONDFGASA-N 285.347 2.493 50 40 CEGB Cc1cc(C)c2c(=O)c(/C=N/C(C#N)=C(\N)C#N)coc2c1 2582208 PVXMWMAARJXAHS-UDQFTLDUSA-N 292.298 2.046 50 40 CEGB Cc1ccccc1CC(=O)NNC(=O)c1cccs1 7539908 RABAIIIQOFDGGM-UHFFFAOYSA-N 274.345 2.060 50 40 CEGB CC(C)N(Cc1nccnc1Cl)C(=O)CCl 79435528 KOBTUUNARBFWFQ-UHFFFAOYSA-N 262.140 2.106 50 40 CEGB C/C(CCc1cnc2ccccc2c1)=N\NC(N)=O 5011132 DTZPVSIBEUROFC-LICLKQGHSA-N 256.309 2.212 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1 15231295 VSJUAMAAQMHPPW-UITAMQMPSA-N 279.683 2.243 50 40 CEGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc[nH]1 5567265 QXAGZDRNXLVXDC-CXUHLZMHSA-N 261.712 2.361 50 40 CEGB COC(=O)/C(C#N)=C(/SC)[C@H]1CCCC1=C(C#N)C#N 100993095 NBIGVGUQOPLKDV-UMAGAQSHSA-N 287.344 2.444 50 40 CEGB Cc1ccc(N2CCOCC2)c(NC(=O)[C@@H](C)Cl)c1 34776872 IRCROJZNQDIBPC-LLVKDONJSA-N 282.771 2.397 50 40 CEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccs1 216951458 GJMIDDZEVBTDKL-UHFFFAOYSA-N 299.355 2.303 50 40 CEGB COc1cc(-c2nc(CCl)n[nH]2)cc(OC)c1OC 85385517 XVPLFQUTZJDRGJ-UHFFFAOYSA-N 283.715 2.236 50 40 CEGB O=C(Cl)C1=C[C@@](F)([N+](=O)[O-])[C@H](F)C(F)=C1F 98044324 MDXKFNVIQNUEAY-IYSWYEEDSA-N 259.542 2.123 50 40 CEGB COC(=O)Cc1cc(CBr)ccc1F 169796733 UXNVSGOAHNQYNZ-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB CN(C)P(=O)(NC(=O)c1ccc(Cl)cc1)N(C)C 100920695 SLHOJAPQKFDRSL-UHFFFAOYSA-N 289.703 2.301 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccc(O)cc1 59138192 GIDVPFNHWQLHNW-GZTJUZNOSA-N 299.330 2.349 50 40 CEGB CCOc1ccc(C[C@H](Br)C(=O)O)cc1 107843325 ITQURCBJXHEYEO-JTQLQIEISA-N 273.126 2.476 50 40 CEGB Cc1ccccc1[C@@H]1C(C#N)=C(N)NC(S)=C1C#N 4638399 OFFYHMQOHYATDZ-GFCCVEGCSA-N 268.345 2.041 50 40 CEGB O=C(N/N=C\c1ccccc1C(=O)O)c1ccc(F)cc1 33443716 UHTGMUPPMNVMNG-MFOYZWKCSA-N 286.262 2.288 50 40 CEGB O=C(Cl)C1=C[C@](F)([N+](=O)[O-])[C@H](F)C(F)=C1F 98044326 MDXKFNVIQNUEAY-VDTYLAMSSA-N 259.542 2.123 50 40 CEGB COc1cccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)c1 17024497 YNUFBPJADVEVIH-YAJBTMAUSA-N 298.342 2.269 50 40 CEGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccn1 17024480 UHVMANFMFKTLQX-GZTJUZNOSA-N 298.302 2.452 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc(C)o1 235049 MOUJADTWEBAMDM-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(N)=O 3236353 RMECVTDBUJVFSI-JXMROGBWSA-N 256.236 2.478 50 40 CEGB O=C(C[C@H]1C=CCC1)NNC(=O)c1ccc(Cl)cc1 8074141 WFLNCDXJANBWJC-JTQLQIEISA-N 278.739 2.457 50 40 CEGB N#C/C(=C\c1ccncc1)C(=O)NCc1ccccc1 1001398 JGNYTGFSGUFNSH-XNTDXEJSSA-N 263.300 2.305 50 40 CEGB in-vitro C/C(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=N\NC(N)=O 4266887 BQFQOKZROFZLAI-QCJMPXDZSA-N 297.399 2.425 50 40 CEGB CCOc1ccc2ccccc2c1/C=N/NC(N)=O 7894828 OUICGUPJZJEHNS-CXUHLZMHSA-N 257.293 2.241 50 40 CEGB Cc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2)c1 146528 KWXTUZGGRZPSGU-ZHACJKMWSA-N 280.327 2.469 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1Cl 570415 OMTWPEBCXXOBCN-UHFFFAOYSA-N 289.722 2.118 50 40 CEGB Cc1ccc(NCC(=O)NNC(=O)C2CCCCC2)cc1 12522257 PUZKSNCTCBGOMZ-UHFFFAOYSA-N 289.379 2.135 50 40 CEGB N#C/C(C(=O)NC1CCCCC1)=C1/N=C(N)c2ccccc21 12504717 AIFZQSIGSNYVRO-PFONDFGASA-N 294.358 2.089 50 40 CEGB Cc1ccsc1/C=N\NC(=O)c1[nH]nc2c1CCCC2 1745520 JORPCQGPNZBFBS-NVNXTCNLSA-N 288.376 2.422 50 40 CEGB CC(=O)OC[C@@H](Br)C(F)(F)Br 64370229 SJIVPOQDSUQJKU-SCSAIBSYSA-N 295.905 2.301 50 40 CEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)OC)c1C 96401204 CIQZAZFKJKDPPQ-NTEUORMPSA-N 275.352 2.442 50 40 CEGB C=CCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1 4839064 YBLJJUJKZAXDPG-MKMNVTDBSA-N 256.305 2.455 50 40 CEGB C[C@H](Oc1ccccc1)C(=O)NNCc1ccccc1 35653730 NASFBCGDDHBFNA-ZDUSSCGKSA-N 270.332 2.275 50 40 CEGB CC(/C=N\NC(=O)c1ccc(O)nn1)=C\c1ccccc1 35189311 XTFKSHXCZYJNOV-JXBVNYRQSA-N 282.303 2.001 50 40 CEGB N#Cc1c(CCl)c(C=O)c(=O)n2c1[nH]c1ccccc12 100567639 DWZDEZBSNZVZCJ-UHFFFAOYSA-N 285.690 2.204 50 40 CEGB COc1ccc2oc(=O)c(C(=O)CBr)cc2c1 195510 BDJXKGIFZIIQOZ-UHFFFAOYSA-N 297.104 2.379 50 40 CEGB C/C(=N/NC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1 17201662 ALMUWYRJSIOTBQ-YBEGLDIGSA-N 284.275 2.144 50 40 CEGB O=C(N/N=C/c1ccc(O)c(O)c1)C1CCCCC1 2751761 RKJHHOXULNGRLX-OQLLNIDSSA-N 262.309 2.128 50 40 CEGB CCCC(=O)NNC(=O)c1oc2ccccc2c1C 9605224 BNWZTOHIVLDRCB-UHFFFAOYSA-N 260.293 2.302 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(N3CCCC3)c2)C1 45958210 ZIUSXTXUWYMRLV-NSHDSACASA-N 292.766 2.405 50 40 CEGB O=C1C[C@H]2C(=C(Br)C=C[C@H]2Br)N1 228938598 CJNCKIHILYZYLK-RFZPGFLSSA-N 292.958 2.062 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2cccs2)cc1 585291 OUZYAGRZYGSDMU-OQLLNIDSSA-N 255.302 2.384 50 40 CEGB CC[C@](Br)(C(=O)O)[C@@H](C)Br 1670934 BJIXPDUJLORJJE-INEUFUBQSA-N 273.952 2.398 50 40 CEGB O=C(Cc1c[nH]c2ccccc12)N/N=C1/CCn2cccc21 55350787 GLJPUQKLEOKNBP-CYVLTUHYSA-N 292.342 2.436 50 40 CEGB N#Cc1ccc(OCC(=O)N/N=C/c2cccc(F)c2)cc1 3291858 CERTUJFLIQILAS-VXLYETTFSA-N 297.289 2.226 50 40 CEGB CC(C)(C)OC(=O)N1CCN(C(=S)Cl)CC1 38478256 COZPXIXEOBPGOL-UHFFFAOYSA-N 264.778 2.063 50 40 CEGB CC(=O)Nc1ccc(OCCBr)cc1 5003979 YDRBDDQOSNYXBE-UHFFFAOYSA-N 258.115 2.419 50 40 CEGB O=C(Cn1ccc2ccccc21)N/N=C/c1ccccc1O 14775638 VNUYJLCQDWVFFQ-WOJGMQOQSA-N 293.326 2.497 50 40 CEGB CCOC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1 98850 FYIYSVHMODMIHZ-FNORWQNLSA-N 252.251 2.126 50 40 CEGB COc1ccc(OC)c(N/C=C/C(=C(C#N)C#N)N(C)C)c1 100913232 VOHAFSFYBRQCKN-BQYQJAHWSA-N 298.346 2.492 50 40 CEGB C/C(=N\NC(=O)c1nc(C)cc(C)n1)c1ccccc1 493003 XAKZHPBNDQBHSV-LDADJPATSA-N 268.320 2.247 50 40 CEGB O=C(NNC(=O)c1ccco1)Nc1ccc(Cl)cc1 2742551 GSBGOCOTSUYFAP-UHFFFAOYSA-N 279.683 2.400 50 40 CEGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)NC(C)(C)C 59516007 MJRGEQSBLIHBFT-LDADJPATSA-N 289.379 2.026 50 40 CEGB Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCCC2)c1 6333615 UHSJSRDDLMQPGQ-UHFFFAOYSA-N 290.363 2.020 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1C 408784075 SFLAVQJIGQCMSP-MHWRWJLKSA-N 255.321 2.406 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cn1 30802919 UFDBPVKRUKLYJT-IUXPMGMMSA-N 257.268 2.293 50 40 CEGB Cc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] 211617211 MIYXBMLPTNFYBW-SDQBBNPISA-N 273.292 2.335 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(Cl)cc1 96518933 ODKYVRIQZXQJBD-NXEZZACHSA-N 283.176 2.373 50 40 CEGB COc1cccc(C(=O)NN/C=C/C(=O)C(C)(C)C)c1 5379480 RXZSUDXZLUMDFI-CMDGGOBGSA-N 276.336 2.059 50 40 CEGB COc1cc(C=C(C#N)C#N)c(OC)c(OC)c1OC 85409579 QUSKBYXWBDTHEI-UHFFFAOYSA-N 274.276 2.152 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc(O)cc2O)cc1C 108334182 HFUSHBUEUQBPJW-VCHYOVAHSA-N 298.342 2.407 50 40 CEGB C=CCOc1ccc(/C=N/NC(C)=O)cc1OCC 2056545 FXTLLDQDXVZYME-XNTDXEJSSA-N 262.309 2.120 50 40 CEGB N#CC1=C(N)N(c2ccc(Cl)c(Cl)c2)C(=O)C1 3327181 IFFPFULEVXOTLS-UHFFFAOYSA-N 268.103 2.424 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 3609488 ODSPDCKKROQHTG-UHFFFAOYSA-N 272.279 2.209 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 8228834 PLGNDGZVZXUFOP-LICLKQGHSA-N 298.298 2.157 50 40 CEGB CC1=C(C(=O)NNC(=O)C2CC2)CCC(C)(C)C1 521394665 KFKMLMATKBDKBV-UHFFFAOYSA-N 250.342 2.070 50 40 CEGB O=C(/C=C/c1ccccc1)N/N=C\c1ccncc1 31723651 MUBTWLFFAHUJTJ-QDVYDORWSA-N 251.289 2.245 50 40 CEGB CC1=C[C@]2(Nc3cccc(C)c3O2)C(C#N)=C(N)O1 40545200 XOLJEISLDWJTLM-CQSZACIVSA-N 255.277 2.124 50 40 CEGB CC1=CC(C)(C)N(CC(=O)NN)c2ccc(Cl)cc21 223188714 YGVYUQCBRLMVTQ-UHFFFAOYSA-N 279.771 2.332 50 40 CEGB CCCCC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl 1555548 FUYMKVDABYLDFR-HTRCEHHLSA-N 276.591 2.412 50 40 CEGB CSC1=NC=C(C#N)C2=N[C@H](c3ccccc3)NN12 1582167 AUBPLERNDSREIM-NSHDSACASA-N 269.333 2.044 50 40 CEGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OC 6945226 VLIGERLSRDWPAM-XYOKQWHBSA-N 286.331 2.279 50 40 CEGB O=C(N/N=C/c1ccccc1O)C1SCCCS1 3166201 BFPOBDYFUOHZEZ-MDWZMJQESA-N 282.390 2.039 50 40 CEGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C)on2)c1C 8206306 BUHVXNWSFSBWQT-NTUHNPAUSA-N 284.319 2.044 50 40 CEGB CCOC(=O)c1sc(N)c(C#N)c1CBr 3886602 HRHLZMXUTKCAEU-UHFFFAOYSA-N 289.154 2.274 50 40 CEGB Cc1cc2cc(CNC(=O)CCl)ccc2n1C 4232313 CHILIRVEBCDUCQ-UHFFFAOYSA-N 250.729 2.342 50 40 CEGB CCOc1cc2c(cc1CNC(=O)CCl)O[C@@H](C)C2 4219122 YTYMCNNUFXKNBY-VIFPVBQESA-N 283.755 2.264 50 40 CEGB Cc1cc([N+](=O)[O-])ccc1C(=O)CBr 87224579 XGTICEAUEQYQBN-UHFFFAOYSA-N 258.071 2.481 50 40 CEGB CC1(C)CC(=O)[C@@H]2C(CCCBr)=NN[C@H]2C1 228920182 ZKCBZBYIDMUQDC-GXSJLCMTSA-N 287.201 2.495 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)C1CCCCC1 378963 BZSQXSYFVVRWSZ-UHFFFAOYSA-N 274.364 2.347 50 40 CEGB Cc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c1 8555567 JFWRRQPKLTVAAU-ZSOIEALJSA-N 273.248 2.260 50 40 CEGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(N)=S 3174447 VUNZSSAALVNWBV-YVMONPNESA-N 254.261 2.481 50 40 CEGB O=C(/C=C/c1ccco1)NNC(=O)CCc1ccccc1 1794802 NZZPIIKYSWVAKR-PKNBQFBNSA-N 284.315 2.073 50 40 CEGB Cc1cc(C)nc(NNC(=O)CCc2ccc(C#N)cc2)n1 14514398 GMPMIWAFMUJYIG-UHFFFAOYSA-N 295.346 2.041 50 40 CEGB C[C@@H](I)C(=O)Nc1ccccc1 72226314 OBEYDDXSDXVDLL-SSDOTTSWSA-N 275.089 2.449 50 40 CEGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccco1 83326188 QEKAGJYQOGNVCH-DSQDWWTGSA-N 272.304 2.244 50 40 CEGB NNC(=O)c1cccn1-c1ccccc1C(F)(F)F 223740344 XDSYDHHVBKRDDV-UHFFFAOYSA-N 269.226 2.100 50 40 CEGB O=C(N/N=C/c1ccccc1F)[C@@H](O)c1ccccc1 34040 IDXMCIAMGBQOJR-FBJMNJBLSA-N 272.279 2.009 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc(O)c(O)c2)cc1C 561541 CNNMQNRBTIBDOF-VCHYOVAHSA-N 298.342 2.407 50 40 CEGB S=C(NCCBr)Nc1ccccc1 5741089 PBRPJYHJMVJDLX-UHFFFAOYSA-N 259.172 2.368 50 40 CEGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccco1 5777342 ZTVXFMPVNZGTGY-UHFFFAOYSA-N 294.310 2.437 50 40 CEGB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl 20268507 NXCZZJXJRNCFHV-UHFFFAOYSA-N 298.770 2.111 50 40 CEGB in-vitro CC(C)C(=O)NNC(=O)COc1ccc2ccccc2c1 4713808 FIHKXJAVWTYCGW-UHFFFAOYSA-N 286.331 2.022 50 40 CEGB C[C@@]12C[C@H](Br)[C@H](Br)C[C@@H]1O2 101042414 JVHROALZCZFSSO-JRTVQGFMSA-N 269.964 2.465 50 40 CEGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(O)cc1 100956349 YWLVLBVOPJLINV-CJFFUSRVSA-N 256.305 2.320 50 40 CEGB Cc1occc1C(=O)NNC(=O)Nc1ccc(F)cc1F 5060665 SAKWXCPWSQYDGU-UHFFFAOYSA-N 295.245 2.333 50 40 CEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 31688244 SUXVRLZAKOTYFY-GDNBJRDFSA-N 269.260 2.359 50 40 CEGB Cc1ccc2c(c1)N([C@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260621897 PPHQPEUVMYJLCU-VXGBXAGGSA-N 275.396 2.466 50 40 CEGB Cc1c(/C=C(\C#N)S(=O)(=O)c2ccccc2)cnn1C 17009791 RFKAFWLYIWFUSB-RIYZIHGNSA-N 287.344 2.067 50 40 CEGB N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1cccnc1 18199615 DDZLPXYIKMNGCB-AWEZNQCLSA-N 288.314 2.140 50 40 CEGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccccc1 7894966 SOTJUIKNSKENAC-CXUHLZMHSA-N 256.309 2.096 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)Cc1ccsc1 33028236 RUSMOPFWYJIURL-UHFFFAOYSA-N 274.345 2.060 50 40 CEGB O=C(CCl)Nc1cc(Cl)ccc1-n1cncn1 3426741 VQBLRHXAMVYQPW-UHFFFAOYSA-N 271.107 2.098 50 40 CEGB O=C(NN=C1CCN(c2ccccc2)CC1)C1CC1 84549426 KGOAXCCPORDYHY-UHFFFAOYSA-N 257.337 2.169 50 40 CEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccco1 409370509 RWXMLBPVAIUDJY-WQLSENKSSA-N 255.277 2.375 50 40 CEGB O=C(N/N=C/c1ccsc1)c1cccc([N+](=O)[O-])c1 137762 HRZVQXWTPZKEEM-NTUHNPAUSA-N 275.289 2.420 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1ccccc1C(=O)O 16322913 KSPASDHJCDTHCO-RIYZIHGNSA-N 264.281 2.243 50 40 CEGB CC(C)CNC[C@H](Br)CBr 3164610 VFEPZGMZLVSRCX-SSDOTTSWSA-N 273.012 2.390 50 40 CEGB COc1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1 6961792 WYLCACZIQDHATM-RQZCQDPDSA-N 286.335 2.105 50 40 CEGB COc1cc(NC(=O)CCl)c(Cl)cc1C(=O)O 5660998 DGGCJLVOIUZFLO-UHFFFAOYSA-N 278.091 2.224 50 40 CEGB O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(O)cc1 9459918 HIXNCIKMYOVLDK-UHFFFAOYSA-N 290.706 2.120 50 40 CEGB COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1O 32138876 STXKMTGLPHTARK-XYOKQWHBSA-N 298.298 2.217 50 40 CEGB CCOC(=O)/C(C#N)=C/N=c1\ccn(C)c2ccccc12 289847 IARLRPJFWGKCRF-NBNZOSCDSA-N 281.315 2.050 50 40 CEGB Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 5052131 QXXHGPOEEPMENN-SNVBAGLBSA-N 272.333 2.306 50 40 CEGB COc1ccc(CN2CC[C@H](Br)C2=O)cc1 21997832 IFONEQATKFCJON-NSHDSACASA-N 284.153 2.191 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 254171 WSHHNMHXDJQNAL-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB COc1ccc(Cl)cc1C(=O)NNC(=O)C1CCCC1 2629222 GLXDGHUFVJLUTC-UHFFFAOYSA-N 296.754 2.300 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1ccc(C(=O)O)cc1 6959877 NBUQHSVAWDXZAX-LICLKQGHSA-N 282.299 2.457 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(c5ccccc5)=C[C@@H]43)[C@@H]12 103935968 WRNPURQQOXPFLD-GRKFIILMSA-N 278.307 2.448 50 40 CEGB COC(=O)c1ccc(N2CCO[P@@]2(=O)Cl)cc1O 104389362 NEQYCRIJQUZAIY-SFHVURJKSA-N 291.627 2.362 50 40 CEGB O=C(/C=C/c1cccs1)NNC(=O)c1ccccc1F 7406569 OLRQVMFCTGUHMA-BQYQJAHWSA-N 290.319 2.362 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCC#N 408801737 VMFYUKXSTCMSMA-HLVNSREUSA-N 283.331 2.411 50 40 CEGB O=C(CCl)NCc1ccccc1OC(F)(F)F 12505020 VIRVJTVEHSCLSW-UHFFFAOYSA-N 267.634 2.440 50 40 CEGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1O 6944328 NTGQHGUBYLHYDD-GHXNOFRVSA-N 274.320 2.222 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2ccc(C)o2)cc1 585365 UFLBTWMAEAMJEX-MHWRWJLKSA-N 272.304 2.289 50 40 CEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OC 59333736 UFGWHEOARILXBE-UVTDQMKNSA-N 270.332 2.419 50 40 CEGB COc1ccc(NC(=O)[C@@H](C)Cl)c([N+](=O)[O-])c1 5027133 ZRWAMGVKIUDXTG-ZCFIWIBFSA-N 258.661 2.169 50 40 CEGB CCOc1cc(Br)cc(/C=C(\C#N)C(N)=O)c1 408874945 FPSLLTNLPJBHIZ-YCRREMRBSA-N 295.136 2.240 50 40 CEGB NC(=S)NNC(=O)/C(=C/c1ccccc1)c1ccccc1 62714369 BZLGOECBPLYKAA-SDNWHVSQSA-N 297.383 2.092 50 40 CEGB BrC[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 217844187 KDMRTNGGEQGKOC-MRVPVSSYSA-N 284.109 2.303 50 40 CEGB O=C(N/N=C\c1ccc2c(c1)CCN2)c1cccs1 38185993 LYQVUXCGPIITKI-SXGWCWSVSA-N 271.345 2.480 50 40 CEGB CC(C)OCc1ccc(CNC(=O)CCl)cc1 62146679 RBFXBMSLTDKWLP-UHFFFAOYSA-N 255.745 2.467 50 40 CEGB in-vitro O=c1[nH]c2ccccc2n1CCCBr 166704976 MTCFXOOPGLLIDK-UHFFFAOYSA-N 255.115 2.115 50 40 CEGB in-vitro O=C(N/N=C1/CCSC1)c1cc(Cl)ccc1O 5943843 MQRCYSCXVONNIK-JYRVWZFOSA-N 270.741 2.268 50 40 CEGB CCN(CC)S(=O)(=O)c1ccc(C(=O)Cl)cc1 11848443 UEUFVAGYBMRFMD-UHFFFAOYSA-N 275.757 2.096 50 40 CEGB C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)OCO2 13965491 DTZYATLOVROMRY-LICLKQGHSA-N 298.298 2.275 50 40 CEGB N#Cc1ccc(NC(=O)N(CCCl)N=O)cc1 4896178 SVOUVWBMNXWYOV-UHFFFAOYSA-N 252.661 2.312 50 40 CEGB O=C(Cc1ccccc1)NNC(=O)c1ccccc1Cl 583866 IYNXZFLIVUNTIE-UHFFFAOYSA-N 288.734 2.344 50 40 CEGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)C1CC1 512374 QTSGFPZTRKGUDF-ZHACJKMWSA-N 280.327 2.410 50 40 CEGB O[C@H](CI)C1CCCCC1 238706453 SGLQWURDZKGUIU-MRVPVSSYSA-N 254.111 2.363 50 40 CEGB COC(=O)/C(C#N)=C/c1cc(Br)ccc1O 2795795 RPLVKCWZTVAUHA-XBXARRHUSA-N 282.093 2.235 50 40 CEGB C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccco1 5164432 HWMHVSQMFLWTBI-GZTJUZNOSA-N 283.287 2.070 50 40 CEGB N#C/C(=C\c1ccccc1O)C(=O)NC1CCCC1 18173315 GADXBTCOTAAUSI-FMIVXFBMSA-N 256.305 2.358 50 40 CEGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc(F)cc1 13838186 TZZVVMMGGVAUHB-PXNMLYILSA-N 274.251 2.001 50 40 CEGB CC(C)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6459335 VSAKWYXQDDUYHY-UHFFFAOYSA-N 285.303 2.027 50 40 CEGB COc1ccc(OC)c(/C=C(\C#N)C(=O)N2CCCC2)c1 192556160 XJPARUFDKYOQSQ-UKTHLTGXSA-N 286.331 2.233 50 40 CEGB N#Cc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 36224031 USUCXKQLSRGPQY-ODLFYWEKSA-N 281.290 2.390 50 40 CEGB CC(=O)NNc1ncnc2sc3c(c12)CC(C)(C)OC3 501469 DBASFIJCGDMQLB-UHFFFAOYSA-N 292.364 2.006 50 40 CEGB O=C(N/N=C/c1cccnc1)c1cccc2cc[nH]c12 3169235 VHSPONIFJMLJCB-VCHYOVAHSA-N 264.288 2.327 50 40 CEGB CCc1ccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1 12737343 VCLUSQYRZOISRB-CYBMUJFWSA-N 272.348 2.366 50 40 CEGB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2Cl)cc1 4558192 YFHNKAAHIKQLST-NWDGAFQWSA-N 273.785 2.433 50 40 CEGB C=CCOC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 97990740 AEBMRSAFWITTNM-WQLSENKSSA-N 271.272 2.094 50 40 CEGB C=CCOc1ccccc1C(=O)N/N=C\c1cccnc1 33381614 ZGAHVRWREMAPPU-PDGQHHTCSA-N 281.315 2.410 50 40 CEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccco2)c1 581723 DSJHSGXFAYMJPA-OQLLNIDSSA-N 274.276 2.061 50 40 CEGB CCOC(=O)/C(C#N)=C(/S)n1cnc2ccccc21 16681981 KIBKPLOYCQYPGP-FMIVXFBMSA-N 273.317 2.221 50 40 CEGB CC1=C(C#N)[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C(O)=N1 4127173 USJFFVFYTFJLDE-NSHDSACASA-N 289.257 2.217 50 40 CEGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(N)=O 2228681 DWCDKJRRKOEGPC-YRNVUSSQSA-N 282.255 2.037 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)NC1CCCCC1 6338725 BKHCMDNXVXSADV-UHFFFAOYSA-N 289.379 2.282 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 408737076 HRGYPOLWXHWBQX-GIJQJNRQSA-N 293.282 2.051 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1cccc([N+](=O)[O-])c1 32576903 GHYJXMWOFWOULX-ZROIWOOFSA-N 289.316 2.349 50 40 CEGB COc1ccc(N2C[C@@H](CBr)OC2=O)cc1 34490324 RZUIXWZEMZSSDT-SNVBAGLBSA-N 286.125 2.415 50 40 CEGB NC(=O)c1c(NC(=O)CCCCl)sc2c1CCC2 6261970 RIZZUEKXSONJSN-UHFFFAOYSA-N 286.784 2.293 50 40 CEGB CSC1=C(C#N)[C@@H](c2ccsc2)CC(=O)N1 1300696 DFTIKKHYGZWNGF-MRVPVSSYSA-N 250.348 2.450 50 40 CEGB Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 4149389 UTGFHMXDIHRTRK-CYBMUJFWSA-N 266.304 2.245 50 40 CEGB Cc1n[nH]c2c1[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 18265492 HOHDQFRNCBCFMY-NSHDSACASA-N 266.304 2.131 50 40 CEGB COc1cc(N2CCCCC2)ccc1/C=N/NC(C)=O 409232613 AKWFSXSOCCMFIP-LFIBNONCSA-N 275.352 2.156 50 40 CEGB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)Cl 45957631 NKDJWPJXKJUNRC-UHFFFAOYSA-N 258.661 2.048 50 40 CEGB Cc1ccc2c(c1)C(=C(C#N)C#N)CCCS2(=O)=O 1652804 UEMFAGZEZRXPIU-UHFFFAOYSA-N 272.329 2.363 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccccc1N1CCOCC1 36962935 AWUOXKULRNSWPI-SNVBAGLBSA-N 268.744 2.089 50 40 CEGB C[C@@]12CC[C@@H](/C(=N\O)C1=O)[C@@]2(C)CBr 4228082 ZJBLURFKNIAZMR-ZZEQZJOMSA-N 260.131 2.217 50 40 CEGB CC(C)(C(=O)NNC(=O)c1ccccc1)c1ccccc1 23055372 QEJOCBHHSXFGGY-UHFFFAOYSA-N 282.343 2.425 50 40 CEGB CCOC(=O)/C(C#N)=C/C1=C(N2CCOCC2)CCCC1 20130668 STUFGQXNQIUUEH-SDNWHVSQSA-N 290.363 2.160 50 40 CEGB Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 24302564 WJOPUEZDZIJCHF-UHFFFAOYSA-N 286.306 2.138 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)N/N=C\c2cccnc2)c1 32511872 FTWXJARYIPHSNV-NCUBORBFSA-N 283.331 2.308 50 40 CEGB NNC(=O)c1cn(C(=O)c2ccccc2F)c2ccccc12 216952708 LBTOEZGBGGBFPN-UHFFFAOYSA-N 297.289 2.072 50 40 CEGB CC(C)=NNC(=O)c1ccc[n+](Cc2ccccc2)c1 5028967 QMEWDFLKNVDIHM-UHFFFAOYSA-O 268.340 2.148 50 40 CEGB CCOC(=O)/C(C#N)=C1\CCc2c1ccc(OC)c2OC 16890047 CRQCHKYIWDMUDH-ACCUITESSA-N 287.315 2.490 50 40 CEGB Cc1ccc(S(=O)(=O)CCBr)cc1 19788573 PSLPOQMKLHRDMA-UHFFFAOYSA-N 263.156 2.164 50 40 CEGB CC(C)(C)OC(=O)N[C@H]1COC[C@H](Br)C1 952958908 OGMLCLNFCCCNRV-HTQZYQBOSA-N 280.162 2.064 50 40 CEGB CCCC(CCC)=NNC(=O)C(=O)NC1CCCC1 59434282 HBWAJWIMUTXTMQ-UHFFFAOYSA-N 267.373 2.118 50 40 CEGB O=C(NNc1ccccn1)N[C@H]1C[C@H]1c1cccc(F)c1 63352196 OJHYYHBIYZCMIU-STQMWFEESA-N 286.310 2.403 50 40 CEGB N=C1O[C@@H](CCl)CN1C(=O)Nc1ccccc1 4770183 BPAVXIOZNFVXCT-VIFPVBQESA-N 253.689 2.093 50 40 CEGB CCNC(=S)NNC(=O)c1ccc(Cl)c(Cl)c1 5795351 QCVJICOEGYHDJX-UHFFFAOYSA-N 292.191 2.122 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1cccc(O)c1 32576897 KHLYASCATBZOQV-ZROIWOOFSA-N 260.318 2.147 50 40 CEGB O=C(CCl)Nc1nsc(-c2ccccc2)n1 39440125 VUNFVGABWSAHLZ-UHFFFAOYSA-N 253.714 2.382 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 45958229 AQKZWCHWPCQUJT-LLVKDONJSA-N 292.766 2.405 50 40 CEGB NNC(=O)c1cccc(-c2nc3ccccc3o2)c1 41127569 OATPNWLIKGCYSU-UHFFFAOYSA-N 253.261 2.098 50 40 CEGB O=C(CBr)c1ccc(Br)nc1 12370910 GKIVTCCIHVRWJJ-UHFFFAOYSA-N 278.931 2.422 50 40 CEGB in-vitro Cc1ccc(NCC(=O)N/N=C/c2ccc(C#N)cc2)cc1 7009637 NNRKNHNXUACYDY-RGVLZGJSSA-N 292.342 2.429 50 40 CEGB O=C(O)c1cc(NC(=O)C(Cl)Cl)cc([N+](=O)[O-])c1 1706880 JZVNTNYOIDWHJF-UHFFFAOYSA-N 293.062 2.035 50 40 CEGB CC1=C[C@]2(Nc3cc(C)cc(C)c3O2)C(C#N)=C(N)O1 40545162 PGVGUAIUIZFCTD-OAHLLOKOSA-N 269.304 2.432 50 40 CEGB Cc1ccc2c(c1)N([C@@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 223195316 PPHQPEUVMYJLCU-RYUDHWBXSA-N 275.396 2.466 50 40 CEGB Cc1ccccc1C(=O)NN=Cc1ccccc1O 254874882 RRDKSNZDBMQWIG-UHFFFAOYSA-N 254.289 2.465 50 40 CEGB COC(=O)/C(C#N)=C\c1cc2cc(C)cc(C)c2[nH]c1=O 421515 DNMGIFPTUCDXPU-QPEQYQDCSA-N 282.299 2.225 50 40 CEGB CC(C)C(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1 40549593 LNUOHBYQLCZQFK-YHYXMXQVSA-N 260.249 2.432 50 40 CEGB CN(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 1505327 WDSVBCWWMUTAEN-UHFFFAOYSA-N 285.303 2.305 50 40 CEGB biogenic C=C1CC(C(=O)N/N=C/c2cc(Cl)ccc2O)C1 408729592 HEMOMSJQFXVGCQ-VIZOYTHASA-N 264.712 2.462 50 40 CEGB Cc1ccccc1N(C(=O)CCl)C1=CS(=O)(=O)CC1 217385916 MUINGSIWFOWTNG-UHFFFAOYSA-N 299.779 2.227 50 40 CEGB N=C(CSS(=O)(=O)O)NCCCC1CCCCC1 31343361 HGWIZOCGEBLKOS-UHFFFAOYSA-N 294.442 2.450 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccc2c(c1)OCO2 175004 SDCFTLBLKRQRRJ-RQZCQDPDSA-N 298.298 2.188 50 40 CEGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1cccc([N+](=O)[O-])c1 5671405 XUJMXQCCVQUKKK-PCZPHVEJSA-N 271.276 2.277 50 40 CEGB C[C@@H](Cl)C(=O)c1ccc(N2CCOCC2)cc1 575358564 FGHMSLIYASIITK-SNVBAGLBSA-N 253.729 2.333 50 40 CEGB C[C@H](NC(=O)NCCCl)c1cccc([N+](=O)[O-])c1 6437423 QOHUKODCGRTSDH-QMMMGPOBSA-N 271.704 2.194 50 40 CEGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(O)c1 100228522 WJCRLEXLLLXZDX-WIEDMLCESA-N 288.347 2.374 50 40 CEGB CCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 64219933 PSBCTNJHBJBZJM-PWSUYJOCSA-O 278.800 2.498 50 40 CEGB COc1cccc(CNC(=O)[C@H](C)Br)c1 41705836 QLPQCFPDBUQGAN-QMMMGPOBSA-N 272.142 2.095 50 40 CEGB COC(=O)N/N=C(C)/C=C\c1ccc2c(c1)OCO2 85881218 BZMGBWKEKBRAAP-PJPNQUCHSA-N 262.265 2.160 50 40 CEGB O=c1cc(CCl)[nH]c2c(-c3ccccc3)cnn12 100020351 PJNZQWXYIDZXRO-UHFFFAOYSA-N 259.696 2.428 50 40 CEGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cnccn1 535713 CKTZOJVTOQFJDM-FBCYGCLPSA-N 294.236 2.259 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1c(F)cccc1Cl 408854742 CAZNOGOZMXWRMZ-VURMDHGXSA-N 252.676 2.474 50 40 CEGB CCOC(=O)c1cnn2ccc(NC(=O)[C@H](C)Cl)cc12 90653211 XQGLCQHGQGHHPU-QMMMGPOBSA-N 295.726 2.077 50 40 CEGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)NC(N)=O 409247593 DMANXYUPSCFPCB-YFHOEESVSA-N 299.261 2.188 50 40 CEGB O=C(COc1ccccc1Cl)N/N=C\c1cccnc1 31776148 KPUKPSZTPSXLJT-MFOYZWKCSA-N 289.722 2.264 50 40 CEGB Cn1cc(C(=O)N/N=C\c2cccnc2)c2ccccc21 33352717 QKFSAAWVJBTHFS-ZDLGFXPLSA-N 278.315 2.337 50 40 CEGB O=C(Cl)Cc1ccccc1-c1nn2cnnc2s1 41126836 JKTJHUBTVWHNCS-UHFFFAOYSA-N 278.724 2.161 50 40 CEGB CC(C)=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 5225610 MMEWDQQNMPZKGS-UHFFFAOYSA-N 287.241 2.156 50 40 CEGB C=CCOc1ccccc1C(=O)NNC(=O)CC(C)C 30602972 FATLHHUOAXWOPQ-UHFFFAOYSA-N 276.336 2.059 50 40 CEGB O=C1Nc2ccccc2CC[C@H]1I 21983551 SSQCOKYODRYBCD-MRVPVSSYSA-N 287.100 2.375 50 40 CEGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc[nH]n1 3902590 MFFIDNQWKWDXAO-GIDUJCDVSA-N 283.118 2.480 50 40 CEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CCCC1 6600715 VSZAIFRNRQUIJU-UHFFFAOYSA-N 285.347 2.048 50 40 CEGB CC/C(C)=N\NC(=O)c1c(O)nc2ccccc2c1O 8994654 KLZJRKVTJSDVTR-PXNMLYILSA-N 273.292 2.162 50 40 CEGB CCn1nccc1/C=C(/C#N)C(=O)NCc1cccs1 17009619 GEJOSZWHKFNTRS-FLIBITNWSA-N 286.360 2.188 50 40 CEGB NNC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3)nc2c1 216920883 AQCDQANQAUDYAM-UHFFFAOYSA-N 286.722 2.487 50 40 CEGB C=C(C)C(=O)OC[C@H](Br)C(F)(F)F 1083811129 ZEKBKHZSHWCIHC-YFKPBYRVSA-N 261.037 2.432 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1ccc(O)c(Br)c1 15231278 AEZZBHLREYPHIR-UITAMQMPSA-N 295.136 2.150 50 40 CEGB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CCl 60279980 KASRHTFUUVJNJI-SNVBAGLBSA-N 269.776 2.371 50 40 CEGB in-vitro CCOc1ccccc1OCC(=O)N/N=C/c1ccco1 3068683 PLZOUGMCNFRZMA-MHWRWJLKSA-N 288.303 2.207 50 40 CEGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccco3)n2c1 59444057 LJUYBYQCRBCICP-LZYBPNLTSA-N 282.303 2.308 50 40 CEGB COc1ccc(COC(=O)N/N=C(\C)CC(C)=O)cc1 104825333 UPKMJJNXOVINSW-XNTDXEJSSA-N 278.308 2.276 50 40 CEGB Cn1c(-c2ccccc2)cc(/C=N/NC(=O)CC#N)c1S 20427488 RMWYVGIECBZGME-LICLKQGHSA-N 298.371 2.345 50 40 CEGB C/C(CC(C)C)=N\NC(=O)c1cc(O)ccc1O 16973858 YXJOUEVQLBUBIF-NTEUORMPSA-N 250.298 2.250 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CCC2)c1C 18102871 ATQZORVJAHUMNG-LBPRGKRZSA-N 290.363 2.018 50 40 CEGB CC(C)C[C@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O 11974763 MDULUARQXVRLRT-LLVKDONJSA-N 279.723 2.463 50 40 CEGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 101025772 IPDUMBBHVFXDDF-WISUFSKPSA-N 291.307 2.464 50 40 CEGB Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1 57218612 KANWSJDGWLANKN-UHFFFAOYSA-N 280.799 2.268 50 40 CEGB in-vitro Nc1cc2c3c(cccc3c1Br)C(=O)OC2=O 104107791 IWFWMRLHSLBXCQ-UHFFFAOYSA-N 292.088 2.495 50 40 CEGB O=C(c1ccccc1)[C@@H]1N=NC[C@H]1Br 100188293 QYLNQDMCYFJUEC-RKDXNWHRSA-N 253.099 2.467 50 40 CEGB O=C(N/N=C/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1 13564505 KNIRURVIOAXZHB-PVKGRFSYSA-N 296.286 2.419 50 40 CEGB O=NN(CCCl)C(=O)N(CCCl)CCCl 5410642 KIRNCVMRJCUYPS-UHFFFAOYSA-N 276.551 2.108 50 40 CEGB in-vitro N#C/C(=C\c1ccc(Cl)s1)C(=O)N1CCOCC1 12629600 JKRSOXPDWRXTBX-VQHVLOKHSA-N 282.752 2.167 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1C#N)c1ccccc1 243427 FPOLNLNRBDWNEW-CPNJWEJPSA-N 293.326 2.477 50 40 CEGB CCN1C(=O)/C(=N\NC(=O)c2cccs2)c2ccccc21 103386764 OWGBWJIBVKOIOQ-SSZFMOIBSA-N 299.355 2.249 50 40 CEGB O=C(NNC(=O)c1cc(F)ccc1F)c1ccccc1 22662073 LTSVVASLNZUBSJ-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB C[C@]12[C@@H]3[C@H]4C(=O)[C@@H]1[C@H]1[C@@H]4C[C@@H]3[C@H]1[C@@H]2Br 102942960 DYJXAYHLFCEUAR-HKDGJBQCSA-N 253.139 2.097 50 40 CEGB C/C(=N\NC(=O)CSc1ncccn1)c1cccs1 408872055 JSILEJFGEWVXIY-OQLLNIDSSA-N 292.389 2.171 50 40 CEGB O[C@@H](CBr)c1cccnc1C(F)F 242463884 DPIFQORJEAYMEF-LURJTMIESA-N 252.058 2.448 50 40 CEGB O=C(OC[C@@H](Br)C(F)(F)F)n1ccnc1 1083812582 VLMFGPWCPBIEBK-RXMQYKEDSA-N 287.035 2.194 50 40 CEGB Nc1c(C(=O)Cl)ccc2c1C(=O)c1ccccc1C2=O 4830762 BIZVHVKTTCPVPP-UHFFFAOYSA-N 285.686 2.423 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1O 59333692 IIHIBZKDSOPXTD-WTKPLQERSA-N 280.711 2.049 50 40 CEGB CCC(CC)=NNC(=O)C(=O)NCc1ccc(Cl)cc1 59515680 YGQVVUQUNMCRRY-UHFFFAOYSA-N 295.770 2.248 50 40 CEGB Cc1ccc(F)c(S(=O)(=O)/C(C#N)=C2/CCCN2)c1 67340860 LERMMXOGBLROSF-QBFSEMIESA-N 280.324 2.026 50 40 CEGB O=C(Cl)CCCS(=O)(=O)Cc1ccccc1 96025109 HSDRPCACMINOQJ-UHFFFAOYSA-N 260.742 2.147 50 40 CEGB NNC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 73640275 FIMIJDLEKYMKED-UHFFFAOYSA-N 281.655 2.112 50 40 CEGB CCOc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccccc1 487262 ISVHCQUELSOZQH-IQFISFIMSA-N 298.342 2.269 50 40 CEGB O=C(N/N=C1/CCc2ccccc21)c1ccc(O)cc1 13143304 GGWJWAOBDVZNFO-ICFOKQHNSA-N 266.300 2.473 50 40 CEGB CCOC(=O)C1(CCl)CN(Cc2ccccc2)C1 98177794 HOHVYELQJJOFTN-UHFFFAOYSA-N 267.756 2.291 50 40 CEGB O=C1c2sccc2[C@H](NC(=O)C(F)(F)F)[C@H]1Cl 8655635 FSJFWNXNDUIWQQ-UHNVWZDZSA-N 283.658 2.271 50 40 CEGB CSCc1c(C(=O)NNC(C)=O)oc2ccccc12 23198538 IGWMWEKZUSCBNY-UHFFFAOYSA-N 278.333 2.077 50 40 CEGB O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)C1CC1 8328063 UKAJGRRZAUYSGL-UHFFFAOYSA-N 294.354 2.454 50 40 CEGB CCCCNC(=O)NNC(=O)c1cc2c(s1)CCCC2 17023819 XPCMOYZYJWLAMB-UHFFFAOYSA-N 295.408 2.371 50 40 CEGB Cc1ccc(C)c(N2C[C@@H](C(=O)Cl)CC2=O)c1 45952266 BEUUUHVUAHSDHZ-JTQLQIEISA-N 251.713 2.422 50 40 CEGB CCCCCCO[S@](=O)OC[C@@H](Cl)COC 5249281 NCCJOQVYDWCTIV-MGPLVRAMSA-N 272.794 2.432 50 40 CEGB CC[N+](C)(C)c1ccc(/C=C(\C#N)C(=O)OC)cc1 17061898 KTJVLJADKKWMOK-JLHYYAGUSA-N 259.329 2.353 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1ccccc1C(=O)O 2685738 NAJKXQFBRPPTBA-GZTJUZNOSA-N 282.299 2.078 50 40 CEGB N#CC(C#N)=C1SCC(=O)N1c1ccc(F)cc1 809436 JNIMPJGDLGDFSG-UHFFFAOYSA-N 259.265 2.164 50 40 CEGB COC(=O)c1cccc(C)c1NC(=O)NCCCl 1623661 XKQQEVUONYSUQX-UHFFFAOYSA-N 270.716 2.142 50 40 CEGB CCCCNC(=O)NNc1cc(C)c(C#N)c(Cl)n1 12420140 HALPSXKYDPTDQC-UHFFFAOYSA-N 281.747 2.341 50 40 CEGB CCOC(=O)NNC(=O)Nc1sc(C)c(C)c1C#N 24638261 KZYDTRPUHBXYOC-UHFFFAOYSA-N 282.325 2.019 50 40 CEGB CCOC(=O)c1sc2nc(CCl)nc(N)c2c1C 7986305 LMBQENNTVROIAI-UHFFFAOYSA-N 285.756 2.497 50 40 CEGB O=C1c2cc([N+](=O)[O-])ccc2CC[C@H]1Br 39418951 IMRXCWIIGSLQJA-SECBINFHSA-N 270.082 2.487 50 40 CEGB O=C(COc1cccc(Cl)c1)N/N=C/c1cccnc1 175022 DJRWTLSLFYERGX-RQZCQDPDSA-N 289.722 2.264 50 40 CEGB COc1cccc(/C=N/NC(=O)CNc2ccccc2)c1 251811 OELGHQFFBJGYGS-WOJGMQOQSA-N 283.331 2.257 50 40 CEGB O=C(N/N=C/c1ccoc1)c1ccc(Br)o1 2754788 QAECHEUWQUESEW-LFYBBSHMSA-N 283.081 2.399 50 40 CEGB Cc1occc1C(=O)NNC(=O)N(C)Cc1ccccc1 32795448 YXBBPTXYTAFWDQ-UHFFFAOYSA-N 287.319 2.074 50 40 CEGB Cc1cc(C)nc(NNC(=O)/C=C/c2ccc(C)o2)n1 69563614 QWEAPGKGZGAXAQ-VOTSOKGWSA-N 272.308 2.151 50 40 CEGB O=C(Cc1ccsc1)NNC(=O)c1cccc(Cl)c1 6221085 GGBXRVHWRPYPQY-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 549772 GEFMXKGETPFUHA-GWCFXTLKSA-N 284.315 2.474 50 40 CEGB CCOC(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101047908 DVWYAQGOINMJHN-RBZYPMLTSA-N 283.372 2.162 50 40 CEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 5381581 QEKHPIDABOKULB-GZTJUZNOSA-N 298.302 2.073 50 40 CEGB CC(=O)Nc1ccc2nc(NC(=O)CCl)sc2c1 4511103 JRUJUWJCYPWFQN-UHFFFAOYSA-N 283.740 2.432 50 40 CEGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(C#N)cc2)c1C 409013989 OJGAFRJWFFFKBL-VCHYOVAHSA-N 280.331 2.436 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)N(C)C)cc1Cl 408774668 XPGSHBIBAMTTJY-UXBLZVDNSA-N 264.712 2.344 50 40 CEGB Cl[C@H](Br)I 85855908 WUHPSARYLVYQOT-SFOWXEAESA-N 255.280 2.339 50 40 CEGB in-vitro CCc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 369426 ZYDHZTBAQPOWED-YAJBTMAUSA-N 282.343 2.433 50 40 CEGB ICN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 6158194 STJLIHPXXWJOIP-UTINFBMNSA-N 275.133 2.133 50 40 CEGB O=C(N/N=C/c1ccncc1)c1ccc2ccccc2n1 3373959 ZJIKSGGZYCMGDF-WOJGMQOQSA-N 276.299 2.394 50 40 CEGB COC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 11757630 PYWSEEVRSGAIKG-CQFDHEJISA-N 289.169 2.318 50 40 CEGB O=C(NNC(=O)c1ccc(F)cc1F)c1ccccc1F 5511733 DXKZZPGYCURVIK-UHFFFAOYSA-N 294.232 2.179 50 40 CEGB CCCCC[C@H]1C[C@@H](CC/C(C)=N/NC(N)=O)C(=O)O1 4762622 ZELHUNXPAOWFKO-GIBJHAEVSA-N 283.372 2.323 50 40 CEGB O=C(CCl)NCc1ccc(OC(F)(F)F)cc1 36962977 SQTNPDNRQWIMBN-UHFFFAOYSA-N 267.634 2.440 50 40 CEGB in-vitro N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCC1 258439 KYCSEUBOAUKCIZ-GHXNOFRVSA-N 284.315 2.381 50 40 CEGB N#C/C(=N/NC(=O)c1cccnc1)c1ccc(Cl)cc1 1581912 RFVUSEWTTDIMHE-AQTBWJFISA-N 284.706 2.393 50 40 CEGB CCOC(=O)Cc1csc(NC(=O)CCCCl)n1 36379837 JZQDNWSITRXIJK-UHFFFAOYSA-N 290.772 2.206 50 40 CEGB in-vitro COc1c(Cl)cc(/C=N\NC(C)=O)cc1Cl 32126408 VCJMFJGOYQRCNO-ACAGNQJTSA-N 261.108 2.472 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 3574233 ZSVYUPGFFWOZND-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB CC(=O)c1ccc(C[C@@H](Br)C(=O)O)cc1 1667739 OTXNYZKECLXPSN-SNVBAGLBSA-N 271.110 2.280 50 40 CEGB COCc1n[nH]c2c1[C@H](c1ccccc1C)C(C#N)=C(N)O2 803811 OZOSDECPZASJNC-CYBMUJFWSA-N 296.330 2.083 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1N1C[C@@H](C(=O)Cl)CC1=O 45953515 BAPONGKKEQYGFD-QMMMGPOBSA-N 282.683 2.022 50 40 CEGB O=C(O)/C=C/c1cc([N+](=O)[O-])cc(CCl)c1O 44201141 NKVWHAIFGAQWKN-OWOJBTEDSA-N 257.629 2.137 50 40 CEGB C[C@H](Br)C(=O)Nc1ccc2c(c1)OCC2 225812503 IPMJBVQQHZNQGQ-ZETCQYMHSA-N 270.126 2.343 50 40 CEGB Cc1ccc(/C=N/NC(=O)Cc2ccc(O)cc2)s1 15933897 SNGUFWNFWZOAON-OQLLNIDSSA-N 274.345 2.455 50 40 CEGB N=C(N)S/C=C(/F)C(F)(F)CBr 4934470 HNEZXFMNQBZQGS-HNQUOIGGSA-N 263.082 2.454 50 40 CEGB O=C(N/N=C/c1ccccc1F)c1ccc2[nH]cnc2c1 550669 PZFRXWQRHPKGMM-UFWORHAWSA-N 282.278 2.466 50 40 CEGB N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)NC1CCCC1 54841865 UXKKLZQEGMSSLB-LCYFTJDESA-N 284.315 2.351 50 40 CEGB O=C(NNc1ccccc1)/C(O)=C/C(=O)c1ccccc1 100929026 XLMLJOSFNDVTEN-PTNGSMBKSA-N 282.299 2.455 50 40 CEGB CC[C@@H](C(=O)OCC(=O)/C(C#N)=C(\C)N)c1ccccc1 22225883 OBKVIZMONBBESF-MBFWDRTGSA-N 286.331 2.049 50 40 CEGB COC(=O)N/N=C(/C)c1cccc(NC(=O)C2CC2)c1 6753790 ASFHAWRQFZCWHS-SXGWCWSVSA-N 275.308 2.115 50 40 CEGB C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(O)cc1 5816707 NRJDPEFAKOQZMF-SXGWCWSVSA-N 284.319 2.147 50 40 CEGB CC(=O)N/N=C/c1ccc(-c2ccc(C#N)cc2)o1 409021342 CHRVZUHOWALPCM-CXUHLZMHSA-N 253.261 2.288 50 40 CEGB COc1ccc(/C(O)=C/C(C#N)=C(C#N)C#N)cc1OC 97966195 SOCUXOCSWOLUNB-ACAGNQJTSA-N 281.271 2.470 50 40 CEGB C/C(=N/NC(=O)OC(C)(C)C)c1cc(O)ccc1O 409003186 RLIRZUJZNVPVPM-ZSOIEALJSA-N 266.297 2.347 50 40 CEGB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCl)C1 79408730 LLFVAZPTDVYTHR-SNVBAGLBSA-N 290.791 2.083 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)o1 257308 OPPVAAIOMIXFFQ-VIZOYTHASA-N 272.260 2.081 50 40 CEGB NC(=O)c1ccc(N(CCCl)CCCl)cc1 1558024 ZNHHOAIGZOAPLA-UHFFFAOYSA-N 261.152 2.070 50 40 CEGB O=C(NN(CCCl)CCCl)c1ccccc1 1691614 BHABEVYEURFFCY-UHFFFAOYSA-N 261.152 2.111 50 40 CEGB CCCCOC(=O)N/N=C1/C(=O)Nc2ccc(CC)cc21 59472585 YVWUHTZHNMQUKB-UHFFFAOYSA-N 289.335 2.432 50 40 CEGB O=C(N/N=C/c1ccccc1O)C1[C@H]2CCCC[C@@H]12 18036525 RWHIYSSPLLJQRF-QEKGWTLVSA-N 258.321 2.279 50 40 CEGB CCOc1cccc(/C=N/NC(=O)c2ccco2)c1 6950133 CMSJZVTVOUDERQ-XNTDXEJSSA-N 258.277 2.442 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)O)cc(Br)c1O 16901414 ZDOPTQVLVYWPMK-UQCOIBPSSA-N 298.092 2.155 50 40 CEGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(N)=O 408869221 RJZUJUYQURRIGT-UXBLZVDNSA-N 262.696 2.297 50 40 CEGB CC(C)(C)c1nc(C#N)c(NNC(=O)c2ccco2)o1 72238681 GMMDXSOXESEMNP-UHFFFAOYSA-N 274.280 2.194 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 45952749 NCVGMEXPIXGTLB-ZCFIWIBFSA-N 259.639 2.083 50 40 CEGB CSc1ccc(/C=N/NC(=O)C(F)(F)F)cc1 872269 ZFRHEKRZIHYBCF-MKMNVTDBSA-N 262.256 2.421 50 40 CEGB ClCCOC[C@@H]1CO[C@@H](C(Cl)(Cl)Cl)O1 5725722 BZHPXLBJYOPNPE-PHDIDXHHSA-N 283.966 2.354 50 40 CEGB CC1(CCl)COP(=O)(n2ccnc2)OC1 5479558 KOPVHKRWKYYRPL-UHFFFAOYSA-N 250.622 2.131 50 40 CEGB N#CC(C#N)=C1C(=O)N(CN2CCCCC2)c2ccccc21 57256568 HUDOPEKEQFVDCD-UHFFFAOYSA-N 292.342 2.277 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccnc1 59138224 XYJHIQXWCSQYSA-GZTJUZNOSA-N 284.319 2.039 50 40 CEGB O=C1Nc2ccccc2CC[C@@H]1I 21983553 SSQCOKYODRYBCD-QMMMGPOBSA-N 287.100 2.375 50 40 CEGB C/C(=N/NC(=O)Cc1ccccc1)c1ccc(O)cc1 39372818 MGJCFKVWILZLIU-ATVHPVEESA-N 268.316 2.475 50 40 CEGB COC(=O)N/N=C(\C)c1ccc(OC(F)F)cc1 5163758 BNTNXJBENZAGBR-VGOFMYFVSA-N 258.224 2.368 50 40 CEGB C/C(=N/NC(=O)c1ccncc1)c1ccc([N+](=O)[O-])cc1 230936 ZDHZAWSWTRADET-YBEGLDIGSA-N 284.275 2.144 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)C1 4953484 KRWVMPMOIJUORO-WDMOLILDSA-N 276.380 2.316 50 40 CEGB CCC/C=N/NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 4967433 STCGAVYOWXYUIJ-LZYBPNLTSA-N 289.335 2.312 50 40 CEGB COC(=O)Cn1cc(C=C(C#N)C#N)c2ccccc21 567228 BFILOPVDUWYSPZ-UHFFFAOYSA-N 265.272 2.245 50 40 CEGB Cc1scc(C(=O)NN=C2CCN(C)CC2)c1C 55048395 GWLNRCXPAHBCQD-UHFFFAOYSA-N 265.382 2.176 50 40 CEGB CCOC(=O)NNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 23750761 WADDONFAEOUWTF-ZJUUUORDSA-N 254.330 2.002 50 40 CEGB CCN(CC)[C@H](CNC(=O)CCl)c1ccco1 3423910 SOJCMNNYLHYGAS-SNVBAGLBSA-N 258.749 2.018 50 40 CEGB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCl 4219102 JJXKYXRXJWSELT-UHFFFAOYSA-N 255.701 2.003 50 40 CEGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccn1 5381841 MAYNYSCVIPLORR-LDADJPATSA-N 282.347 2.302 50 40 CEGB Cc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1 6867365 ZHUYLCNFXXTYOL-UHFFFAOYSA-N 250.298 2.165 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 38139481 BLUAFEHZUWYNDE-KLZXKPJCSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro NC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 3288166 CBGLRILSDNCIFX-MHWRWJLKSA-N 255.277 2.481 50 40 CEGB NNC(=O)c1cn(Cc2ccccc2)c2ccccc12 11920055 GARJUFINYCWFEU-UHFFFAOYSA-N 265.316 2.293 50 40 CEGB COc1cccc(/C(C)=N/NC(=O)c2ccccn2)c1 19849640 PLFURJBYZZIDTR-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB CN1C(=O)N(CCCl)C(=O)[C@](C)(C2=CCCCC2)C1=O 1563130 UCNNPDYOZLTWPY-CQSZACIVSA-N 298.770 2.153 50 40 CEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C)cc1 2101016 RBUPCFQWXIOEPQ-WOJGMQOQSA-N 295.342 2.392 50 40 CEGB CCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1 6888016 JKEBTCUGTAHCBG-UVTDQMKNSA-N 286.331 2.296 50 40 CEGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1C 5818184 JYMYDPOHBOAXFR-AWEZNQCLSA-N 296.330 2.253 50 40 CEGB CCOC(=O)c1cc(CCl)c2c(c1)COCO2 71195822 UCLANRMZSVEDLN-UHFFFAOYSA-N 256.685 2.469 50 40 CEGB Cc1ccc(OCC(=O)NNC(=O)c2cccc(C)c2)cc1 146515 VLXNOLQZKZIWSY-UHFFFAOYSA-N 298.342 2.143 50 40 CEGB O=C(/C=C/c1cccs1)NNC(=O)c1ccccc1 511823 ARVLVFLKDXZIHO-CMDGGOBGSA-N 272.329 2.223 50 40 CEGB O=C(NNCc1ccc(O)cc1)c1ccccc1Cl 4279566 FIEPXYZPAOERGN-UHFFFAOYSA-N 276.723 2.480 50 40 CEGB Cc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)s1 5618579 DJDRYGQPBURUOW-GULXKOIASA-N 274.345 2.240 50 40 CEGB CCn1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2C)cn1 97971429 GTDWPZXIRQWYRK-UHFFFAOYSA-N 275.264 2.339 50 40 CEGB CN(C)C1CCC(I)CC1 79436953 FUQBVZYCLBERIV-UHFFFAOYSA-N 253.127 2.294 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1 33303676 RMXBDYXPOVVMRH-WJDWOHSUSA-N 283.287 2.288 50 40 CEGB CC(=O)O[C@@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 195807947 GWHDKFODLYVMQG-QRTLGDNMSA-N 287.432 2.032 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1cccc2c1OCO2 5602765 AAIFZRIVJISKKI-LICLKQGHSA-N 282.299 2.108 50 40 CEGB CCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1O 20175741 WCVITAYULWQTNW-MHWRWJLKSA-N 276.336 2.431 50 40 CEGB COC(=O)[C@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 100746498 PYWSEEVRSGAIKG-MKCWBWRRSA-N 289.169 2.318 50 40 CEGB O=C(N/N=C/c1ccccc1F)c1ccccc1[N+](=O)[O-] 252798 NDEIKKOIOPDEHB-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB CC/C(=N\NC(=O)c1ccccn1)c1ccc(O)cc1 232334 BWCOYZWUSKMVKH-GHRIWEEISA-N 269.304 2.331 50 40 CEGB N#CC(C#N)=Cc1cn(CC(=O)NC2CC2)c2ccccc12 798075 VWQXENCRMROJRH-UHFFFAOYSA-N 290.326 2.350 50 40 CEGB O=C(O)c1ccc(CI)cc1 1611125 CSGPUODXEMKHSY-UHFFFAOYSA-N 262.046 2.320 50 40 CEGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1 498024 WXJVFIYVOHKMGE-VAWYXSNFSA-N 266.300 2.161 50 40 CEGB Cc1cc(C(=O)NN=C2CCN(C)CC2)c2ccccc2n1 55079240 VKDCUUYESYCQHK-UHFFFAOYSA-N 296.374 2.355 50 40 CEGB COC(=O)NNC(=O)Nc1cccc2ccccc12 11006507 IGKWUFFUNHOFON-UHFFFAOYSA-N 259.265 2.232 50 40 CEGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1cc2c(s1)CCC2 17445788 ANARSRQCJSNMKS-SNVBAGLBSA-N 290.388 2.354 50 40 CEGB CCCCCC[C@@H]1C[C@@](C)(/C(C)=N/NC(N)=O)OC1=O 5142646 MCGPENDGLIEHJX-RWJXEWCUSA-N 283.372 2.323 50 40 CEGB COc1ccccc1C(=O)N/N=C(\C)c1ccco1 13982354 AJFKSODPAIPRNE-XNTDXEJSSA-N 258.277 2.442 50 40 CEGB NNC(=O)CCCCCCCCCCOCCCCO 4856407 JBMSYFVLGPGPRP-UHFFFAOYSA-N 288.432 2.276 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 408811100 QOKGWRCIOOOVKF-HLVNSREUSA-N 283.331 2.411 50 40 CEGB Nc1ccccc1C1=NO[C@@H](CBr)C1 217844454 BSGLRAPSRWIFPM-SSDOTTSWSA-N 255.115 2.157 50 40 CEGB O=C(N/N=C/c1cccc(O)c1)c1ccccc1[N+](=O)[O-] 252852 MOPMWFXLBPONTA-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB COc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1OC 16437867 ZGKSPVURDQCVHQ-JLHYYAGUSA-N 286.331 2.233 50 40 CEGB N#CC(C#N)=Cc1ccc(O)c(I)c1 164312621 LLENTOPEXGHUSW-UHFFFAOYSA-N 296.067 2.427 50 40 CEGB O=C(Cl)c1nnc2sc(-c3cccc(F)c3)nn12 57332635 DVRVPWMURBWAOC-UHFFFAOYSA-N 282.687 2.371 50 40 CEGB C/C(=N/NC(=O)c1ccccc1N)c1ccccc1O 102900362 ICFAPGRDMJZKNX-YVLHZVERSA-N 269.304 2.128 50 40 CEGB O=C(NNC(=S)S)C12CC3CC(CC(C3)C1)C2 96193774 QMSSHJGDGCADJY-UHFFFAOYSA-N 270.423 2.038 50 40 CEGB NNC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 216936159 YBISLKZCNSEBDG-UHFFFAOYSA-N 280.283 2.064 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2c(C)nn(C)c2F)cc1C 252491268 LKDGOAAWPXASIT-CAOOACKPSA-N 288.326 2.248 50 40 CEGB O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1cc(O)ccc1O 16989983 LCGLYIYCOPABGX-XPIHRMQRSA-N 260.293 2.004 50 40 CEGB Cc1ccc2cc(/C=C(/C#N)C(N)=O)c(N(C)C)nc2c1 33705570 HRLFPIYXVHARRW-JYRVWZFOSA-N 280.331 2.002 50 40 CEGB O=C(N/N=C/c1ccc2cccnc2c1)c1ccncc1 52286 GBPIRKRFMRYEER-YBFXNURJSA-N 276.299 2.394 50 40 CEGB Cc1ccccc1OCC(=O)NNC(=O)C1CCCCC1 580739 HQAXQTHSCXKYGF-UHFFFAOYSA-N 290.363 2.102 50 40 CEGB Cc1ccc(NC(=O)CCl)cc1NC(=O)CCl 3159489 QPFPIZGCGLEIDP-UHFFFAOYSA-N 275.135 2.350 50 40 CEGB Cc1ccc(C(=O)[C@H](Br)CC(=O)O)cc1 3268093 AFLMNHCSODTMON-SECBINFHSA-N 271.110 2.416 50 40 CEGB N#C/C(=C(/O)C(F)(F)F)c1nnc2n1CCCCC2 100916859 SIFLMJWHXCRURS-CLFYSBASSA-N 272.230 2.359 50 40 CEGB Cc1ccsc1C(=O)NNC(=O)OC(C)(C)C 3454475 MDGWESKPOLZXLM-UHFFFAOYSA-N 256.327 2.226 50 40 CEGB COc1ccccc1CN(C(=O)CCl)C1CC1 32108113 NVWANHHXQZVLGW-UHFFFAOYSA-N 253.729 2.425 50 40 CEGB O=C(Cl)c1cccn1S(=O)(=O)c1ccccc1 95836265 KQISGECDDWFBNH-UHFFFAOYSA-N 269.709 2.104 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(OC)c1 6429202 FEJIIOQSQSYHPS-LFYBBSHMSA-N 274.320 2.135 50 40 CEGB COc1ccc(C=C2[C@H]3C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]32)cc1 104146717 PDACYKVUVCOEAG-QHSBEEBCSA-N 282.295 2.210 50 40 CEGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 3288170 OBZOHUUBODHUOT-RQZCQDPDSA-N 286.262 2.288 50 40 CEGB CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2C)o1 409011752 HLOZUPKEDJVZLT-LZYBPNLTSA-N 286.287 2.423 50 40 CEGB CCOC(=O)NNC(=O)c1cc2c(C)cc(C)cc2[nH]1 8848692 XKIQIKLNDDDZEA-UHFFFAOYSA-N 275.308 2.176 50 40 CEGB CC(C)C(=O)NNC1=CC(=O)C[C@@H](c2ccccc2)C1 408751519 SDFXHBFJYXWGOG-ZDUSSCGKSA-N 272.348 2.294 50 40 CEGB Cc1cccc(COc2ccccc2C(=O)NN)c1 216883049 XOIDMPKYJOHIKA-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 45952441 UJFLYURNKCIYJL-SSDOTTSWSA-N 258.104 2.458 50 40 CEGB C=CCn1c(CCc2ccccc2)ccc1C(=O)NN 226028830 LNDRHEKVYZSMTA-UHFFFAOYSA-N 269.348 2.063 50 40 CEGB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSC#N 4743015 PTIKPJWTZJAEBQ-UHFFFAOYSA-N 251.267 2.056 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1OC 2702611 GSXHEONBWXPAMY-VCHYOVAHSA-N 299.330 2.253 50 40 CEGB CC(C)(C)NC(=S)NNC(=O)c1ccc(Cl)cc1 6824097 CRWHXXUWXXEEMH-UHFFFAOYSA-N 285.800 2.247 50 40 CEGB C#CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334440 YQVWZNGXGUYCDQ-UVTDQMKNSA-N 298.342 2.092 50 40 CEGB CN(Cc1ccc(Br)o1)C(=O)CCl 37654210 ZVHIUBHOKUUOHT-UHFFFAOYSA-N 266.522 2.239 50 40 CEGB Cc1cccc(C(=O)Oc2cccc(/C=C/C(=O)NN)c2)c1 226365009 SIGWZTWMLHBSQW-CMDGGOBGSA-N 296.326 2.217 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OC 59334257 BLUMWNBISCUIOJ-YHYXMXQVSA-N 294.738 2.352 50 40 CEGB C[C@@H]1CN1P(=O)(Nc1ccccn1)N1C[C@H]1C 301054462 RKAUOXVGNVHSRZ-BTXNLSOGSA-N 252.258 2.010 50 40 CEGB CCc1ccc(CC(=O)N/N=C\c2ccc(O)c(O)c2)cc1 409366012 XKAWYAUWXSDCAS-WQRHYEAKSA-N 298.342 2.353 50 40 CEGB CCCCCC[C@@H]1C[C@](C)(/C(C)=N/NC(N)=O)OC1=O 5142677 MCGPENDGLIEHJX-MDHSVXEESA-N 283.372 2.323 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 408967375 QEMCWRJZJHNOIG-CAOOACKPSA-N 271.251 2.363 50 40 CEGB O=C(N/N=C/c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 243124 KBNTUNLOYZQDHD-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB CN(/N=C\c1ccc(N(C)C)cc1)C(=O)c1ccccc1N 17124612 RIFBRHTZLMJGBS-UNOMPAQXSA-N 296.374 2.441 50 40 CEGB Cc1cccc(OCC(=O)N/N=C/c2cccc(O)c2)c1 60491 QTSXGPYPIWYUML-LICLKQGHSA-N 284.315 2.230 50 40 CEGB C/C(CC(=O)N1CCCC1)=N\NC(=O)C1CCCCC1 4690695 UYTGTCVRTKEURH-FOWTUZBSSA-N 279.384 2.071 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C=C(c5ccccc5)[C@@H]34)[C@@H]12 103935963 WRNPURQQOXPFLD-MTBPCUBESA-N 278.307 2.448 50 40 CEGB O=C(N/N=C/c1c(F)cccc1F)c1ccc(O)cc1 3270423 KAUYZPTXCAFTAT-CAOOACKPSA-N 276.242 2.434 50 40 CEGB CCS(=O)(=O)c1ccc2oc(CCl)nc2c1 26442980 FKEAONHKWDBRJI-UHFFFAOYSA-N 259.714 2.360 50 40 CEGB in-vitro O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 3895619 VXKCGGYPMLXZKG-UHFFFAOYSA-N 299.374 2.059 50 40 CEGB in-vitro Cc1cccc(N2CC[C@H](Br)C2=O)c1 49454677 ZDGWUMCZYDAGHV-JTQLQIEISA-N 254.127 2.495 50 40 CEGB NNC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 223450286 WMQPJQREUAXSSI-UHFFFAOYSA-N 282.756 2.073 50 40 CEGB OB(O)c1ccc(OCc2ccccc2)c2ccccc12 195988237 HTNWPEUXFDDPFM-UHFFFAOYSA-N 278.116 2.099 50 40 CEGB C=C[Si](O[Si](C)C)(O[Si](C)C)O[Si](C)C 195862677 QMYWTTZYMZXKNP-UHFFFAOYSA-N 277.597 2.454 50 40 CEGB O=C(N/N=C/c1ccc2cccc(O)c2n1)c1ccco1 33169 PYTCMKWRVRXETH-CXUHLZMHSA-N 281.271 2.297 50 40 CEGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OC 6209245 VEWVTQPYVIPJEB-RUDMXATFSA-N 280.711 2.140 50 40 CEGB CN1CCCC[C@H]1C(=O)N/N=C/c1ccccc1Cl 5557875 NPHAEJSWSOHEQP-RKPNYOAGSA-N 279.771 2.274 50 40 CEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C 180197 DIDSDPORLQVQAK-CQSZACIVSA-N 284.315 2.250 50 40 CEGB CCC[C@@H](Br)[C@@H](Br)C(=O)O 4808222 FGZJHRRUZOQKDJ-RFZPGFLSSA-N 273.952 2.398 50 40 CEGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc2ccccc2n1 14235961 KQGHVLGYPCTQFX-GFCCVEGCSA-N 295.342 2.352 50 40 CEGB COC(=O)c1cc(OC)c2oc(CCl)nc2c1 43827692 ZSGJZVPUUJKLPG-UHFFFAOYSA-N 255.657 2.362 50 40 CEGB CCn1ncc(/C=N/NC(=O)c2ccc(C)c(C)c2)c1F 252490627 KYBHYPJQJCCVEZ-CAOOACKPSA-N 288.326 2.423 50 40 CEGB O=C(CBr)c1ccc(OC(F)F)nc1 382772056 QLCNKZRPRRBRNQ-UHFFFAOYSA-N 266.041 2.261 50 40 CEGB CCOc1ccccc1/C=N/NC(=O)c1ccccc1N 5737143 REBZBTAEOMZKBG-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB Cc1ccn2c(C(=O)N/N=C/c3ccncc3)c(C)nc2c1 58883642 VJCMRAALXSWUCY-VCHYOVAHSA-N 293.330 2.110 50 40 CEGB CC[C@@H](C)Oc1ccc(/C=N/NC(C)=O)cc1OC 4545348 OQMFIZYPRPAZQE-KXUVPBGPSA-N 264.325 2.343 50 40 CEGB N#CC(C#N)=CNc1nn(-c2ccccc2)cc1C#N 6588707 FFKSFPAMGZNDDZ-UHFFFAOYSA-N 260.260 2.087 50 40 CEGB COc1cccc2c1N([C@@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 223196070 SVOBVNQYHPHFOT-QWRGUYRKSA-N 291.395 2.166 50 40 CEGB CC(C)(C)C(=O)Nc1ncccc1C(=O)CCl 199826375 JQPQFEIAUQPUFO-UHFFFAOYSA-N 254.717 2.488 50 40 CEGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1O 83325101 JDCFCFSCGOBTPT-IQFISFIMSA-N 298.342 2.356 50 40 CEGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(N)=O)cc21 208206833 HJUSTMJTMQOTKL-IYPWXLATSA-N 274.368 2.411 50 40 CEGB O=C(N/N=C\C=C\c1ccco1)[C@@H]1COc2ccccc2O1 13563652 HJBUGJXLXOMEPO-JYGIYCAVSA-N 298.298 2.235 50 40 CEGB CNC(=O)/C(C#N)=C/c1cccn1-c1ccc(N(C)C)cc1 573884 GQFILRUBJMLVDQ-ACCUITESSA-N 294.358 2.196 50 40 CEGB C[C@@H]1Oc2ccc(CBr)cc2NC1=O 108235378 AFSXPNWTMSSYNT-LURJTMIESA-N 256.099 2.301 50 40 CEGB COc1ccc(OCC(=O)N/N=C2\C=C(C)CC2)cc1 13143348 SBOLFWGFQSSPHV-VBKFSLOCSA-N 274.320 2.286 50 40 CEGB CCOC(=O)N/N=C(\C)c1ccc(OC)cc1OC 5163773 SHDDFXYMNRXHNO-NTEUORMPSA-N 266.297 2.174 50 40 CEGB COC(=O)N/N=C/c1cccc(Br)c1 5526189 LZHGCSDHWPOFGO-IZZDOVSWSA-N 257.087 2.139 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 5540085 KGPKFYWBHBEFOL-RQZCQDPDSA-N 282.299 2.488 50 40 CEGB CCn1nc(/C(C#N)=C/c2ccccc2OC)c(C#N)c1N 408973319 LNFDNXNUBZUDKR-XYOKQWHBSA-N 293.330 2.430 50 40 CEGB CC(C)(C)c1cc2ccccc2c2nc(C(=O)NN)cn12 78404185 PWDIBHJABSQFOR-UHFFFAOYSA-N 282.347 2.389 50 40 CEGB NNC(=O)c1cccn1-c1ccc(Cl)cc1Cl 223727858 BKQYXWVVLFZMRN-UHFFFAOYSA-N 270.119 2.388 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NC(C)C)c(OC)c1 40889261 JJTNNQYUVCHXEK-GHXNOFRVSA-N 274.320 2.135 50 40 CEGB COC(=O)[C@H](Br)COCc1ccccc1 88009905 KBWIIBVKXVUCIV-SNVBAGLBSA-N 273.126 2.140 50 40 CEGB COC(=O)c1ccc(OC)c(C(=O)CBr)c1 85390059 OKTIXTFYSRYZKM-UHFFFAOYSA-N 287.109 2.059 50 40 CEGB CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)OC1=O 101463283 QGQOHSCJOSNBPR-UHFFFAOYSA-N 270.288 2.138 50 40 CEGB N[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 3109708 UGKOUYLPEAUWLH-MRVPVSSYSA-N 267.543 2.158 50 40 CEGB N#CC1=CN(Cc2ccc3c(c2)OCO3)C=C[C@H]1C#N 1715712 DLWWSCNTSPINHC-LBPRGKRZSA-N 265.272 2.292 50 40 CEGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccn2)c1 37858795 YNJUHIXNQCPYIZ-XYOKQWHBSA-N 295.298 2.341 50 40 CEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@H](C#N)[C@@H]1c1cccc(Cl)c1 66087979 PINIDGPABYMYMH-VNHYZAJKSA-N 293.717 2.347 50 40 CEGB COc1ccc([C@H]2OC[C@@H](CCl)O2)cc1OC 1677015 IAXHXUHAQJAMQG-SKDRFNHKSA-N 258.701 2.357 50 40 CEGB Cc1cc(C(=O)N/N=C/c2ccccc2C(=O)O)c(C)o1 1476724 DYDBWVFJDFIDRM-LZYBPNLTSA-N 286.287 2.359 50 40 CEGB COc1c(C=O)c(C[C@H](C)Cl)c(OC)c2c1OCO2 14988186 VQAOJDKURVRARQ-ZETCQYMHSA-N 286.711 2.415 50 40 CEGB C/C(=N\NC(=O)c1ccc(C)nc1)c1ccc([N+](=O)[O-])cc1 32142918 OTISURNFPBHKIC-GZTJUZNOSA-N 298.302 2.452 50 40 CEGB Cc1cc(-n2cccc2C(=O)NN)ccc1Br 223729254 BAOSWYQSXQPUSC-UHFFFAOYSA-N 294.152 2.152 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(F)cc1 96517806 IMMOMBZXVBWSQY-SNVBAGLBSA-N 264.705 2.008 50 40 CEGB C#CCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1 6312112 RIGVYZMGNXPBEJ-XDHOZWIPSA-N 293.326 2.045 50 40 CEGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(C)o1 6278720 WYLZBHKKGRHUNF-DSQDWWTGSA-N 272.304 2.162 50 40 CEGB CN(C)/C=C(\C#N)S(=O)(=O)c1ccc(Cl)s1 96511675 OVOGUUVNPQRZFZ-VOTSOKGWSA-N 276.770 2.102 50 40 CEGB COC(=O)/C(C#N)=C/c1cc2ccc(C)c(C)c2[nH]c1=O 421512 MPUWFZPGLVCLAZ-NTUHNPAUSA-N 282.299 2.225 50 40 CEGB COc1cccc(/C(C)=N\NC(=O)c2ccccn2)c1 5024691 PLFURJBYZZIDTR-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB COC(=O)[C@H](Br)c1ccc(C#N)cc1 1435912 NILGZRRSMPASHK-SECBINFHSA-N 254.083 2.167 50 40 CEGB N#C/C(N)=C(C#N)/N=C/c1cccc(Br)c1 2561657 XNWVKHOTLNWOOI-OITKXYCYSA-N 275.109 2.085 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2cc3c(s2)CCC3)n1 65607905 VJKOXGHJVSMMMX-UHFFFAOYSA-N 288.376 2.401 50 40 CEGB COc1cc(C)c(/C=N\NC(=O)CC#N)cc1C(C)C 4513390 YADVUTLTCHQFNO-MFOYZWKCSA-N 273.336 2.491 50 40 CEGB CNC(=O)/C(C#N)=C\c1cc(F)c(N2CCCC2)cc1C 33656115 JIISWQWSZJBRKN-JYRVWZFOSA-N 287.338 2.387 50 40 CEGB NNC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 73640481 HKYQJRPJQIEOKK-UHFFFAOYSA-N 281.655 2.112 50 40 CEGB O=C(N/N=C\c1c[nH]c2ccccc12)[C@@H](O)c1ccccc1 86040584 XZPRGEIKKWWZRI-YLRSXTQRSA-N 293.326 2.352 50 40 CEGB CCOC(=O)[C@H](CC)C(C)=NNC(=O)c1ccccc1O 245231673 HTZKKYNNKBGMRZ-LLVKDONJSA-N 292.335 2.087 50 40 CEGB N/C(=N\OC(=O)CCl)c1cccc(Cl)c1Cl 4280887 OTYMDTWKWIYKFT-UHFFFAOYSA-N 281.526 2.396 50 40 CEGB CCC/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 4194778 DYIAHTAFCHUDGK-VIZOYTHASA-N 280.324 2.228 50 40 CEGB CN(C)P(=O)(OCCCl)OCCCl 1602471 PLTLCVNJKCXYLI-UHFFFAOYSA-N 250.062 2.167 50 40 CEGB O=C(N/N=C/c1ccco1)C(=O)Nc1cccc(Cl)c1 7783856 VRMDRKOWZPLDEG-OVCLIPMQSA-N 291.694 2.022 50 40 CEGB Cc1ccsc1/C=N/NC(=O)[C@H](O)c1ccccc1 552266 PIEZEXRJQATKRB-GULXKOIASA-N 274.345 2.240 50 40 CEGB Cc1c(C(=O)NNC(=O)[C@H]2C[C@@H]2C)oc2ccccc12 17448627 LJWZUUYEWWBTSH-KWQFWETISA-N 272.304 2.158 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)c1cccc[n+]1[O-] 45080323 AFDXLPYSQUYTOO-UHFFFAOYSA-N 297.236 2.096 50 40 CEGB O=C(N/N=C\c1ccc(N2CCCC2)o1)c1cccc(O)c1 408857670 VPVIFENOENFMSV-BOPFTXTBSA-N 299.330 2.349 50 40 CEGB O=C(CCl)Nc1nc2cc3c(cc2s1)OCCO3 9664695 PLSACAYSJPRTBK-UHFFFAOYSA-N 284.724 2.245 50 40 CEGB COC(=O)c1cc(Cl)ccc1NC(=O)CCl 9690950 YXYFPTSVEIAUSA-UHFFFAOYSA-N 262.092 2.304 50 40 CEGB Cc1ccc(NCC(=O)N/N=C/c2cccn2C)cc1C 409096660 KGEBMBZCDUIELG-VCHYOVAHSA-N 284.363 2.204 50 40 CEGB COC(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2[nH]c1=O 13556780 MIGOGRPFAIWEPW-QPEQYQDCSA-N 282.299 2.225 50 40 CEGB CCOC(=O)[C@H](Br)C(=O)c1ccccc1F 16158304 VBIBJUNLXFTZCU-SECBINFHSA-N 289.100 2.335 50 40 CEGB Cc1ccc(C(=O)NNC(=O)Cc2cccc(F)c2)cc1 2657323 HIAHCVVPELKCJW-UHFFFAOYSA-N 286.306 2.138 50 40 CEGB CCN(CC)c1ncc(/C=N/NC(=O)c2ccco2)s1 21188277 HRTIIQRBPKZWNG-OQLLNIDSSA-N 292.364 2.346 50 40 CEGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)[nH]1 409194456 CDCPGZRJLZUTJO-BFERYNQYSA-N 280.331 2.389 50 40 CEGB COc1ccccc1C(=O)N/N=C(\C)c1ccccn1 4587865 AOLNBUHFKFFHIK-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB Cc1nn(-c2ccccc2)c(O)c1C(=O)CCl 5416491 KGIGCXKJNIFWPF-UHFFFAOYSA-N 250.685 2.308 50 40 CEGB CCn1c(Cc2ccc(C)cc2)ccc1C(=O)NN 226029292 UQOPKAPKFSWGJS-UHFFFAOYSA-N 257.337 2.011 50 40 CEGB C[C@@H](Br)C(=O)N1CCO[C@H](c2ccccc2)C1 95097961 BSQCEKBRCBYAKX-PWSUYJOCSA-N 298.180 2.370 50 40 CEGB COC(=O)/C=C1\CCCCCN1C(=O)[C@@H](C)Cl 96528483 ZIITXYQEHICHKT-NCXKZPMSSA-N 259.733 2.073 50 40 CEGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1 60063 ROXKFUBTJLITBR-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB COC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl 125538 YWRHZLMIBIYRHS-XBXARRHUSA-N 266.640 2.328 50 40 CEGB O=C(O)[C@@H](O)c1ccc(N(CCCl)CCCl)cc1 1763751 OGUOEXAPDGLKFQ-NSHDSACASA-N 292.162 2.089 50 40 CEGB Cc1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl 8733125 JNJKRTPLEAYWNL-SNVBAGLBSA-N 268.744 2.067 50 40 CEGB C[C@@H](Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 35222653 ZHUYXQJPSVQHBT-YPMHNXCESA-N 266.772 2.004 50 40 CEGB in-vitro CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC 4702570 OZYITDDPHVCYJE-VCHYOVAHSA-N 299.330 2.253 50 40 CEGB CC/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)C(C)C 5781271 XZPDXOZZJKZJCJ-LUYJPIOASA-N 276.336 2.365 50 40 CEGB CC(=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)C 198009786 SQNXVAFKMUVFHN-UHFFFAOYSA-N 265.510 2.237 50 40 CEGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccco1 19204661 RXCRICKUIKBZAU-LBPRGKRZSA-N 290.344 2.468 50 40 CEGB C/C(CCc1ccccc1)=N\NC(=O)CC(=O)NC(C)C 4611368 HVTLUDDSWWVBIJ-QGOAFFKASA-N 289.379 2.026 50 40 CEGB O=C(NNC(=S)NC1CC1)c1ccc2ccccc2c1 7004020 OUTWFDRLZMAXNA-UHFFFAOYSA-N 285.372 2.111 50 40 CEGB O=C(CCl)N1CCCc2cc([N+](=O)[O-])ccc21 12504951 NVQFDNIBMSEAIY-UHFFFAOYSA-N 254.673 2.113 50 40 CEGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O)[C@H](Br)C2=O 100319430 MTHNSUMNUZOJER-DADVEIPYSA-N 275.142 2.230 50 40 CEGB COc1cc(C=C(C#N)C#N)cc([N+](=O)[O-])c1OC 15109878 HRISZMKQRDVSAZ-UHFFFAOYSA-N 259.221 2.043 50 40 CEGB O=C(NNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 6946827 SNOUIUDDWMCTPT-UHFFFAOYSA-N 298.220 2.373 50 40 CEGB CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2ccc(F)cc21 223194867 SWPKPAATDULRLK-JTQLQIEISA-N 277.343 2.206 50 40 CEGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8973224 KPTCALHQWRLRQI-AWEZNQCLSA-N 280.331 2.499 50 40 CEGB NC(=O)N/N=C/c1cccn1-c1ccc(Cl)cc1 563986 UTOBMJJHLRIRTL-OVCLIPMQSA-N 262.700 2.133 50 40 CEGB CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1 492807 NLWXAIUMPIHMCE-AWEZNQCLSA-N 280.331 2.430 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccccc2OC)c1 2790576 PUEDSJUEUXZLHV-GZTJUZNOSA-N 284.315 2.468 50 40 CEGB O=C(CCl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 4056569 ZZTZYIDTERONHV-UHFFFAOYSA-N 278.691 2.426 50 40 CEGB O=C(N/N=C\C(Cl)=C\c1ccccc1)c1cnccn1 4855018 NXRIKYCPEHSUOH-PSGQQEAGSA-N 286.722 2.472 50 40 CEGB COCCNC(=O)N/N=C1\C=C(C)CC(C)(C)C1 95955581 XVRRHPATIKUPEJ-RVDMUPIBSA-N 253.346 2.054 50 40 CEGB Cc1ccc(O)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 408566121 DIPHFBCPILZKCV-SXGWCWSVSA-N 299.286 2.373 50 40 CEGB Cc1cc(NC(=O)CCl)n(-c2ccc(F)cc2)n1 12505043 VIVUXESWFAWVSJ-UHFFFAOYSA-N 267.691 2.497 50 40 CEGB in-vitro O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccccc1[N+](=O)[O-] 6336039 NGJYTQHVQCJDMC-ASYFJWBASA-N 271.276 2.277 50 40 CEGB O=C(NN=C1Cc2ccccc2C1)NC1CCCC1 65672766 FOCIIHZDQHSHIP-UHFFFAOYSA-N 257.337 2.383 50 40 CEGB COC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 5728236 IIODHTVUZNFDAE-POHAHGRESA-N 271.251 2.296 50 40 CEGB CCCCNC(=O)NNc1ccccc1[N+](=O)[O-] 7141388 XIAIXCIPTYTBMU-UHFFFAOYSA-N 252.274 2.021 50 40 CEGB CCOc1cccc(/C=C(\C#N)C(=O)NCCCOC)c1 44023881 HEQQAZMIPIPHFX-GXDHUFHOSA-N 288.347 2.145 50 40 CEGB NC(=O)N/N=C/c1cccc(OCCOc2ccccc2)c1 4196535 FMMXMMPEKAQVFX-LDADJPATSA-N 299.330 2.147 50 40 CEGB C#CCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1OC 5709099 WNLZSBYLCVSRRK-UKTHLTGXSA-N 285.299 2.177 50 40 CEGB CC(C)Cc1nnc(NC(=O)C(Cl)Cl)s1 73978 GGEYLXMGKFNLGH-UHFFFAOYSA-N 268.169 2.479 50 40 CEGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)N1CCCC1 2631953 QJRKOEAHSDBQDN-ZROIWOOFSA-N 251.289 2.088 50 40 CEGB C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cccc2ccccc12 12060876 PQKIXDOZWVHQKI-XHDPSFHLSA-N 282.343 2.186 50 40 CEGB O=C1C=C(NNC(=O)c2ccccc2)C2(CCCCC2)O1 507768 STCQQVDTZCEEBJ-UHFFFAOYSA-N 286.331 2.065 50 40 CEGB Nc1ccc(O)c(C(=O)N/N=C\c2ccc(Cl)cc2)c1 33306341 FPFVYRGZHDPIDT-IUXPMGMMSA-N 289.722 2.392 50 40 CEGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccccc1O 13950433 BGRDFWYHQREQHK-YVLHZVERSA-N 298.298 2.275 50 40 CEGB O=C1[C@H](Br)CCN1c1ccccc1F 62152140 KRQZEPZBABMOPQ-SSDOTTSWSA-N 258.090 2.326 50 40 CEGB N#CCC(=O)N/N=C/c1ccc2c3c(cccc13)CC2 408719938 QBEYGQHFMGHQSB-VCHYOVAHSA-N 263.300 2.302 50 40 CEGB Cc1cccc(NC(=O)CI)c1 39253963 JPBYCXUVZPMXHA-UHFFFAOYSA-N 275.089 2.369 50 40 CEGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1O 100937144 HADKJZRNEAFHSM-ZFAGHGMXSA-N 256.305 2.320 50 40 CEGB Cc1cccc(OCC(=O)N/N=C\c2ccncc2)c1C 30838758 MKYBGTGVZKDVCW-ZDLGFXPLSA-N 283.331 2.228 50 40 CEGB C[C@@]12[C@@H](Br)[C@H]3[C@H]4C[C@@H]5[C@H](C(=O)[C@H]1[C@@H]53)[C@@H]42 100019717 DYJXAYHLFCEUAR-WOUGYSDLSA-N 253.139 2.097 50 40 CEGB CC1(C)CC(=O)C/C(=N\NC(=O)COc2ccccc2)C1 100032168 IGMSSJYCPXGUIO-SFQUDFHCSA-N 288.347 2.317 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2\C[C@H]3C=CC[C@@H]23)cc1 20786032 RVQGIYQNRBVDBU-VMNNHZPZSA-N 269.348 2.475 50 40 CEGB C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 4017597 GQJAUHAZDPOCLN-ZROIWOOFSA-N 273.248 2.342 50 40 CEGB N#C/C(=C\c1ccncc1)C(=O)Nc1nccs1 6210138 HJBDSPOQZYHVNB-JXMROGBWSA-N 256.290 2.084 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccccc2C)cn1 4724711 BJGHNJHEMCABGV-YVLHZVERSA-N 253.305 2.462 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccc(C)o2)cc1 32171792 UEKWKFFGJRARMZ-DHDCSXOGSA-N 258.277 2.361 50 40 CEGB CCCCCC1=C(C(C)=O)C(N)=C(C#N)C1(C#N)C#N 4149818 JYYRXLRBXZIYLB-UHFFFAOYSA-N 268.320 2.236 50 40 CEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccoc1 2118194 GOAVATSLOKIUGD-CYBMUJFWSA-N 286.287 2.090 50 40 CEGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1 93802 HTSFWLZHGCFJMX-PBSOMRJOSA-N 284.315 2.310 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCC2)c1C 18102870 ATQZORVJAHUMNG-GFCCVEGCSA-N 290.363 2.018 50 40 CEGB COc1ccc(CC(=O)NN=C2CCCC2)cc1OC 59515912 XNOWPYUQCCZUCU-UHFFFAOYSA-N 276.336 2.293 50 40 CEGB CCOc1ccccc1C(=O)N/N=C/c1ccoc1 15934199 RFJZBDUNKVTJIS-OQLLNIDSSA-N 258.277 2.442 50 40 CEGB CC(C)C/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 4158417 GAUZQILUXFDVDS-RIYZIHGNSA-N 279.296 2.122 50 40 CEGB C[C@H](OC[C@@H]1CCCCO1)C(=O)NN(C)c1ccccc1 65577045 VWRKYTBNHHTTHG-ZFWWWQNUSA-N 292.379 2.128 50 40 CEGB CC(C)/C=N/NC(=O)COc1ccc(Cl)cc1 5383990 NJUNLSFDKSTLPX-VGOFMYFVSA-N 254.717 2.477 50 40 CEGB CN1C(N)=C(C#N)[C@H](c2cccs2)C2=C1CCCC2=O 409140817 SQAXEANWJAGMES-CYBMUJFWSA-N 285.372 2.478 50 40 CEGB Cn1cccc1/C=N/NC(=O)c1ccccc1Cl 36287802 NJSUVGYFYADSSY-OQLLNIDSSA-N 261.712 2.442 50 40 CEGB N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 5638339 KRJTUXLTOYMPME-UHFFFAOYSA-N 299.717 2.286 50 40 CEGB O=C(N/N=C\c1cccs1)c1cc([N+](=O)[O-])ccc1O 16430458 JPDLCUQIHJHTSQ-QPEQYQDCSA-N 291.288 2.126 50 40 CEGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1 358099 WMRHERYDCDLNPZ-WOJGMQOQSA-N 296.330 2.194 50 40 CEGB CC(C)(C)CC(=O)NNC(=O)c1c[nH]c2ccccc12 17523386 BQTZTNXFXAEPIG-UHFFFAOYSA-N 273.336 2.365 50 40 CEGB O=C(CCl)NCCc1ccccc1OC(F)F 3445938 KUPBXGGVEYGLDF-UHFFFAOYSA-N 263.671 2.186 50 40 CEGB COc1ccc(C(=O)N/N=C(\C)c2ccccn2)cc1 5289193 NUAMTLNIVZMKFW-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB Cn1cccc1CC(=O)N/N=C\c1cn(C)c2ccccc12 71335816 PNKYLXYTFSVROZ-WQRHYEAKSA-N 294.358 2.210 50 40 CEGB NC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 3572423 HPCLUOLCRUIZIU-MHWRWJLKSA-N 255.277 2.481 50 40 CEGB COCCNC(=O)/C(C#N)=C/C1=Cc2ccccc2O[C@@H]1C 6454956 BXUGGFIHZCCFFZ-JXCQQFQQSA-N 298.342 2.063 50 40 CEGB CCCCCCC[C@@H]1C[C@@H](/C(C)=N/NC(N)=O)OC1=O 8686368 OZPFGYAUILEWCF-GIBJHAEVSA-N 283.372 2.323 50 40 CEGB CC(=NNC(=O)Cn1nccc1C)c1ccc(C)cc1 254631076 GXNNAHAQFJYZFR-UHFFFAOYSA-N 270.336 2.040 50 40 CEGB C/C(CC(=O)NC1CCCC1)=N\NC(=O)OC(C)(C)C 12362405 ZAGMCUXLZPULAS-MHWRWJLKSA-N 283.372 2.336 50 40 CEGB CC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 1569139 XTXISTYUMAGOCV-UHFFFAOYSA-N 262.096 2.166 50 40 CEGB CCO[C@H](C)OCCCI 1612372 LDBYWEAZJUSHNW-ZETCQYMHSA-N 258.099 2.211 50 40 CEGB C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OC)c1O 105966453 ZTLNNNYTGLXSPE-WDZFZDKYSA-N 274.345 2.322 50 40 CEGB CCOc1ccc(/C=C(/C#N)C(=O)NC)cc1Cl 408771178 DIKYLWCJWSJKCX-POHAHGRESA-N 264.712 2.392 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)o2)cc1 408995859 BQIPNHSKIARXDV-MHWRWJLKSA-N 271.320 2.418 50 40 CEGB CC(C)(C)C(=O)N/N=C\c1ccc([N+](=O)[O-])s1 5069221 PMCDCKNQBMQKKD-WDZFZDKYSA-N 255.299 2.153 50 40 CEGB COc1cccc(/C=N/NC(=O)CCc2ccccc2)c1O 59206 YTAGXIFZWSHCSM-LDADJPATSA-N 298.342 2.484 50 40 CEGB CC1=CC(=O)OC(=O)/C1=C/c1ccc(N(C)C)cc1 104352637 QPPCEZGQJXZSEV-UKTHLTGXSA-N 257.289 2.166 50 40 CEGB COC(=O)N/N=C(\C)c1ccccc1OC(F)F 5505635 AYHDJPXWIPFMNR-VGOFMYFVSA-N 258.224 2.368 50 40 CEGB CC(C)Oc1ccc(C(=O)NNC(=O)C2CCCC2)cc1 15915209 SHQHVTYHGIASSY-UHFFFAOYSA-N 290.363 2.425 50 40 CEGB COc1ccc2c(c1)C(=O)N(CBr)C2 16697051 KJOPVBGYBVIAEN-UHFFFAOYSA-N 256.099 2.003 50 40 CEGB Fc1cnc(N2CCC[C@H](CBr)C2)nc1 79440394 LGHWBCVLSVKLLH-MRVPVSSYSA-N 274.137 2.227 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccncc2)c1 117917 VCSCJFMFFIUINQ-FHXOWUIVSA-N 283.331 2.308 50 40 CEGB CCOC(=O)[C@@H](Br)C(=O)c1ccccc1F 16158301 VBIBJUNLXFTZCU-VIFPVBQESA-N 289.100 2.335 50 40 CEGB COc1ccc(/C=N/NC(N)=O)cc1OCc1ccccc1 3469331 SRYRICCLJDBZEN-VCHYOVAHSA-N 299.330 2.276 50 40 CEGB CC[C@@H](C)C(=O)N/N=c1/c(=O)c2cccc3cccc1c32 102153554 WKIANURKKXULQC-FGDDNGJNSA-N 280.327 2.207 50 40 CEGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(O)cc2)c1 2655939 LYGUBFWCWICNCA-GZTJUZNOSA-N 283.331 2.222 50 40 CEGB CCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1 78674096 XKABYFIJNBIRNT-UHFFFAOYSA-N 266.688 2.243 50 40 CEGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccccn1 4724111 UPVOPOIFCJTIQE-MFOYZWKCSA-N 289.722 2.264 50 40 CEGB CCN(CC)c1ccc(/C=C(/C#N)S(C)(=O)=O)cc1 96765698 OICKPRNIYCPFQP-UVTDQMKNSA-N 278.377 2.442 50 40 CEGB CN(C(=O)CI)c1ccccc1 72226300 AEKNNFQRMWYGTR-UHFFFAOYSA-N 275.089 2.084 50 40 CEGB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCl 83318429 KYVISGDNMLUVHY-ZJUUUORDSA-N 290.791 2.177 50 40 CEGB CC(C)n1c(Cc2ccccc2)ccc1C(=O)NN 226027818 NLJRYYWUEYLEST-UHFFFAOYSA-N 257.337 2.263 50 40 CEGB CC(C)(C)OC(=O)N1CC[C@@H](n2cc(CCl)nn2)C1 575414993 DPGWQDMKPIJWKR-SNVBAGLBSA-N 286.763 2.199 50 40 CEGB O=C(CBr)c1cccc(Br)n1 95635275 SXXDYQVZPQXUQJ-UHFFFAOYSA-N 278.931 2.422 50 40 CEGB in-vitro O=C1CN(C(=O)CCl)c2ccc(C(F)(F)F)cc2N1 12504861 YESRDQRPLUOUDE-UHFFFAOYSA-N 292.644 2.229 50 40 CEGB O=C(N/N=C/c1ccc(O)cc1)c1ccccc1F 3261237 ITUYHIDOYAYRMT-CXUHLZMHSA-N 258.252 2.295 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2)C1 13496635 NRMGDAPUNBHKQQ-UHFFFAOYSA-N 258.321 2.194 50 40 CEGB CCC(=O)Nc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 45953774 QLAKLIJFIMGQEV-SECBINFHSA-N 294.738 2.153 50 40 CEGB Cc1cccc(N[C@H](C)C(=O)N/N=C/c2ccccn2)c1 370252 SSMYSKMZWUJGOA-VBEHJTROSA-N 282.347 2.341 50 40 CEGB CC(C)OC(=O)[C@H](Cl)[C@H](Cl)C(=O)OC(C)C 1683368 VYKYVJZVYXYSET-OCAPTIKFSA-N 271.140 2.104 50 40 CEGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccccc1 59435547 JPINSJUSIXNIKV-OQLLNIDSSA-N 287.344 2.145 50 40 CEGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 1467454 IYUYQSNOQMFGKA-KPKJPENVSA-N 297.270 2.411 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1 28565124 SOJINLCCSAUMIK-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)OCCO2 5289509 YMIVSUKBBBHWOU-WOJGMQOQSA-N 297.314 2.007 50 40 CEGB COc1cccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)c1 17024494 YNUFBPJADVEVIH-IQFISFIMSA-N 298.342 2.269 50 40 CEGB Cc1nc2cc(NC(=O)NN(C)C)ccc2s1 408977583 JBELOGZMWMWNGD-UHFFFAOYSA-N 250.327 2.203 50 40 CEGB CC(C)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1 569092 WSEIQLLYZHTPBZ-UHFFFAOYSA-N 283.331 2.280 50 40 CEGB O=C(N/N=C/c1ccccn1)c1cccc(Cl)c1 2749711 KHXLDDXUBMZEDQ-CXUHLZMHSA-N 259.696 2.499 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 37389579 KUSPGFDAPLUYCI-SECBINFHSA-N 266.728 2.379 50 40 CEGB in-vitro CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1 408795168 BPDZJMYMHZHKEK-LUHPIMIVSA-N 286.331 2.295 50 40 CEGB CCc1ccc(CC(=O)N/N=C/c2ccc[nH]2)cc1 409361843 DLPREEMGFHITIR-GZTJUZNOSA-N 255.321 2.270 50 40 CEGB CCOC(=O)C[C@@H](C)NC(=O)Oc1ccc([N+](=O)[O-])cc1 218256519 VOFLHUSHNHGWQZ-SECBINFHSA-N 296.279 2.025 50 40 CEGB C#CCOC[C@@H](CCl)OC(=O)Nc1ccccc1 5500406 IHYVSDJUGJITNK-GFCCVEGCSA-N 267.712 2.492 50 40 CEGB C[C@H](c1ccccc1)N1CCN(C(=O)CCl)CC1 20268185 SFALRUMUWIIQMK-GFCCVEGCSA-N 266.772 2.131 50 40 CEGB in-vitro O=Cc1cc(N(CCCl)CCCl)ccc1O 1674744 HXXATXMZSMWAOF-UHFFFAOYSA-N 262.136 2.489 50 40 CEGB C[C@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 100296975 BLUAFEHZUWYNDE-MZYZVZIRSA-N 282.336 2.395 50 40 CEGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccnc1 2356596 XCZCHEOEDXRVDX-XYOKQWHBSA-N 265.272 2.333 50 40 CEGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCc1ccco1 6192188 XDMWEFDNAJRXDQ-SDQBBNPISA-N 296.282 2.232 50 40 CEGB COc1cccc(CC(=O)N/N=C\c2ccsc2)c1 408994754 INARNDRJTWNEGX-DHDCSXOGSA-N 274.345 2.450 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 36151698 VQFCPJVCOAGJIZ-SXGWCWSVSA-N 299.286 2.373 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc(C)ccc1OC 102882062 IDXWFKMEKDOMQY-PKNBQFBNSA-N 260.293 2.386 50 40 CEGB Cc1ccc2c(c1)/C(=N/NC(=O)c1cccn1C)C(O)=N2 61466222 NDKHYBIGOURJBS-UHFFFAOYSA-N 282.303 2.069 50 40 CEGB C[C@]1(C(=O)NNC(=O)C2CCCCC2)CC1(Cl)Cl 2344643 RSMJHMCIIQRQNK-LLVKDONJSA-N 293.194 2.298 50 40 CEGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1cccc(O)c1 5126211 JOYMPBPOJMARJI-YBEGLDIGSA-N 286.335 2.393 50 40 CEGB O=C1C(=O)N(CCBr)c2c(Cl)cccc21 42111220 UEDCFZGLYKQZLN-UHFFFAOYSA-N 288.528 2.264 50 40 CEGB CCS/C(=N\C(=O)OC)N(N=C(C)C)C(=O)OC 255188924 MQFYUZDCPRPHEH-FLIBITNWSA-N 275.330 2.326 50 40 CEGB NNC(=O)N/N=C/c1c2ccccc2cc2ccccc12 6476621 KZYUWOJSVKKXCS-VCHYOVAHSA-N 278.315 2.500 50 40 CEGB O=C(N/N=C/c1ccc2cccc(O)c2n1)c1ccncc1 42226 QQUJBYPCLIELSF-VCHYOVAHSA-N 292.298 2.099 50 40 CEGB COC(=O)c1ccccc1NC(=O)CCCCl 6126449 IHHOMPVBUHRCEY-UHFFFAOYSA-N 255.701 2.431 50 40 CEGB COc1ccnc(NNC(=O)[C@H]2CCCc3ccccc32)n1 46365588 JPKXEQRFRKHIIV-ZDUSSCGKSA-N 298.346 2.048 50 40 CEGB O=[N+]([O-])c1ccc2c(c1)CO[C@@H](CBr)OC2 1421261 DHMXONYICFOWSL-JTQLQIEISA-N 288.097 2.363 50 40 CEGB CC(=O)Nc1ccccc1C(=O)NN=C1CCCC1 4013039 FXHACEQFCIBJTB-UHFFFAOYSA-N 259.309 2.305 50 40 CEGB CCOC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1 7948709 GLVOBOSRSAWDMN-LFIBNONCSA-N 272.308 2.342 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 136237 DMSCROUHMZAJNJ-LICLKQGHSA-N 297.314 2.115 50 40 CEGB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)Cl 5568106 OPZNAUIWZLOLGB-UHFFFAOYSA-N 267.043 2.476 50 40 CEGB O=C(NNC(=O)Oc1ccccc1)Oc1ccccc1 14442109 VWEMOMMJSLAZNO-UHFFFAOYSA-N 272.260 2.479 50 40 CEGB COc1ccc(NC(=O)N(CCCl)N=O)cc1OC 4973280 XUHCHWLBJCQFLB-UHFFFAOYSA-N 287.703 2.458 50 40 CEGB CCOc1ccccc1C[C@H](Br)C(=O)O 107843353 AIQMLWRSYZXCJK-VIFPVBQESA-N 273.126 2.476 50 40 CEGB N#Cc1ccc(NC(=O)NNc2ccccn2)cc1 12546192 PBCNDCDVPGUIEN-UHFFFAOYSA-N 253.265 2.102 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2F)cc1 6221127 NEFDOBVTZDWTJM-UHFFFAOYSA-N 290.269 2.348 50 40 CEGB CCOC(=O)N/N=C\c1ccc(N(C)CCC#N)cc1 31729003 BFUZNBPCAZYVOF-WJDWOHSUSA-N 274.324 2.116 50 40 CEGB C[C@]12[C@@H](Br)[C@@H]3[C@@H]4C[C@@H]5[C@@H](C(=O)[C@@H]1[C@@H]53)[C@@H]42 195529055 DYJXAYHLFCEUAR-TVSXTXIZSA-N 253.139 2.097 50 40 CEGB O=S(=O)(CF)c1ccc(CBr)cc1 85390872 YVNSCDICZSFWOA-UHFFFAOYSA-N 267.119 2.282 50 40 CEGB COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C)C(=O)NN 260714657 DNWNTFMHHZTNAW-WDEREUQCSA-N 291.395 2.166 50 40 CEGB O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@H]1Cl 5133989 AVQDABCAQFMRFT-HTQZYQBOSA-N 268.144 2.468 50 40 CEGB C/C(=N\NC(=O)c1ccc(N)cc1)c1ccccc1O 13856416 RMHRWYVPRDQOST-LICLKQGHSA-N 269.304 2.128 50 40 CEGB O=Cc1cccn1-c1ccc(OC(=O)CCl)cc1 59549665 SBEBSFOPSJYCQG-UHFFFAOYSA-N 263.680 2.434 50 40 CEGB CCCC(=O)NNC(=S)Nc1cccc(C)c1C 6389158 DRJUKAFQPYROEE-UHFFFAOYSA-N 265.382 2.421 50 40 CEGB NC(=O)N/N=C/CC(=O)c1ccc(Cl)cc1Cl 16384876 TVBZKYZVWLXRPS-LNKIKWGQSA-N 274.107 2.220 50 40 CEGB O=C1OC(=O)c2ccccc2/C1=N\Nc1ccc(F)cc1 100922991 IJSKXPPTMPDWMB-QGOAFFKASA-N 284.246 2.339 50 40 CEGB Cn1c(CC(=O)N/N=C/c2cccs2)nc2ccccc21 3578760 PPFJUHPEMLVCBU-MHWRWJLKSA-N 298.371 2.328 50 40 CEGB C[C@@H](CBr)CN1C(=O)c2ccccc2C1=O 39023853 NAWIPGKAGCJNBR-QMMMGPOBSA-N 282.137 2.314 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)o1 408723809 QFVTVBLXKIDZMP-OMCISZLKSA-N 288.332 2.176 50 40 CEGB O=C(CCl)NCc1ccc(CN2CCCC2)cc1 62152065 KXLMZVGRJMNZHI-UHFFFAOYSA-N 266.772 2.137 50 40 CEGB in-vitro NC(=O)N/N=C/CC(=O)c1ccc(Cl)c(Cl)c1 16384416 OOYHFGKYMGXNSB-LNKIKWGQSA-N 274.107 2.220 50 40 CEGB O=C(N/N=C/c1cccnc1)c1ccccc1Cl 112765 GQHBRKSTBFJEBG-CXUHLZMHSA-N 259.696 2.499 50 40 CEGB N#CC1=C(N)NC2=C(CCCC2)[C@@]12C(=O)Nc1ccccc12 100931562 UEFORZGSFUXVKK-KRWDZBQOSA-N 292.342 2.002 50 40 CEGB Cc1cccc(NC(=O)NNC(=O)c2ccco2)c1 12591276 HSOWXOXEBLAAPG-UHFFFAOYSA-N 259.265 2.055 50 40 CEGB C#CCOc1ccc(/C=C(\C#N)C(=O)OC)cc1OCC 13141591 TXWSLRCQMDFFLR-UKTHLTGXSA-N 285.299 2.177 50 40 CEGB CC[C@H](C)[C@@H](N)C(=O)N/N=C/c1cccc2cccnc12 13748887 KCBKLIPXMIQYBE-JYLVAOTJSA-N 284.363 2.058 50 40 CEGB CCCCNC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1 5175341 DXPHUJJANNYYDV-WQLSENKSSA-N 274.320 2.224 50 40 CEGB CCCCC(=O)N/N=C\c1ccc(OC)c(OC)c1 31670243 OGDVUZIBIBXCDI-GDNBJRDFSA-N 264.325 2.344 50 40 CEGB CC(=O)Nc1ccc(/C=N/NC(=O)c2cccs2)cc1 3341012 GLEHBDPQZSOWAG-OQLLNIDSSA-N 287.344 2.470 50 40 CEGB O=C(N/N=C/c1ccco1)c1cncc(Br)c1 257452 JLQLAKHNWVFBSV-VGOFMYFVSA-N 294.108 2.201 50 40 CEGB O=C(N/N=C/c1ccccc1OC(F)F)c1ccncc1 6889407 FXZGRNLGDAXDSS-GIJQJNRQSA-N 291.257 2.447 50 40 CEGB Cc1cc(NC(=O)CCl)ncc1Br 45921962 PFWNQWXOWWJAFM-UHFFFAOYSA-N 263.522 2.330 50 40 CEGB COC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCC1 5526254 JGWOJJKVZKGHBU-LBPRGKRZSA-N 287.344 2.444 50 40 CEGB CC1(C)[C@]2(C(=O)NNc3ccccc3)CC[C@@]1(C)C(=O)O2 2882111 HBUHISLAFDATEA-JKSUJKDBSA-N 288.347 2.252 50 40 CEGB CCC(=O)Nc1cccc(NC(=O)CBr)c1 35605219 BZHVFABXPWJRBK-UHFFFAOYSA-N 285.141 2.369 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 33362194 OYGKLXGNRYPWOR-XFFZJAGNSA-N 259.265 2.026 50 40 CEGB C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccncc1 15895369 SLYIKCZQAMLYBX-MHWRWJLKSA-N 271.324 2.082 50 40 CEGB NNC(=O)/C=C/c1cccc(OCc2cccc(F)c2)c1 226338986 COBIVIGPFUYMGY-BQYQJAHWSA-N 286.306 2.408 50 40 CEGB CCCCNC(=S)NNC(=O)c1csc(C)c1C 8684278 GFYPBFCLRNYMIL-UHFFFAOYSA-N 285.438 2.274 50 40 CEGB C[C@@H]1CCCC/C1=N/NC(=O)c1ccc(O)cc1O 13322322 POBGRGCPLLNADS-MCQFYPOTSA-N 262.309 2.394 50 40 CEGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccccc1 48545788 SLDZQVMQEHKVBU-CSKARUKUSA-N 298.342 2.277 50 40 CEGB CCOC(=O)C(C)(C)CI 147641116 GLTXTRRNPCBEGZ-UHFFFAOYSA-N 256.083 2.011 50 40 CEGB CCCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253398931 HVTJXVXDHLQEAN-AWEZNQCLSA-N 298.346 2.108 50 40 CEGB COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccncc1 5335564 UPPJTOFWTUHVBB-HNNXBMFYSA-N 279.299 2.308 50 40 CEGB Cc1ccc(COc2ccc(CCC(=O)NN)cc2)cc1 226345085 PJRDMDQWMRFEMC-UHFFFAOYSA-N 284.359 2.497 50 40 CEGB O=C(N/N=C/C1CCCCC1)c1ccc(O)cc1O 16990276 SXBDPYWDHBHGQC-OQLLNIDSSA-N 262.309 2.394 50 40 CEGB Cn1cccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408543418 QZBVHGQBXWZQND-XFXZXTDPSA-N 295.298 2.269 50 40 CEGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc2cc[nH]c12 85967605 JNJKCFYBJKTZQJ-GIJQJNRQSA-N 295.298 2.343 50 40 CEGB BrCCC1(CCBr)OCCO1 100051659 NXMURIASTYIOQB-UHFFFAOYSA-N 287.979 2.300 50 40 CEGB O=C1c2ccccc2C(=O)N1OCCCCCl 11917712 DCVKEWBONIBEFU-UHFFFAOYSA-N 253.685 2.233 50 40 CEGB O=C(CSc1ccccn1)N/N=C/c1cccc(O)c1 547822 CSIBYQNQAMVRLR-CXUHLZMHSA-N 287.344 2.030 50 40 CEGB O=C(NCCBr)c1c(F)cccc1F 6925691 MIADIXPPGTZJRZ-UHFFFAOYSA-N 264.069 2.090 50 40 CEGB O=C(NNc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O 8619317 IFSBNOFAHOXXEW-AWEZNQCLSA-N 299.330 2.009 50 40 CEGB C/C(=N\NC(=O)C1CC1)c1ccc(-n2ccnc2)cc1 5071413 MSKXIYYLQNOCRV-GZTJUZNOSA-N 268.320 2.123 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(Cl)cc1 96518934 ODKYVRIQZXQJBD-UWVGGRQHSA-N 283.176 2.373 50 40 CEGB C[C@H]1CC[C@@H](C)N1P(=O)(N1C[C@H]1C)N1C[C@H]1C 263632866 CQRYKXDHRSDBKV-IXNUAJCPSA-N 257.318 2.376 50 40 CEGB O=C(N/N=C\c1ccccc1Cl)c1ccccn1 19849610 UQLGATAAIPGKPM-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1cccc(C)n1 59484659 VRFKLUHPOHUQSB-MHWRWJLKSA-N 269.304 2.163 50 40 CEGB CCOC(=O)N/N=C(\C)c1[nH]c(C)c(C(=O)OCC)c1C 6154887 HROMEHBRCZKQRF-MHWRWJLKSA-N 295.339 2.278 50 40 CEGB CC(=O)NNc1nc(-c2ccccc2)c(NC(C)=O)s1 72238716 XJYQNTVPQYCHOV-UHFFFAOYSA-N 290.348 2.232 50 40 CEGB NC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 33842979 SNXQQRSZKXEUCP-YVLHZVERSA-N 269.304 2.268 50 40 CEGB O=C(NN=Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 254393092 CXBRFYPLJLFCSG-UHFFFAOYSA-N 287.250 2.498 50 40 CEGB COc1ccc(C(=O)NN=C2CCCC2)cc1OC 5164065 XMDROOYANQVMHT-UHFFFAOYSA-N 262.309 2.364 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)Nc1ccccc1 143472 WBQPCOBDBIQZKZ-UHFFFAOYSA-N 283.331 2.472 50 40 CEGB C/C(=N\NC(=O)c1ccc(N)cc1)c1cccc(N)c1 12362490 IGIYRNMPMIXRKD-VCHYOVAHSA-N 268.320 2.005 50 40 CEGB CCC[C@@H](C(=O)NNC(=O)c1ccncc1)c1ccccc1 3399525 WFDTWCYRLPITMG-OAHLLOKOSA-N 297.358 2.427 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccccc1OCC 10156418 WIRMPZNKYPQRJR-ZHACJKMWSA-N 260.293 2.468 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2sc(C)nc2C)c(C)o1 65553939 BKOLWGIGJYMQMT-UHFFFAOYSA-N 293.348 2.045 50 40 CEGB Cc1cc(O)cc(O)c1/C=N\NC(=O)c1ccc(F)cc1 4784564 JHLWNUJCFWNMHK-IUXPMGMMSA-N 288.278 2.309 50 40 CEGB CC(=O)N1CCc2sc(C(=O)CCl)cc2C1 83255256 JQOGBRLFUNTMLR-UHFFFAOYSA-N 257.742 2.074 50 40 CEGB in-vitro O=C(N/N=C\c1ccc(N2CCCC2)o1)c1ccco1 408855914 ORHHNGDRKFXGDY-GDNBJRDFSA-N 273.292 2.237 50 40 CEGB COc1ccc2c(c1)C[C@H](CI)O2 218742996 PLRNRCGIPZLBQM-SECBINFHSA-N 290.100 2.434 50 40 CEGB C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1O 17027273 KVHWIGHZJOAXTN-SXGWCWSVSA-N 284.319 2.147 50 40 CEGB COC(=O)N/N=C/c1ccc(Br)s1 182635 HGYZTMYZVYDVTO-RUDMXATFSA-N 263.116 2.201 50 40 CEGB C[C@H](NC(=O)OCc1ccccc1)C(=O)CCl 34206665 ASDQMJAOUJQRCM-VIFPVBQESA-N 255.701 2.109 50 40 CEGB in-vivo N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(N)=O 98053881 KWYZPIYJZYYBRY-FLIBITNWSA-N 294.339 2.455 50 40 CEGB C=C(C)C(=O)OC[C@@H](Br)C(F)(F)F 1083811128 ZEKBKHZSHWCIHC-RXMQYKEDSA-N 261.037 2.432 50 40 CEGB COc1ccccc1/C=N/NC(=O)CNc1ccccc1 7009138 HQVUGZLPHIIDNT-WOJGMQOQSA-N 283.331 2.257 50 40 CEGB N#CC(C#N)=CNCc1nn(-c2ccccc2)c2c1CCC2 55010342 SEELOECUVWFVNI-UHFFFAOYSA-N 289.342 2.382 50 40 CEGB CCOC(=O)/C(C#N)=C\NCCc1c[nH]c2ccccc12 104223638 KPBPSVSVSIQKCH-RAXLEYEMSA-N 283.331 2.271 50 40 CEGB O=C(CCC1CCCCC1)NNC(=O)c1ccncc1 13019484 NXLKAEKFVIFSRJ-UHFFFAOYSA-N 275.352 2.203 50 40 CEGB COC(=O)C1=C(CCl)N(C)C(=O)N[C@@H]1c1ccccc1 6664613 RGVQYRBRALOHMC-GFCCVEGCSA-N 294.738 2.049 50 40 CEGB O=C(/C=C/c1ccco1)NNc1ncnc2ccccc12 6784384 MNMWHZPCMGSXKH-BQYQJAHWSA-N 280.287 2.379 50 40 CEGB Cc1ccc(C(=O)NN=C2C[C@@H]3CC[C@H](C2)N3C)s1 6846685 JUWODUAYRBSGIE-TXEJJXNPSA-N 277.393 2.399 50 40 CEGB Cc1ccc(N2Cc3ccc(C(=O)NN)cc3C2)cc1 408727986 HGCKYAZSGAINBS-UHFFFAOYSA-N 267.332 2.119 50 40 CEGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nccs1 16991905 XLSGQZCUOSWNDW-YFHOEESVSA-N 271.301 2.394 50 40 CEGB COc1ccc(C(=O)N/N=C/c2cc(C)n(C)c2C)cc1 408773981 UTBHADSJFMGQJB-LICLKQGHSA-N 285.347 2.414 50 40 CEGB CC(C)(C)OC(=O)N[C@H]1COC[C@@H](Br)C1 952958909 OGMLCLNFCCCNRV-JGVFFNPUSA-N 280.162 2.064 50 40 CEGB O=C(CBr)C(=O)c1ccc(Cl)cc1 57548872 BZZZQWXECDPSGB-UHFFFAOYSA-N 261.502 2.487 50 40 CEGB C[C@H](I)C(=O)Nc1ccccc1 72226313 OBEYDDXSDXVDLL-ZETCQYMHSA-N 275.089 2.449 50 40 CEGB Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1 41213382 MINFKPFQLYCCID-RQZCQDPDSA-N 257.268 2.172 50 40 CEGB O=C(N/N=C\c1c[nH]c2ccccc12)[C@H](O)c1ccccc1 86040586 XZPRGEIKKWWZRI-VXIUPONVSA-N 293.326 2.352 50 40 CEGB Cc1ccc(C(=O)NNc2ccnc(Cl)n2)cc1 98063940 SQINCSHOULPSAI-UHFFFAOYSA-N 262.700 2.195 50 40 CEGB COC(=O)Cc1ccc(CBr)cc1F 169796742 XJFUNGZENHNDCW-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB CC[N+](C)(CC)CCN(C(C)=O)N(C)c1ccccc1 5469263 PHCJALBXWYEAKU-UHFFFAOYSA-N 278.420 2.373 50 40 CEGB CCNc1nn2ccccc2c1/C=C(/C#N)C(=O)OCC 1570468 FICGKGCVBUDYGM-LUAWRHEFSA-N 284.319 2.236 50 40 CEGB COC(=O)c1sc2ncccc2c1NC(=O)CCl 9482425 JWNVXUXYRGKYKA-UHFFFAOYSA-N 284.724 2.260 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccccc2C(=O)O)cc1 33918565 BINZOAOSCFZENS-YVLHZVERSA-N 298.298 2.157 50 40 CEGB COc1ccccc1C(=O)N/N=C\c1ccccc1[N+](=O)[O-] 34722020 GVYYJUIAYQCRDB-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB COc1ccc(/C(=C/C=C(C#N)C#N)N2CCOCC2)cc1 2385034 RQGJHNXZAPSVMD-IDUWFGFVSA-N 295.342 2.342 50 40 CEGB O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 3097450 LQQWDIKRLCNTFI-MHWRWJLKSA-N 268.272 2.149 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1O 54841903 GGLOWTQPXUHWEX-WQLSENKSSA-N 286.331 2.367 50 40 CEGB CNC(=O)C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C 198122494 HXKROIHBEBVHRL-JTQLQIEISA-N 289.448 2.076 50 40 CEGB in-vitro O=C(N/N=C/C=C/c1ccco1)c1ccc2c(c1)OCCO2 3113978 HYWASYKCJOKRSB-FGLBKGJBSA-N 298.298 2.480 50 40 CEGB Cc1ncsc1C(=O)NNc1oc(C(C)C)nc1C#N 63852019 SDMYJHCXXGSTQT-UHFFFAOYSA-N 291.336 2.192 50 40 CEGB O=C(Cc1ccccc1Cl)N/N=C/c1cccnc1 15933708 MPXFLLLVRWUIQU-LICLKQGHSA-N 273.723 2.428 50 40 CEGB CCn1nc(/C(C#N)=C/c2ccc(OC)cc2)c(C#N)c1N 408973639 NCHYFUKKJSUNJV-XYOKQWHBSA-N 293.330 2.430 50 40 CEGB O=S(=O)(O)c1cccc(Br)c1CCCl 199759180 ZJHLVHKNWLTETF-UHFFFAOYSA-N 299.573 2.477 50 40 CEGB Cc1cccc(OCC(=O)N/N=C/c2cccnc2)c1C 253169 XIMCSYTUACQQFA-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 143103 SWVLEZBOJRWRJB-UHFFFAOYSA-N 268.316 2.378 50 40 CEGB C[C@H]1CCCC/C1=N/NC(=O)c1cc(O)ccc1O 102333590 YJYRRCLPSWMQFB-YHMWOKNVSA-N 262.309 2.394 50 40 CEGB CC(=O)Nc1ccccc1C(=O)N/N=C/c1ccccc1O 3151710 XLRNWIYOSIMQIM-LICLKQGHSA-N 297.314 2.115 50 40 CEGB CC(C)=CC(=O)NNC(=O)c1ccc(Br)cc1 22926943 CUVAWLRJUHZVLU-UHFFFAOYSA-N 297.152 2.176 50 40 CEGB O=C(N/N=C/[C@H]1CCOC1)c1ccccc1Br 54278347 YSYDPJYGQKUUDJ-CULDGANSSA-N 297.152 2.201 50 40 CEGB O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1cc(O)ccc1O 20436307 LCGLYIYCOPABGX-QHFVXVAJSA-N 260.293 2.004 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1C 408776030 MMHYYDLVVRIBCL-JYRVWZFOSA-N 258.321 2.435 50 40 CEGB COc1ccccc1NC(=O)N/N=C\c1cccn1C 409108476 WENOGUUELVLPIM-GDNBJRDFSA-N 272.308 2.189 50 40 CEGB CC(C)(C(=O)NN)c1csc(-c2ccccc2)n1 78404202 UJZVKZZPDYTXBP-UHFFFAOYSA-N 261.350 2.078 50 40 CEGB CCOC(=O)/C(C#N)=C(\S)Nc1ccccc1OC 15022683 RECOCHLLJXMGEQ-XFXZXTDPSA-N 278.333 2.335 50 40 CEGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1 5858439 UPUFGDVFKFICHK-GZTJUZNOSA-N 282.299 2.376 50 40 CEGB CC(=O)N/N=C\c1cccn1-c1ccc(N(C)C)cc1 15012967 BAOBYEQEWQWBTB-WJDWOHSUSA-N 270.336 2.013 50 40 CEGB CCOC(=O)C[C@@H](O)CO[Si](C)(C)C(C)(C)C 195838023 NUWWQAFGGXZMNF-SNVBAGLBSA-N 262.422 2.322 50 40 CEGB in-vitro CCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1 1886856 MCMXDAUUTAGVIO-WOJGMQOQSA-N 298.342 2.484 50 40 CEGB COC(=O)c1scc(C)c1NC(=O)[C@@H](C)Cl 499652 SPKRZDZVDTWKDM-ZCFIWIBFSA-N 261.730 2.409 50 40 CEGB Cc1nc(N)sc1C(=O)N/N=C/c1ccccc1Cl 1934568 SMTBIHPQAFTXTN-GIDUJCDVSA-N 294.767 2.451 50 40 CEGB O=C(CCCl)NC[C@H]1OCCc2ccccc21 3618269 KDGHYXCICWUTDR-GFCCVEGCSA-N 253.729 2.046 50 40 CEGB CN1CCC(=NNC(=O)CCSc2ccccc2)CC1 57315318 LTKNKXFDISRKEQ-UHFFFAOYSA-N 291.420 2.367 50 40 CEGB Cc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1 12760121 GKOIFRIFTDHVKB-UHFFFAOYSA-N 272.304 2.280 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1[C@H](C)c1ccccc1 193177380 FNZMVFGRRAAJKX-LLVKDONJSA-N 257.337 2.318 50 40 CEGB COC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCC1 5526286 JGWOJJKVZKGHBU-GFCCVEGCSA-N 287.344 2.444 50 40 CEGB O=Cc1ccccc1C(=O)OCCBr 1689275 RXTHQAUHMWXNGF-UHFFFAOYSA-N 257.083 2.051 50 40 CEGB Cc1cccc(N2CCN(C(=O)CCl)C[C@@H]2C)c1 70638497 APOUHHSSGXHSMV-LBPRGKRZSA-N 266.772 2.271 50 40 CEGB CCn1cccc1/C=N/NC(=O)c1cccc(OC)c1 408935696 NFZPDEUOFNQGFH-LFIBNONCSA-N 271.320 2.281 50 40 CEGB Cc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)cc1 9721778 CPERYWLKQMIVEW-UHFFFAOYSA-N 286.331 2.209 50 40 CEGB CCOC(=O)COc1ccc(C=C(C#N)C#N)cc1 78295622 CFQCWKRGEJBMJF-UHFFFAOYSA-N 256.261 2.059 50 40 CEGB CCc1sc(/C=N\NC(N)=O)cc1Br 5716028 XJQPHULAQYZRPL-WCIBSUBMSA-N 276.159 2.075 50 40 CEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 357898 YWFZWWKDPLNMRX-OQLLNIDSSA-N 291.307 2.331 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)o1 372669 KILDLIPVCGGSJT-MHWRWJLKSA-N 271.320 2.418 50 40 CEGB CCc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1 14512117 AUEKRKRYNLTUJU-UHFFFAOYSA-N 270.336 2.413 50 40 CEGB Cc1cccc(/C=N/NC(=O)CN2Cc3ccccc3C2)c1 409193902 HIRGBSIKXODNCW-VXLYETTFSA-N 293.370 2.461 50 40 CEGB CC(C)Oc1ccc(C(=O)NNC(=O)c2ccoc2)cc1 16229099 CFHWBRKJFKDCDJ-UHFFFAOYSA-N 288.303 2.142 50 40 CEGB Cc1cccc(/C=C/C(=O)NNC(=O)c2ccoc2C)c1 8351113 OTEKHQIMTIVXLN-VOTSOKGWSA-N 284.315 2.371 50 40 CEGB Cc1cc(Br)ccc1-n1cccc1C(=O)NN 223728941 MGPMGRZROBBVBO-UHFFFAOYSA-N 294.152 2.152 50 40 CEGB O=C(N/N=C/c1ccsc1)c1ccc([N+](=O)[O-])cc1 2737864 IYMRRBJBYKUJKK-NTUHNPAUSA-N 275.289 2.420 50 40 CEGB O=C(COc1ccccc1)N/N=C/c1cccs1 580639 XOBKQXWELZJWOL-NTEUORMPSA-N 260.318 2.277 50 40 CEGB CCOc1cccc(NC(=O)CCNC(=O)[C@H](C)Cl)c1 8733197 ZHCCZROZUUTHOW-JTQLQIEISA-N 298.770 2.157 50 40 CEGB CN1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1 59406496 GCVLXFBHMOVLSI-UHFFFAOYSA-N 265.744 2.151 50 40 CEGB CC(=O)Oc1ccccc1/C=N/NC(=O)Cc1ccccc1 6293955 UBPBPANXDNICBD-LDADJPATSA-N 296.326 2.305 50 40 CEGB C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@]2(C)CC(=O)O 252504688 CQENDPLRWOGOPD-GZELUMCTSA-N 275.142 2.230 50 40 CEGB N=C(N)S/C=C(\F)C(F)(F)CBr 4643005 HNEZXFMNQBZQGS-IWQZZHSRSA-N 263.082 2.454 50 40 CEGB CCCCC(=O)N/N=C/c1c(O)cc(OC)cc1OC 1704809 PYHMRQFXLZWLDH-OQLLNIDSSA-N 280.324 2.050 50 40 CEGB O=C(NNc1ccccc1)C(=O)n1ccc2ccccc21 3064546 MEGRYNVPVBAEIZ-UHFFFAOYSA-N 279.299 2.425 50 40 CEGB COc1ccc(N2C[C@H](CBr)OC2=O)cc1 34490323 RZUIXWZEMZSSDT-JTQLQIEISA-N 286.125 2.415 50 40 CEGB C/C=C/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2)on1 27257810 UOBMCEAFGPCYMY-XPQLPGEHSA-N 297.314 2.235 50 40 CEGB Cc1ccc(N2C(=O)C[C@@]3(C[C@@H](Cl)N=N3)C2=O)cc1 5179021 ABCJMEZJDMFQHT-GWCFXTLKSA-N 277.711 2.418 50 40 CEGB NC(=O)N/N=C1/c2ccccc2-c2nc3ccccc3nc21 4482026 FWYPVMIEVVBRSZ-ZHZULCJRSA-N 289.298 2.031 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2O)n1 408980139 VITWQRCECFLWSD-MDWZMJQESA-N 267.288 2.453 50 40 CEGB COc1ccc(C(=O)N/N=C/c2cccc(C)n2)cc1 34200946 CJDXYWAXOZTPFL-MHWRWJLKSA-N 269.304 2.163 50 40 CEGB COc1ccc(OC)c(/C=N\NC(=O)c2ccccc2N)c1 36067207 JRAFILBEWYPNRG-ZDLGFXPLSA-N 299.330 2.050 50 40 CEGB CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCl)C1 79414817 RTKLJPOJZXYHKM-CQSZACIVSA-N 280.799 2.348 50 40 CEGB N#C/C(=C1/CCCCN1)S(=O)(=O)c1ccc(F)cc1F 98212076 LOXLPKHRSNLSHI-ACCUITESSA-N 298.314 2.247 50 40 CEGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(F)cc1 253972 TZZVVMMGGVAUHB-LZYBPNLTSA-N 274.251 2.001 50 40 CEGB CCOc1cccc(NC(=O)CCNC(=O)[C@@H](C)Cl)c1 8733196 ZHCCZROZUUTHOW-SNVBAGLBSA-N 298.770 2.157 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 59156869 JIXGOIDOADJLQA-LDADJPATSA-N 296.326 2.468 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 12954193 NKURIEFMYPJUGJ-MFKMUULPSA-N 284.315 2.474 50 40 CEGB C[C@@H](Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1 13609451 SQHVUCXOXGHTTH-SNVBAGLBSA-N 270.735 2.102 50 40 CEGB C/C=C/C(=O)OC[C@@H](Br)CBr 1676096 JRCKVRQGCZBOAD-SZKDQXIBSA-N 285.963 2.264 50 40 CEGB CCOCCCNC(=O)/C(C#N)=C/c1ccccc1F 3308555 WUKLEMBVOJAFNR-JLHYYAGUSA-N 276.311 2.275 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(C(C)=O)cc1 13401419 YLWURFDYJIVPMB-FMIVXFBMSA-N 258.277 2.272 50 40 CEGB CC(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl 408728450 MOMIHTOPEFRZJL-MKMNVTDBSA-N 292.682 2.266 50 40 CEGB CC/C(=N\NC(=O)c1cccnc1)c1ccccc1O 15938726 QYWLHOOCIUBLTG-GHRIWEEISA-N 269.304 2.331 50 40 CEGB O=C(NNc1nc(Cl)c([N+](=O)[O-])s1)c1ccccc1 255188914 MNTMKSCYLYFGAD-UHFFFAOYSA-N 298.711 2.462 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1 254188 FMXQXWWRJJQGSC-OQLLNIDSSA-N 271.276 2.002 50 40 CEGB COc1ccc(OC)c(-c2noc(CCl)n2)c1 15014636 GTGHMTKCNUIPEL-UHFFFAOYSA-N 254.673 2.493 50 40 CEGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccco1 19204657 RXCRICKUIKBZAU-GFCCVEGCSA-N 290.344 2.468 50 40 CEGB C/C(=N/NC(=O)c1cccc(O)c1)c1ccc(N)cc1 1509736 CTQMPFXMAPZXNK-YVLHZVERSA-N 269.304 2.128 50 40 CEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CO)c2C)c(C)c1 4091540 XQCRMTVXRZHNGM-GIJQJNRQSA-N 299.374 2.153 50 40 CEGB CCCCCC[C@H]1C[C@@](C)(/C(C)=N/NC(N)=O)OC1=O 5142658 MCGPENDGLIEHJX-GYDYDZNFSA-N 283.372 2.323 50 40 CEGB N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 6829337 HEQCWAOYXAZQRZ-CSKARUKUSA-N 282.259 2.469 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1cccc2c1OCCO2 408826807 DEDHPYVWMGKMHM-LDADJPATSA-N 296.326 2.151 50 40 CEGB O=C(N/N=C\c1c[nH]c2ccccc12)c1ccncc1 32513701 YRXIZOPHHNNLIT-ZDLGFXPLSA-N 264.288 2.327 50 40 CEGB COc1cccc(/C=C(/C#N)C(=O)NC(C)C)c1OC 213906214 TWEIVFAKZHDBHF-WQLSENKSSA-N 274.320 2.135 50 40 CEGB Cc1cc(C(=O)NNC(=O)NCc2ccccc2)c(C)o1 40468955 PKMMCGHRSYQVBQ-UHFFFAOYSA-N 287.319 2.041 50 40 CEGB C=CCCCCCCCCC(=O)NNC(=O)/C=C\C(=O)O 101200818 LMQOWRQFUYMYGM-QXMHVHEDSA-N 296.367 2.081 50 40 CEGB N#CCCCN1C(=O)C(=C(C#N)C#N)c2ccccc21 2743145 LGYATEQEGWCERQ-UHFFFAOYSA-N 262.272 2.138 50 40 CEGB Cc1cccc2c1N(CCCBr)C(=O)C2=O 22130259 BEEORJWKSAIOEE-UHFFFAOYSA-N 282.137 2.309 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)[C@@H]1COc2ccccc2O1 4729023 WKSFUITYOGAFQK-LZNAANCOSA-N 297.314 2.027 50 40 CEGB Cc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1[N+](=O)[O-] 17398189 JEQNMSZCYLVQEQ-UHFFFAOYSA-N 295.295 2.073 50 40 CEGB COc1ccccc1/C=N/NC(=O)CNC1CCCCC1 409386891 OJTHAEVBQIJLMJ-WOJGMQOQSA-N 289.379 2.068 50 40 CEGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccccc1 96517863 XDQCXEDTUORDQT-JTQLQIEISA-N 291.166 2.025 50 40 CEGB O=C(O)C1C[C@H](Br)[C@@H](Br)C1 164011 ASIZXNHIJAQVTG-WHFBIAKZSA-N 271.936 2.008 50 40 CEGB C/C(=N\NC(N)=O)c1cc2c(ccc3ccccc32)oc1=O 5003946 KVRDAADRFOJIKA-GIJQJNRQSA-N 295.298 2.339 50 40 CEGB N#C/C(=C\Nc1nc2c(s1)CCCC2)C(N)=S 16138123 KTAPZCWQTREUHC-VOTSOKGWSA-N 264.379 2.127 50 40 CEGB N#C/C(C(=O)CCCCl)=C1/NC(=O)c2ccccc2N1 100288866 UDZHRWXAIBGOST-RAXLEYEMSA-N 289.722 2.165 50 40 CEGB CCOC(=O)C(=O)/C(C#N)=C/Nc1cc(C)cc(C)c1 100917193 XNUHUNYEVQMLKR-FMIVXFBMSA-N 272.304 2.255 50 40 CEGB C/C(=N\NC(=O)c1ccccn1)c1ccc(C#N)cc1 5755031 UEIJBWSNLPANLJ-WOJGMQOQSA-N 264.288 2.107 50 40 CEGB CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C 408895040 SWDXGYOZNMVNSM-OVCLIPMQSA-N 276.727 2.304 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccncc2)c1 32939170 VCSCJFMFFIUINQ-FHNWIRHTSA-N 283.331 2.308 50 40 CEGB O=C(OC[C@H](Br)C(F)(F)F)C(F)(F)F 1083809101 FWXHOMPMMYZYGI-REOHCLBHSA-N 288.969 2.418 50 40 CEGB O=C(CBr)c1ccc(-n2ccnc2)cc1 20357550 DDQNJOAJAWHIFL-UHFFFAOYSA-N 265.110 2.450 50 40 CEGB in-vitro CC(=O)NC(=S)NC1=C(C#N)[C@H]2CCCC[C@H]2S1 4293405 IBPWBDVIZMYGSQ-PSASIEDQSA-N 281.406 2.038 50 40 CEGB O=C(O)c1cc(CBr)ccc1[N+](=O)[O-] 59426265 YFVPUXVMPIYZDD-UHFFFAOYSA-N 260.043 2.188 50 40 CEGB Cc1cc(C)nc(NNC(=O)Nc2ccccc2F)n1 48399277 XIQFSFPOHUAJOI-UHFFFAOYSA-N 275.287 2.381 50 40 CEGB Cc1cccc(/C=N/NC(=O)c2ccccc2O)c1O 4815570 IYWGDWWHXAXERF-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB O=C(Cc1ccc(O)cc1)N/N=C1\C[C@@H]2C=CC[C@H]12 16989578 JMFITXDDKGCSNB-CMZZYNCISA-N 256.305 2.003 50 40 CEGB O=C(CCl)NC[C@H]1CCCN(Cc2ccccc2)C1 79393664 AXDRKSHBCZSESP-CQSZACIVSA-N 280.799 2.254 50 40 CEGB COC(=O)c1ccc([N+](=O)[O-])c(CBr)c1 39173063 FMYMKUZFDVJUIQ-UHFFFAOYSA-N 274.070 2.276 50 40 CEGB CCOc1ccccc1/C=N/NC(=O)[C@H](O)c1ccccc1 487260 ISVHCQUELSOZQH-YAJBTMAUSA-N 298.342 2.269 50 40 CEGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)C1CC1 5505217 BPCJCBINTJXOHQ-MHWRWJLKSA-N 274.320 2.250 50 40 CEGB Cn1nc(CO)cc1CO[Si](C)(C)C(C)(C)C 1988184993 HEWOVXHGXQSUQM-UHFFFAOYSA-N 256.422 2.434 50 40 CEGB N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 227295 QULCDQMIEKRFIF-CEFACKQISA-N 274.295 2.028 50 40 CEGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)NC1CCCC1 409191273 FXELYDODCZVKCT-CLFYSBASSA-N 275.264 2.154 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(N)=O)cc1Cl 408831081 PNKWTWQCMUKLSX-WEVVVXLNSA-N 250.685 2.131 50 40 CEGB CN(C)c1ccc(C(=O)N/N=C/c2ccco2)cc1 231825 GBHMZLQKUOYYHG-XNTDXEJSSA-N 257.293 2.110 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@@H]2C=CC[C@H]12 4155364 AXUNWCLLAFEFJM-JCUXOLLJSA-N 285.303 2.206 50 40 CEGB CC1=C/C(=N\NC(=O)c2ccc[n+](C)c2)CC(C)(C)C1 5340199 KKRAGGWEGZXWRY-SAPNQHFASA-O 272.372 2.363 50 40 CEGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(F)cc1 5417516 VTZQQVZOWKFYPS-YVLHZVERSA-N 279.315 2.447 50 40 CEGB Cc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1 411159 NQKMWOBINBNCHB-UHFFFAOYSA-N 299.399 2.304 50 40 CEGB Cc1nc(-c2cnccn2)sc1C(=O)CBr 158929 PQWKERRFBZJRSD-UHFFFAOYSA-N 298.165 2.486 50 40 CEGB CCOP(=S)(OCC)SCS(=O)(=O)CC 2036020 YVPSNUIHHFTTRL-UHFFFAOYSA-N 292.384 2.409 50 40 CEGB CCOC(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 45330269 XHLZDOFSZBPVFV-AWNIVKPZSA-N 272.688 2.134 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1 31723740 OXDPIJOVGNEYBT-YVLHZVERSA-N 269.304 2.041 50 40 CEGB NC(=O)[C@H](Br)c1ccc(Br)cc1 96511411 FSLTWMUCDWXXRO-SSDOTTSWSA-N 292.958 2.370 50 40 CEGB CCOC(=O)[C@]1(C)CC[C@H](/C(C)=N/NC(N)=O)C1(C)C 4266643 JQNMXABYOGASNX-LDCRIVGHSA-N 283.372 2.036 50 40 CEGB Cc1cc(C)nc(N2N[C@H](c3ccco3)C(C#N)=C2O)n1 14162641 DIIMEBAPFGRMFL-LBPRGKRZSA-N 283.291 2.046 50 40 CEGB C/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(O)cc1 12362489 WEIKSZJEZLFWKY-LICLKQGHSA-N 269.304 2.128 50 40 CEGB C=CCn1c(C)c(/C=N/NC(N)=O)c2ccccc21 103701246 SKCMKRDIBARZSI-CXUHLZMHSA-N 256.309 2.138 50 40 CEGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)n2c1 408979097 LGMMHYJCGUYMPH-GIJQJNRQSA-N 293.330 2.110 50 40 CEGB O=C(CCl)N(C[C@H]1COc2ccccc2O1)C1CC1 79421437 XOULMTAOAJZLQM-NSHDSACASA-N 281.739 2.056 50 40 CEGB C/C(CC(=O)C(F)(F)F)=N\NC(=O)c1ccc(F)cc1 104094429 UCJWSSQNYBGDOB-REZTVBANSA-N 290.216 2.453 50 40 CEGB COc1ccc(CCNC(=O)C(Cl)Cl)cc1OC 5527311 KNQHTHAFEOFIRG-UHFFFAOYSA-N 292.162 2.166 50 40 CEGB CCCCc1ccc(-c2ccc(B(O)O)cc2)cc1 169919070 DKCMBSJGEAEGOE-UHFFFAOYSA-N 254.138 2.376 50 40 CEGB CN(C(=O)CCl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79392468 DPETUXDAGXYUNM-JTQLQIEISA-N 290.791 2.083 50 40 CEGB CCOc1cccc(/C=C(\C#N)S(C)(=O)=O)c1OC 7714180 YLXIXZYJPGQHBS-DHZHZOJOSA-N 281.333 2.003 50 40 CEGB CCOC(=O)/C=C/c1ccc(NC(=O)CCl)cc1 8754392 QRUXABHXBZSKQI-VMPITWQZSA-N 267.712 2.440 50 40 CEGB O=C(NNC(=O)C1CCCC1)c1ccc(-c2cnco2)cc1 54774414 LOODYTGDMWTEIB-UHFFFAOYSA-N 299.330 2.293 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)NC1CCCCC1 12650231 ZUZPBHFYAVOTPL-UKTHLTGXSA-N 255.321 2.437 50 40 CEGB Cc1cccc(OCc2ccc(C(=O)NN)o2)c1C 4294082 UJSFBMOMHMWZRE-UHFFFAOYSA-N 260.293 2.079 50 40 CEGB CC1=C[C@@]2(Nc3ccc(C)c(C)c3O2)C(C#N)=C(N)O1 40546476 MSZQMHJIBHLYIR-HNNXBMFYSA-N 269.304 2.432 50 40 CEGB Cc1ccc(-n2c(C)cc(C(=O)NN)c2C)c(C)c1 223701003 MAZJQJZOSJEZNY-UHFFFAOYSA-N 257.337 2.314 50 40 CEGB O=C(NN=Cc1cccs1)c1ccn2ccnc2c1 725239925 GLLXQARMABJGLP-UHFFFAOYSA-N 270.317 2.160 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2ccccc2)cc1 585396 UXSHZHUFNRQGCQ-SFQUDFHCSA-N 268.316 2.388 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 549768 GEFMXKGETPFUHA-MFKMUULPSA-N 284.315 2.474 50 40 CEGB Cc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1 508107 DKAHETINBKRINK-UHFFFAOYSA-N 291.420 2.437 50 40 CEGB C/C(=N\NC(N)=O)c1ccc(N2CCCCC2)c(F)c1 43776343 RQKDBFRESVBRQC-LICLKQGHSA-N 278.331 2.208 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1sccc1C(=O)OCC 6847835 KNCXYXXTFDPKCX-CMDGGOBGSA-N 294.332 2.307 50 40 CEGB CCc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)s1 370309 DHCTXDPHWQQMSL-OVCLIPMQSA-N 290.344 2.486 50 40 CEGB CSC(=NNC(=O)Cc1ccccc1)SC 352553 DJOXUKMMFZAVNB-UHFFFAOYSA-N 254.380 2.342 50 40 CEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cccc(O)c1 12601215 AUKXJUIJBJJYDB-LICLKQGHSA-N 294.314 2.112 50 40 CEGB CCOC(=O)c1cc(C(=O)Cl)nn1CC(F)(F)F 408717744 RHCRHGSAFXUATL-UHFFFAOYSA-N 284.621 2.001 50 40 CEGB COC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 195922353 CTZDWHZODOCMCT-VIFPVBQESA-N 276.405 2.415 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 136331 KCOKSVAYPCJBGA-LICLKQGHSA-N 297.314 2.115 50 40 CEGB Cc1ccc(NCC(=O)NNC(=O)c2cccc(C)c2)cc1 12634213 ABLPMRSKGLFHCO-UHFFFAOYSA-N 297.358 2.177 50 40 CEGB COC(=O)[C@H](Br)c1ccc(OC)cc1 34436823 YICYREKXXVXWCS-SECBINFHSA-N 259.099 2.304 50 40 CEGB in-vitro C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc(Cl)cc1 59502735 NMCPDYFNWGQVHJ-MHWRWJLKSA-N 296.754 2.333 50 40 CEGB CC1=C[C@]2(Nc3cc(C)ccc3O2)C(C#N)=C(N)O1 40545172 LVHZIQSDPWTVOF-CQSZACIVSA-N 255.277 2.124 50 40 CEGB C[C@@H](Br)C(=O)c1ccc2c(c1)OCO2 40379213 NTPQGLLTGPTOAA-ZCFIWIBFSA-N 257.083 2.381 50 40 CEGB in-vitro CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C)cc1C 6826475 MGTIVHMXBIMJKC-ZROIWOOFSA-N 295.342 2.438 50 40 CEGB COc1ccccc1/C=C1\C(=O)ON=C1CCl 44804590 OMNWTSVIAZVNDE-TWGQIWQCSA-N 251.669 2.230 50 40 CEGB in-vitro CC1=NO[C@H]2NC(=O)C(C#N)=C(c3ccc(Cl)cc3)[C@H]12 6591493 VICAGLBTYOFRIE-SMDDNHRTSA-N 287.706 2.095 50 40 CEGB CCn1c(C)cc(/C=N\NC(=O)c2ccco2)c1C 409105272 LZDQYFKFKPETEI-DHDCSXOGSA-N 259.309 2.482 50 40 CEGB O=C(/C=C/c1ccco1)NNC(=O)c1ccc(Cl)cc1 568870 WXOXOOXOTGHWMZ-BQYQJAHWSA-N 290.706 2.407 50 40 CEGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)N1CCCCC1 3349991 FPFSOXXJDNXASM-GXDHUFHOSA-N 284.315 2.304 50 40 CEGB CC1(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC(=O)NN 5003790 PDQSVGLZIOOWSJ-UAXWRAGISA-N 282.428 2.360 50 40 CEGB Cc1ccc(C)c(N2C[C@H](C(=O)Cl)CC2=O)c1 45952263 BEUUUHVUAHSDHZ-SNVBAGLBSA-N 251.713 2.422 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccccc2O)cc1 95935799 DPUVCYHYDOCXKP-YBEGLDIGSA-N 254.289 2.465 50 40 CEGB COC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N=C=O 4242200 WUYUPSBZNUPPFJ-CYBMUJFWSA-N 277.320 2.284 50 40 CEGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccco1 5338184 GBAWZWJVCZECAA-CYBMUJFWSA-N 253.261 2.080 50 40 CEGB CCC(CC)COC(=O)CI 1591775 PFARGTJJHWTVMH-UHFFFAOYSA-N 270.110 2.401 50 40 CEGB O=C(NCCBr)N[C@H]1C[C@H]1c1ccccc1 1614853 HUJMTDIXWDYIIU-QWRGUYRKSA-N 283.169 2.237 50 40 CEGB O=S(=O)(Nc1ncccn1)c1ccc(N=C=S)cc1 1595636 HZRFQEQYOQGXDQ-UHFFFAOYSA-N 292.345 2.012 50 40 CEGB C/C(=C\C(=O)c1ccccc1)NNC(=O)c1ccncc1 105430542 HANUVTIWPBQCQJ-VAWYXSNFSA-N 281.315 2.103 50 40 CEGB O=C1CC=C(Nc2ccc(Br)cc2)C(=O)O1 104161018 IZDWRWXMFFAARV-UHFFFAOYSA-N 282.093 2.218 50 40 CEGB CSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 9089245 FJXDUXUJXARTKQ-SNVBAGLBSA-N 289.316 2.296 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCOC1 66899460 MSWWFHARSSANBZ-QMMMGPOBSA-N 274.242 2.185 50 40 CEGB CCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 64219931 PSBCTNJHBJBZJM-CMPLNLGQSA-O 278.800 2.498 50 40 CEGB CN(C(=O)CCl)C1CCN(Cc2ccccc2)CC1 79393681 DPMSTRFXQUCUTO-UHFFFAOYSA-N 280.799 2.348 50 40 CEGB Cc1ccc(NC(=O)[C@H](C)Cl)cc1N1CCOCC1 34776699 IKHIBMJJOIPFFG-NSHDSACASA-N 282.771 2.397 50 40 CEGB C[C@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CC(=O)O 72207281 CQENDPLRWOGOPD-JGWOGQQGSA-N 275.142 2.230 50 40 CEGB CN(C)/C=C/C(=C(C#N)C#N)c1ccc2c(c1)OCO2 49581149 BDIGNMZSHKPBLK-AATRIKPKSA-N 267.288 2.291 50 40 CEGB [C-]#[N+]/C(C(=O)OCC)=C(/N)C(Cl)(Cl)Cl 97976174 UUMRJMWVVFTNLY-SNAWJCMRSA-N 257.504 2.009 50 40 CEGB OCC[C@@H](I)CC(F)(F)F 91251935 UCJXHYAYILUNJU-SCSAIBSYSA-N 268.016 2.125 50 40 CEGB in-vitro Cc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 353967 CUXLJIDKDOBLNY-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 13786115 IROARFBYJUZQHV-WQLSENKSSA-N 296.282 2.125 50 40 CEGB CC1(C)Cc2ccccc2C(NNC(=O)c2cccnc2)=N1 194305 HWMPEXNQLRDKOT-UHFFFAOYSA-N 294.358 2.098 50 40 CEGB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Cl)c1 36962947 YIZZGJYXFUWZBF-QMMMGPOBSA-N 255.701 2.347 50 40 CEGB O=C1[C@H]2[C@H](Cl)C=CC[C@H]2C(=O)N1c1ccc(O)cc1 136687914 CJMHFTPYKJSMNK-IJLUTSLNSA-N 277.707 2.065 50 40 CEGB CCc1n[nH]c2c1[C@H](c1ccc(C)o1)C(C#N)=C(N)O2 13555595 VVJDFSRBUSXRMY-NSHDSACASA-N 270.292 2.092 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1OC 232277 FZWLLNPYRPSOEF-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB C=CCNCC(=O)NN=C(c1ccccc1)c1ccccc1 4013737 JKKLJBXTQRNNDJ-UHFFFAOYSA-N 293.370 2.331 50 40 CEGB CCc1ccc(C(=O)N/N=C/c2ccc(C)o2)nc1 4694178 ZGTINCYZZONAPE-CXUHLZMHSA-N 257.293 2.309 50 40 CEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)O)c2C)cc1 408985492 MLDPVBRRZNSNGB-XKYMITNMSA-N 299.374 2.233 50 40 CEGB Cc1ccn2c(C(=O)N/N=C/c3cccnc3)c(C)nc2c1 32127043 RCKKRNVTRCZNDH-VCHYOVAHSA-N 293.330 2.110 50 40 CEGB O=C1[C@H]2[C@@H](Cl)C=CC[C@H]2C(=O)N1c1ccc(O)cc1 136687865 CJMHFTPYKJSMNK-GRYCIOLGSA-N 277.707 2.065 50 40 CEGB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Cl 12505688 LIGDNBXHAHYSCZ-SSDOTTSWSA-N 270.716 2.219 50 40 CEGB Cc1cc(C)c(C(=O)c2ccc(C(=O)NN)cc2)c(C)c1 2751379 MVWAZYSNFDQUES-UHFFFAOYSA-N 282.343 2.446 50 40 CEGB C=Cn1ccnc1P(c1ccccc1)c1nccn1C=C 101376684 KRIVHWXIZNKZOD-UHFFFAOYSA-N 294.298 2.039 50 40 CEGB N#CC1=C2C=CC=CN2/C(=C/c2ccc(O)cc2)C1=O 3221596 TYNYTWNUCWENML-OQLLNIDSSA-N 262.268 2.479 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccc2c(c1)OCCCO2 19422447 LGXBZQBFCPBBFC-QMMMGPOBSA-N 255.701 2.414 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2ccncc2)cc1 4611050 ZELJJGLBBUPXPY-LDADJPATSA-N 283.331 2.173 50 40 CEGB CC(C)C[C@@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O 11974758 MDULUARQXVRLRT-NSHDSACASA-N 279.723 2.463 50 40 CEGB CCOc1cccc(/C=N\NC(=O)c2ccc(C)nc2)c1O 30803067 KPZVAYNZKJEOGP-ZDLGFXPLSA-N 299.330 2.258 50 40 CEGB CC[C@H](C)/C(C)=N/NC(=O)[C@H]1COc2ccccc2O1 5859545 CFYRRZXQPMFGEH-QDGQMDAKSA-N 276.336 2.365 50 40 CEGB CCOc1ccc(C(C)=O)cc1NC(=O)CCl 15423225 FUNFAPJHYFNJTL-UHFFFAOYSA-N 255.701 2.465 50 40 CEGB CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 143196 JFNSGQSTAXYTJB-UHFFFAOYSA-N 282.343 2.376 50 40 CEGB C=CCc1cc(C=C(C#N)C#N)cc(OC)c1OCC(=O)O 59250438 GACLRZYBLSNCHB-UHFFFAOYSA-N 298.298 2.318 50 40 CEGB N#C/C(=C\c1cccnc1)S(=O)(=O)c1ccccc1 6212576 NRQRQNPEJRBKDO-NTEUORMPSA-N 270.313 2.420 50 40 CEGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(O)cc1O 32100097 ISZPVLVAXBELMC-RIYZIHGNSA-N 266.297 2.347 50 40 CEGB C/C(=N\NC(=O)OC(C)(C)C)c1c(C)nn(C)c1C 89505596 SKGSCKAJOGIHEP-RIYZIHGNSA-N 266.345 2.286 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1O 101667118 CAVKMGVVSWMKIL-MFOYZWKCSA-N 288.278 2.304 50 40 CEGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc(Cl)cc1 118934 KTIVXNWOXTUQQI-GIDUJCDVSA-N 294.767 2.451 50 40 CEGB O=C(NCCCNC1CCCCC1)C(Cl)Cl 2866174 KHPODCJKIMFERQ-UHFFFAOYSA-N 267.200 2.219 50 40 CEGB BrCCN1CCO/C1=N/c1ccccc1 104054848 LIJKJSUOUKBHCN-ACCUITESSA-N 269.142 2.401 50 40 CEGB Cc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1 11333855 VYXAPJSQIOMCQU-UHFFFAOYSA-N 256.309 2.159 50 40 CEGB CCn1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 409097645 NASKXRLHMVFORC-LICLKQGHSA-N 270.336 2.284 50 40 CEGB CCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 5065930 DVLJYDSCGHKWSF-UHFFFAOYSA-N 298.342 2.469 50 40 CEGB CO[C@H](C(=O)N/N=C/c1ccco1)c1ccccc1 59502255 LUHBATGLZWDPJZ-LERPTODRSA-N 258.277 2.117 50 40 CEGB COC(=O)/C(C#N)=C1\CCC[C@H]1C(SC)=C(C#N)C#N 59662363 SHLMEXMGRFOMCY-KPMWUXBGSA-N 287.344 2.444 50 40 CEGB CN(Cc1cccs1)C(=O)NNC(=O)c1ccccc1 12982877 SDDSGMHHBXZVNZ-UHFFFAOYSA-N 289.360 2.235 50 40 CEGB COC(=O)c1ccc(Cl)c(NC(=O)CCl)c1 4200456 VEBMVBAFGFIVRZ-UHFFFAOYSA-N 262.092 2.304 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)NCc1cccs1 4675117 ZISJEODTFMMYRF-KPKJPENVSA-N 269.329 2.366 50 40 CEGB O=C(CCl)Nc1nc(-c2ccccc2)ns1 39440124 DSELUSKAJCJQHM-UHFFFAOYSA-N 253.714 2.382 50 40 CEGB O=C1C(=O)N(CCBr)c2ccc(Cl)cc21 19414906 HIDBFEHIGLXCKH-UHFFFAOYSA-N 288.528 2.264 50 40 CEGB CCOC(=O)/C(C#N)=C1/Nc2ccccc2[C@H](C)N1 5585620 SSMKTXUYGHWXKB-QYARFRDLSA-N 257.293 2.061 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H]([C@]13C=C[C@@H](CC1)C3)C(C#N)=C(N)O2 100674907 IJMCKQRFZFKYNM-RMLVOYDJSA-N 296.326 2.474 50 40 CEGB O=C(CNc1ccccc1)N/N=C/c1cccs1 7009054 IEAIOQHJEUYIEB-OQLLNIDSSA-N 259.334 2.310 50 40 CEGB O=C(Cc1ccccc1)NNc1nc(-c2ccccc2)no1 8381095 CRHWYCHVFCCHGA-UHFFFAOYSA-N 294.314 2.422 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccoc2C)s1 6552581 ZXAVQRXGGAEDNG-UHFFFAOYSA-N 264.306 2.033 50 40 CEGB C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 32198857 OEDMJTQRHMQBHD-SSDOTTSWSA-N 268.110 2.066 50 40 CEGB O=C1CCC(=O)N1c1ccccc1CBr 34429572 ZGTSGTMCGAEAJP-UHFFFAOYSA-N 268.110 2.235 50 40 CEGB COc1ccc2nc3sc(C(=O)NN)cc3cc2c1 223453512 IGDZMGWISVXOFC-UHFFFAOYSA-N 273.317 2.062 50 40 CEGB CCS(=O)(=O)[C@H](Cl)C(=O)c1ccc(F)cc1 96517805 IMMOMBZXVBWSQY-JTQLQIEISA-N 264.705 2.008 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 485356 BASDNRQPMDJRKB-WOJGMQOQSA-N 296.326 2.498 50 40 CEGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(N)=O)cc21 208206872 HJUSTMJTMQOTKL-VJCPFXPRSA-N 274.368 2.411 50 40 CEGB CCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NN)o1 226314871 GXWFBDXEYKKTFM-UHFFFAOYSA-N 275.264 2.021 50 40 CEGB Cn1cnc2cc(C(=O)CBr)ccc21 12370162 DYGPOTZRQYSKSN-UHFFFAOYSA-N 253.099 2.151 50 40 CEGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1F 3166709 CVAWTSAZICHVIS-VCHYOVAHSA-N 299.305 2.223 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(N)=S)cc1OC 33742001 WWUQVQCNANZROJ-UXBLZVDNSA-N 262.334 2.287 50 40 CEGB O=C(CBr)c1ccc2nc(O)oc2c1 34962700 WMALGHVGWLGXGP-UHFFFAOYSA-N 256.055 2.111 50 40 CEGB CC(/C=C/c1ccccc1)=NNC(=O)Cn1nccc1C 254528448 OLSXTRXFCFJEGU-KDULSGBTSA-N 282.347 2.397 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1ccccc1O 19849185 SAYRTRLWDKCLGL-ZROIWOOFSA-N 260.318 2.147 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C[C@H]2CC[C@@H]1C2 6506079 LMDYJALQGMNNBR-NZQCTYEBSA-N 287.319 2.430 50 40 CEGB NNC(=O)/C=C/c1ccc(OCc2ccccc2F)cc1 226332457 SVEBUBHIZWHQFU-JXMROGBWSA-N 286.306 2.408 50 40 CEGB O=C(CCl)Nc1nc2ccc([N+](=O)[O-])cc2s1 372405 FSKHTMXWCNEWMR-UHFFFAOYSA-N 271.685 2.382 50 40 CEGB O=C(NNC(=S)Nc1ccc(F)cc1)c1ccccc1 358049 GQOAAUXYSRCRTG-UHFFFAOYSA-N 289.335 2.457 50 40 CEGB OC1(C#CCN(CCCl)CCCl)CCCCC1 1703673 JSWZICUKPOBFTE-UHFFFAOYSA-N 278.223 2.465 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc(O)cc1 1740011 KUVOLMQQYHFNFW-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB C=CCN1C=CC=C/C1=C/C=C(/C#N)C(=O)OCC 8648879 HTGAGTCLSRWHRZ-QKPPEBSVSA-N 256.305 2.455 50 40 CEGB NNC(=O)c1ccccc1OCc1ccc(F)cc1 3243406 MLPXPPHDKIFDDN-UHFFFAOYSA-N 260.268 2.008 50 40 CEGB CC(=O)N/N=C(\C)CC(=O)Nc1cccc(C)c1C 4691323 VJBYUTSECPDWFZ-MHWRWJLKSA-N 261.325 2.144 50 40 CEGB CCOc1cc(C=C(C#N)C#N)ccc1OCC#N 113855562 STGVSSFBCQBEMF-UHFFFAOYSA-N 253.261 2.418 50 40 CEGB NNC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 73640277 BIFCDTIZCGEGQU-UHFFFAOYSA-N 281.655 2.112 50 40 CEGB C[C@@H]1C[C@@H](O)C=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@]21C 70455015 QLASPINFLLNESN-UVBAXCRRSA-N 266.337 2.018 50 40 CEGB biogenic,in-vitro CC1=C(C#N)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N1 14165608 YBBCSXXACGVOAT-ZDUSSCGKSA-N 283.331 2.176 50 40 CEGB CC1=C(C#N)[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C(O)=N1 4127172 USJFFVFYTFJLDE-LLVKDONJSA-N 289.257 2.217 50 40 CEGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccncc1 20158896 VOCFJOPEKFGEBI-LDADJPATSA-N 282.347 2.302 50 40 CEGB COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 491921 ANNNXLSUSJUAEQ-UUILKARUSA-N 263.080 2.389 50 40 CEGB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccccc1 103332265 PAGFVPAJSSVKJL-UBHSHLNASA-N 272.348 2.274 50 40 CEGB N#CC1=C2CCC[C@@H]2[C@]2(NC1=S)C(=O)Nc1ccccc12 4293382 PDFHNRUAYLJQHF-MEDUHNTESA-N 295.367 2.385 50 40 CEGB N#C/C(=C/c1ccccc1)C(=O)OC[C@H]1CCCO1 3258125 NYXZLHGZRBJATM-RNQWEJQRSA-N 257.289 2.316 50 40 CEGB Cc1ccccc1NC(=S)NNC(=O)c1cccnc1 8690669 ATDSVFGESLVGQS-UHFFFAOYSA-N 286.360 2.021 50 40 CEGB CN(Cc1ccccc1)C[C@@H]1CCN(C(=O)CCl)C1 79414804 NXQCGLBGDPVGLP-AWEZNQCLSA-N 280.799 2.206 50 40 CEGB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2CC(=O)NN 223828801 PPRUTQCGYBUHIS-NSHDSACASA-N 291.395 2.167 50 40 CEGB Cc1cccc(NCC(=O)N/N=C/c2cccc(C)n2)c1 124369 GHZBSFVYXFROSR-VCHYOVAHSA-N 282.347 2.261 50 40 CEGB C/C(CCc1ccc2c(c1)N[C@@H](C)CC2)=N\NC(N)=O 4235264 MLBYHMNEFGFXMJ-DWTJURIWSA-N 274.368 2.410 50 40 CEGB CC(C)OC(=O)[C@@H](Cl)[C@H](Cl)C(=O)OC(C)C 1683369 VYKYVJZVYXYSET-YUMQZZPRSA-N 271.140 2.104 50 40 CEGB Cc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1 512428 XTTPVTFQWBZPHG-UHFFFAOYSA-N 260.337 2.336 50 40 CEGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21 100085859 LHNKXGJBSVIBFW-VKAVYKQESA-N 297.314 2.169 50 40 CEGB O=C1/C(=N/O)c2ccccc2N1CCCCCl 6231332 BHQJXHUVNTWFQN-SDNWHVSQSA-N 252.701 2.231 50 40 CEGB CCOC(=O)c1cnn2ccc(NC(=O)[C@@H](C)Cl)cc12 90653208 XQGLCQHGQGHHPU-MRVPVSSYSA-N 295.726 2.077 50 40 CEGB Cc1cc(C(=O)N/N=C2\CCCc3ccccc32)[nH]n1 18276490 WHNBMFAJPCGFGC-GHRIWEEISA-N 268.320 2.189 50 40 CEGB CCC(CC)=NNC(=O)Cc1ccc([N+](=O)[O-])cc1 5307141 IDTDPKCKPISIOU-UHFFFAOYSA-N 263.297 2.430 50 40 CEGB O=C(CCl)OCc1cn(-c2ccc(Cl)cc2)nn1 1387982 FSZXCYBOZHNQNE-UHFFFAOYSA-N 286.118 2.203 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)o1 6622100 RMXFSWXMEYTYGV-OVCLIPMQSA-N 274.324 2.373 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccccc1C 96517812 IMQPSTLZQDJSJG-LLVKDONJSA-N 260.742 2.177 50 40 CEGB CCc1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl 15423182 CUTZUPDGUZDABQ-SNVBAGLBSA-N 282.771 2.321 50 40 CEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc[nH]1 498529 WSYJOLHOAPSXEJ-RQZCQDPDSA-N 271.320 2.161 50 40 CEGB Cc1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl 8733126 JNJKRTPLEAYWNL-JTQLQIEISA-N 268.744 2.067 50 40 CEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CCCC3 104281540 PQOFCACDJUIWCA-ARMQCYDYSA-N 256.301 2.235 50 40 CEGB O=C(CCl)NCCc1ccc(OC(F)(F)F)cc1 57214357 WJEXBNQRSCXUJU-UHFFFAOYSA-N 281.661 2.483 50 40 CEGB in-vitro Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)o1 3233426 VRJSVVSQXLQESD-AWNIVKPZSA-N 277.236 2.162 50 40 CEGB COc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1F 7284465 QURLBROKNOVNLG-UHFFFAOYSA-N 294.326 2.176 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2cccc(C)c2O)cn1 30802966 ACTDHEGOAYJRSP-MFOYZWKCSA-N 269.304 2.168 50 40 CEGB CCO[Si](OCC)(OCCCl)c1ccccc1 199868074 YYJNOEZFFSJVDD-UHFFFAOYSA-N 274.820 2.161 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccccc1 146467 YVFROUCFDWKCIB-VAWYXSNFSA-N 280.327 2.469 50 40 CEGB O=C(N/N=C/c1ccc[nH]1)c1cc(Cl)ccc1O 196823 JKUNDQDOUIJRPY-VIZOYTHASA-N 263.684 2.138 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2 580190 ZTXLRGBGEKMYGI-RQZCQDPDSA-N 282.299 2.488 50 40 CEGB Cc1cc(C)nc(NNC(=O)NCc2sccc2C)n1 46987843 NIVYNVBIUUMHNI-UHFFFAOYSA-N 291.380 2.290 50 40 CEGB CC(C)N(C(=O)CCl)[C@@H]1CCCC[C@H]1N(C)C 79406685 NIYYNJKVKKICPV-VXGBXAGGSA-N 260.809 2.335 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cc(OC)cc(OC)c1 102423 XQYIEYWLUZICRD-VZUCSPMQSA-N 261.277 2.174 50 40 CEGB CC(C)(C)NC(=S)NNC(=O)c1cc2ccccc2o1 14894920 WGYQDAUKHLDONU-UHFFFAOYSA-N 291.376 2.340 50 40 CEGB Cc1ccc(/C=N\NC(=O)Cc2cccn2C)s1 15986407 QRKXAWCVAJDJTP-ZROIWOOFSA-N 261.350 2.088 50 40 CEGB Cc1cccc(N[C@@H](C)C(=O)N/N=C/c2ccccn2)c1 370247 SSMYSKMZWUJGOA-FHXOWUIVSA-N 282.347 2.341 50 40 CEGB O=C(NNc1nncc2ccccc12)c1ccccc1 6927268 UUZGKACWBPGLGS-UHFFFAOYSA-N 264.288 2.387 50 40 CEGB CCOC(=O)NNC(=O)CCC(=O)c1cc(C)ccc1C 48089906 KUDZMBKVQXSXAY-UHFFFAOYSA-N 292.335 2.044 50 40 CEGB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCl 59703093 NHUFQUUQDKNIOP-MRVPVSSYSA-N 265.737 2.275 50 40 CEGB CCOc1cc(CCl)nc2nc(C(F)(F)F)nn12 12759571 UWWZKZDMXKQKPF-UHFFFAOYSA-N 280.637 2.281 50 40 CEGB CCC[C@H](Br)C(=O)Nc1cc(C)on1 9646775 PQFMOZKUOJDYOS-ZETCQYMHSA-N 261.119 2.485 50 40 CEGB CCOC(=O)c1sc(NC(=O)[C@H](C)Cl)nc1C 20203816 WIEFELXTRORUBY-YFKPBYRVSA-N 276.745 2.194 50 40 CEGB CC/C(C)=N\NC(=O)CCCCC(=O)N/N=C(/C)CC 13969307 ZNOZNJLCGJQBMZ-NFLUSIDLSA-N 282.388 2.351 50 40 CEGB BrCCN1CCO/C1=N\c1ccccc1 17354585 LIJKJSUOUKBHCN-QBFSEMIESA-N 269.142 2.401 50 40 CEGB CC(C)COc1ccc(-c2ccc(B(O)O)cc2)cc1 169994368 UYYMDDOZEZGXAY-UHFFFAOYSA-N 270.137 2.068 50 40 CEGB Br[C@H]1C[C@H]2O[C@@H]2C[C@H]1Br 100182964 UPEVUGACLNEWPQ-JGWLITMVSA-N 255.937 2.075 50 40 CEGB CCC(CC)=NNC(=O)COc1ccc([N+](=O)[O-])cc1 9869597 BJJFFCFGSAUAPL-UHFFFAOYSA-N 279.296 2.266 50 40 CEGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccco1 3279172 VZPMSZYDPKAJOD-RMKNXTFCSA-N 287.231 2.004 50 40 CEGB Cc1nn(C)cc1/C=C(\C#N)S(=O)(=O)c1ccccc1 17009794 UFGMAJPVDKUZOU-RIYZIHGNSA-N 287.344 2.067 50 40 CEGB C[C@@H]1CN1P(=O)(N1CCCCCC1)N1C[C@H]1C 301054481 TURZROKNIDMCIC-NLJLKESJSA-N 257.318 2.379 50 40 CEGB CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392458 QUZFLOYTBPZMRP-SNVBAGLBSA-N 290.791 2.083 50 40 CEGB COc1ccc(C(=O)NN)cc1COc1ccc(C)cc1 224118025 SEWLXWWXEVOEHB-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1ccccc1 13114945 BVWZRKIGXVLBJV-JYRVWZFOSA-N 275.289 2.420 50 40 CEGB Cc1ccccc1NCC(=O)N/N=C/c1cccc(O)c1 223512 VYMQNCNAGSTOHN-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2cccn2C)cc1C 523654 WDPNNNLUNAJNKQ-LICLKQGHSA-N 285.347 2.171 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2)c1 582752 MSKQSUZJOCEDFF-GZTJUZNOSA-N 281.315 2.409 50 40 CEGB C[C@H](Cl)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062438 DZDYXJZSSZRAER-LURJTMIESA-N 296.670 2.211 50 40 CEGB NNC(=O)c1cn(Cc2ccccc2F)c2ccccc12 216946253 UHNFCIYYIBBISN-UHFFFAOYSA-N 283.306 2.432 50 40 CEGB COc1ccc(S(=O)(=O)CCCC(=O)Cl)cc1 96025096 JKLDORZJXQKOIX-UHFFFAOYSA-N 276.741 2.015 50 40 CEGB Cc1cccc(C(=O)Oc2c(C)cc(C(=O)NN)cc2C)c1 256051522 JLXZBMARDVIDOD-UHFFFAOYSA-N 298.342 2.435 50 40 CEGB Cc1occc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 249427 MAHOIQMVLCALBF-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Br)CC1 113247668 BXFYYBLGCMLQRM-QMMMGPOBSA-N 292.173 2.350 50 40 CEGB Cc1cc(C(=O)NNC(=O)CC(C)(C)C)c(C)o1 24778032 WFVGCHVBAXMMKP-UHFFFAOYSA-N 252.314 2.094 50 40 CEGB C=CCOc1cccc(/C=N/NC(=O)c2cccnc2)c1O 5725855 SAKMJJYCEIONFI-WOJGMQOQSA-N 297.314 2.116 50 40 CEGB Nc1nc(CCl)[nH]/c(=N\c2ccc(Cl)cc2)n1 18167682 DTWDHFHKAFSOMF-UHFFFAOYSA-N 270.123 2.012 50 40 CEGB O=C(NNC(=O)c1ccccc1Cl)c1ccccc1O 325611 VUZIQAHFWOSLGQ-UHFFFAOYSA-N 290.706 2.120 50 40 CEGB O=C(CSCCCl)OCCSCCCl 1656164 SYUFAWFAJOCCTN-UHFFFAOYSA-N 277.238 2.474 50 40 CEGB CCOC(=O)/C(C#N)=C\NNc1nc2ccccc2s1 12464311 VVXXEDPHNXACEN-HJWRWDBZSA-N 288.332 2.183 50 40 CEGB Cn1/c(=N\NC(=O)c2ccco2)sc2ccccc21 104923831 MRQVWTNPWBDUFP-FYWRMAATSA-N 273.317 2.079 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1 59334988 NPEQHQDYUFNGDQ-UITAMQMPSA-N 250.685 2.041 50 40 CEGB CCCCOc1ccc(C(=O)NNC(=O)OCC)cc1 12942409 YGSDNSFLOJWNMK-UHFFFAOYSA-N 280.324 2.256 50 40 CEGB O=C(CN1CCCc2ccccc21)NN=C1CCC1 89861067 RFMGLIDDCCPBGC-UHFFFAOYSA-N 257.337 2.095 50 40 CEGB Cc1ccc(N2C[C@H](C(=O)Cl)CC2=O)c(C)c1 33435317 OIJAVUGGQNGTSX-SNVBAGLBSA-N 251.713 2.422 50 40 CEGB Cc1ccc(Nc2nc(CC(=O)NN)cs2)c(C)c1 223449439 LBYAUULXFKBXQY-UHFFFAOYSA-N 276.365 2.036 50 40 CEGB COC(=O)NNC(=O)Nc1cccc(-c2nccs2)c1 48697723 DNMOMYHXMODZEQ-UHFFFAOYSA-N 292.320 2.203 50 40 CEGB COC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 199145 IHOXVKBIVINPGK-OVCLIPMQSA-N 288.259 2.335 50 40 CEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccoc1 2118193 GOAVATSLOKIUGD-ZDUSSCGKSA-N 286.287 2.090 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 57787067 NPNYTSUDXVBMDC-LICLKQGHSA-N 265.272 2.028 50 40 CEGB O=C(NNC(=S)Nc1ccccc1)c1ccc(O)cc1 13556799 YQIYQBBSEBSNQH-UHFFFAOYSA-N 287.344 2.024 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)cc1 5288719 HOPAIAZNOFJPHO-YAJBTMAUSA-N 298.342 2.269 50 40 CEGB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CCl)CC1 242543297 JVQWVCLDFYLNBX-MGCOHNPYSA-N 290.791 2.177 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@@H]1C=CCC1 24305128 PYIBRIQBFFFXKM-LLVKDONJSA-N 292.766 2.386 50 40 CEGB N/C(CCl)=N\OC(=O)Nc1ccc(Cl)cc1 4280745 LGFFMGOCIIGXSJ-UHFFFAOYSA-N 262.096 2.400 50 40 CEGB C/C(=N/NC(=O)c1cccnc1)c1ccc(F)cc1 13661550 NBEIEAXFWBBXSK-YVLHZVERSA-N 257.268 2.375 50 40 CEGB O=C(NNc1ccc2ccccc2n1)c1cccnc1 1500421 JSIYFCYQWBWGQS-UHFFFAOYSA-N 264.288 2.387 50 40 CEGB CCO[C@@H]1OCC[C@@H](Br)[C@@H]1Br 4409268 RURXZTDHPIFRJF-DSYKOEDSSA-N 287.979 2.296 50 40 CEGB CC(=O)NNC(=O)CSc1c(Cl)cccc1Cl 6000211 BZVBYDVSLPANDY-UHFFFAOYSA-N 293.175 2.253 50 40 CEGB COc1cc(C(=O)Cl)cc(OC)c1OC(C)=O 1704814 GUYBWIMXUDUWPX-UHFFFAOYSA-N 258.657 2.008 50 40 CEGB IC[C@@H]1COc2ccccc2O1 14983030 TWFUOISHFCFZII-SSDOTTSWSA-N 276.073 2.261 50 40 CEGB C[C@H](Br)C(=O)NCCc1ccccc1 794162 KYGVWQHKDRIQKQ-VIFPVBQESA-N 256.143 2.129 50 40 CEGB CCOC(=O)c1cc(C(=O)Cl)n(CC(F)(F)F)n1 408717766 STMDNIUCJSYMJZ-UHFFFAOYSA-N 284.621 2.001 50 40 CEGB CN1C(N)=C(C#N)[C@H](c2ccco2)C2=C1CCCC2=O 409134231 NVOINJOWCFBBIG-CYBMUJFWSA-N 269.304 2.010 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1ccccc1C(=O)O 13361581 WMYSMKLYLSLDPD-LICLKQGHSA-N 282.299 2.457 50 40 CEGB COC(=O)N/N=C/c1cc(C)n(CC(C)C)c1C 3526513 FVUDBEUASUXESZ-VGOFMYFVSA-N 251.330 2.451 50 40 CEGB COc1ccccc1/C=C(\C#N)C(=O)NCc1cccnc1 227259 RHEQNLMNHFPYKY-OQLLNIDSSA-N 293.326 2.314 50 40 CEGB Cc1c(C=C(C#N)C#N)c(=O)n2c([nH]c3ccccc32)c1C#N 332079 WXDOBMOVQDNIGL-UHFFFAOYSA-N 299.293 2.391 50 40 CEGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1F 790505 YAEBITLSTVDXEA-UONOGXRCSA-N 298.317 2.390 50 40 CEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cccc(O)c1 32144575 WIUGEYRNLQMEIC-DHDCSXOGSA-N 285.259 2.064 50 40 CEGB Cc1cccc(NCC(=O)N/N=C/c2ccc(C)o2)c1 12406823 ATBALVLQMBSMBJ-RQZCQDPDSA-N 271.320 2.459 50 40 CEGB FC(F)(F)c1ccc(-n2nnnc2CCl)cc1 36138822 BGMCBLPBPUTNCH-UHFFFAOYSA-N 262.622 2.420 50 40 CEGB in-vitro COC(=O)c1cc(OCCCCl)c(OC)cc1N 44460304 MMBSMYNVNCVFFZ-UHFFFAOYSA-N 273.716 2.072 50 40 CEGB C[C@H](Br)C(=O)Nc1cnn(CCCCF)c1 96508989 PCDVIKAHKPQETM-QMMMGPOBSA-N 292.152 2.355 50 40 CEGB O=C(CBr)c1ccnc(Cl)c1F 169805155 RBKWXQAAPVLUOB-UHFFFAOYSA-N 252.470 2.452 50 40 CEGB O=C(N/N=C/c1cc2ccccc2[nH]1)[C@H](O)c1ccccc1 554142 OEJILXNQFAVAPJ-YCPFAOKUSA-N 293.326 2.352 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100858734 BLUAFEHZUWYNDE-BDUPTMPASA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro CCCC(CCC)=NNC(=O)C(=O)NCc1ccccc1 59434362 OPKLYELBCFUIQY-UHFFFAOYSA-N 289.379 2.375 50 40 CEGB CC1=C/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)CC1 5164187 AYQLMASLDXSRKK-HNDQUVLASA-N 272.304 2.039 50 40 CEGB S=C=NC1CCN(c2cc(Cl)ncn2)CC1 72226799 LADVRULKNJKDFH-UHFFFAOYSA-N 254.746 2.202 50 40 CEGB C/C(=N/NC(=O)c1cccnc1)[C@H]1COc2ccccc2O1 438537 OHSOTCFOFXZEMU-JQFNYASXSA-N 297.314 2.027 50 40 CEGB CCOC(=O)[C@H](Br)C(=O)c1cccc(F)c1 16158322 XSWOVUXAXVXYJM-SECBINFHSA-N 289.100 2.335 50 40 CEGB CC(=O)c1ccc2c(c1)CCCN2C(=O)CCl 32107344 LJRFWTKEUCOQRL-UHFFFAOYSA-N 251.713 2.407 50 40 CEGB O=NN(CCCl)C(=O)N[C@H]1CCCC[C@H]1Cl 4897604 AVQDABCAQFMRFT-SFYZADRCSA-N 268.144 2.468 50 40 CEGB CCOC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 12931298 XDGVTXJWAHKGNV-UHFFFAOYSA-N 276.214 2.096 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1 248843 ZAYLDEBQAGZMRQ-LICLKQGHSA-N 269.304 2.244 50 40 CEGB COc1ccc(OCC(=O)N/N=C2\C[C@H]3C=CC[C@@H]23)cc1 8182525 NGUISIISESAFAS-UCFYQWANSA-N 286.331 2.142 50 40 CEGB CCC1(CC)[C@H]2NC(Cl)=C(C#N)[C@]1(C#N)C(=N)O2 36370601 NEVVNHXQQGYZKZ-CMPLNLGQSA-N 264.716 2.214 50 40 CEGB C[C@@H](CCOC(=O)[C@H](C)Cl)OC(=O)[C@@H](C)Cl 4409655 ZFYTYLWHTNILNP-BIIVOSGPSA-N 271.140 2.106 50 40 CEGB CCn1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C)n1 4650884 VJDXDJHHSNGLJH-CDVYCHGGSA-N 296.374 2.465 50 40 CEGB COc1ccc2c(c1)N([C@@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260619405 LDDXTLLGUHINJL-MNOVXSKESA-N 291.395 2.166 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccncc2)c1 117925 VCSCJFMFFIUINQ-VBEHJTROSA-N 283.331 2.308 50 40 CEGB COc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1O 62636 PLBWFBQDQGJMBT-LICLKQGHSA-N 284.315 2.473 50 40 CEGB CCOC(=O)NN(C/C=C\Cl)C/C=C\Cl 4933683 LHKUBUXTEPQWEM-GLIMQPGKSA-N 253.129 2.455 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 57787082 WXGBBABBLHDIJX-XDHOZWIPSA-N 292.342 2.388 50 40 CEGB C[C@@H](Cl)C(=O)Nc1nnc(-c2ccccc2)o1 9062147 HAMQJBQWKXCFBB-SSDOTTSWSA-N 251.673 2.302 50 40 CEGB CCCCCC(=O)N/N=C/c1ccc2c(c1)OCO2 3157785 RFOULYPMXIKLFS-OQLLNIDSSA-N 262.309 2.446 50 40 CEGB CN1CCCc2cc(CNC=C(C#N)C#N)ccc21 58469066 CUONVDVCSDBCIN-UHFFFAOYSA-N 252.321 2.090 50 40 CEGB COc1cccc(C(=O)N/N=C(/C)c2ccco2)c1 5287720 RNDBJAWRIYWPNU-GDNBJRDFSA-N 258.277 2.442 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1 255364714 FHIJIFXQYNTNQB-MDWZMJQESA-N 258.321 2.374 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(O)cc1 3145435 KJMBHTXDSXOLNG-OAHLLOKOSA-N 280.283 2.316 50 40 CEGB CC1(C)[C@@]2(Br)CC[C@@]1(C)C(=O)OC2=O 100015405 RYWWJLPKKKYWSY-VHSXEESVSA-N 261.115 2.030 50 40 CEGB O=C(Cc1cccs1)N/N=C\c1ccc([N+](=O)[O-])cc1 31841420 MRVYOWRFOVSWHC-ZROIWOOFSA-N 289.316 2.349 50 40 CEGB Cn1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cn1 79476889 JWTNZNCHEYUQSL-CQSZACIVSA-N 291.314 2.120 50 40 CEGB O=C(N/N=C/c1ccccc1O)c1ccccc1[N+](=O)[O-] 252760 SQVYLLUBKAHDQD-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB CO[C@H](C(=O)NNC(=O)c1cccc(C)c1)c1ccccc1 5418360 GHYQBTXWMZZTBW-HNNXBMFYSA-N 298.342 2.144 50 40 CEGB C/C=C/[C@H]1OC[C@H](COC(CCl)CCl)O1 5371845 PGJVQSNRYLCRCO-AQHVTNBVSA-N 255.141 2.167 50 40 CEGB CCCCCCCCS(=O)(=O)C[C@@H](O)CCl 100243471 KDPQNSVJEOYBHU-NSHDSACASA-N 270.822 2.361 50 40 CEGB O=C(N/N=C/c1ccc[nH]1)c1c[nH]c2ccccc12 482954 OCBMMAIVIAUVRI-CAOOACKPSA-N 252.277 2.260 50 40 CEGB CCn1ncc(Br)c1C=C(C#N)C#N 2766570 YVVUEKFPBWEAGX-UHFFFAOYSA-N 251.087 2.096 50 40 CEGB CN(C)C(/C=C/Nc1cccc([N+](=O)[O-])c1)=C(C#N)C#N 100924358 OBVFPPSPLXBYJB-VOTSOKGWSA-N 283.291 2.383 50 40 CEGB O=C1[C@H]2C[C@@H]3C[C@@H]1[C@@H](I)[C@H](C3)C2 104200175 PLSIVLGZSAHBHL-ZEBDFXRSSA-N 276.117 2.425 50 40 CEGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccs1 5288801 RAEYEBYYHHRMSB-LERPTODRSA-N 274.345 2.322 50 40 CEGB CC(C)(C)OC(=O)N1CCOC[C@@H]1CBr 98179810 TWFMJHHRSVBFSE-QMMMGPOBSA-N 280.162 2.017 50 40 CEGB CSC1=C2C=C(C#N)C=[N+]2[B-](F)(F)n2cc(C#N)cc21 604221835 YQOHAJAXDVOWIS-UHFFFAOYSA-N 288.091 2.175 50 40 CEGB N#CC1=C(N)Oc2ccc(Cl)cc2[C@H]1C(C#N)C#N 58150 LUHSXKVJMVDOMF-GFCCVEGCSA-N 270.679 2.173 50 40 CEGB Cc1ccsc1C(=O)NNC(=O)C1CCCC1 47450887 IEGJTOFKJLVZLO-UHFFFAOYSA-N 252.339 2.008 50 40 CEGB CC[C@H](C)C(=O)N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21 44004951 MTCVKLUIZSVNRA-ZETCQYMHSA-N 290.279 2.063 50 40 CEGB Cc1occc1C(=O)NNC(=O)/C=C/c1ccccc1 4525804 QBDDUBNYLUBLJX-BQYQJAHWSA-N 270.288 2.062 50 40 CEGB Cc1ccc(NCC(=O)N/N=C/c2ccc(C)o2)cc1 4739452 RPIIPIZFMTUOOF-RQZCQDPDSA-N 271.320 2.459 50 40 CEGB COc1ccccc1/C=N\NC(=O)COc1ccccc1 33319209 VZSHNMCPZYNKME-BOPFTXTBSA-N 284.315 2.224 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 45952752 NCVGMEXPIXGTLB-LURJTMIESA-N 259.639 2.083 50 40 CEGB CN(C)CCO/C(CN(C)C)=C(/C#N)c1ccccc1 1717935 APCIACPYEGUHPP-NXVVXOECSA-N 273.380 2.061 50 40 CEGB O=C(NNC(=O)c1cccc(F)c1)c1cccc(F)c1 1569427 DJCSGSALPRONGK-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB N#C/C=C(/N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 100305347 DWGJKFYZDBAFIJ-DXNYSGJVSA-N 297.189 2.439 50 40 CEGB aggregator C/C(=N/NC(=O)c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 16185131 SXOHZAJMTIVTNH-YBEGLDIGSA-N 299.286 2.454 50 40 CEGB CCc1cccc(NC(=O)NNC(=O)c2ccncc2)c1 1764040 GTLMHPKJUDWARU-UHFFFAOYSA-N 284.319 2.111 50 40 CEGB Cc1c(C(=O)N/N=C\c2cccnc2)sc(=S)n1C 28628643 AKRUXZJUNOJHER-AUWJEWJLSA-N 292.389 2.283 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCC#N 408782428 IGPSGLXJJOUWEH-LCYFTJDESA-N 269.304 2.021 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 408737386 NVLVNDSYMHZWRZ-LICLKQGHSA-N 294.270 2.230 50 40 CEGB COc1cccc(C(=O)N/N=C\c2ccc3c(c2)OCO3)c1 34897750 PVXHETBZSJBJEH-MFOYZWKCSA-N 298.298 2.188 50 40 CEGB COc1ccc(CS/C(S)=C(\C#N)C(N)=O)cc1 100013645 JPPNIOLOOUNPHG-ZRDIBKRKSA-N 280.374 2.079 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2ccncc2)cc1C 528187 ZPHUZHWADVJDJG-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB O=C(NCCBr)Nc1ccccc1F 6926966 QHYBZXIQNGILQM-UHFFFAOYSA-N 261.094 2.342 50 40 CEGB C[C@H](Br)C(=O)N1CCO[C@@H](c2ccccc2)C1 95097962 BSQCEKBRCBYAKX-CMPLNLGQSA-N 298.180 2.370 50 40 CEGB CN(/N=C\c1ccccc1O)C(=O)c1ccccc1N 5392882 MIFIRIBHPDAQLR-YVLHZVERSA-N 269.304 2.081 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2cccnc2)cc1C 239333 GYJJISDYXXIQAK-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB NC(=O)N/N=C/C(c1ccccc1)c1ccccc1 4683097 OLLQWGLTKGDVKQ-GZTJUZNOSA-N 253.305 2.473 50 40 CEGB CC(C)(C)S(=O)(=O)/C(C#N)=C\c1ccc(O)cc1 5901507 OHOYYUBWGANOQD-WQLSENKSSA-N 265.334 2.470 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccc2c(c1)OCO2 31905728 BUJADRAIFAJMLJ-YVLHZVERSA-N 282.299 2.108 50 40 CEGB O=C(CCl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 79420809 VRWUSESIGJPVNI-UHFFFAOYSA-N 268.700 2.325 50 40 CEGB Cc1cc(C)c2c(=O)c(/C=N\C(C#N)=C(\N)C#N)coc2c1 96247832 PVXMWMAARJXAHS-QHRHKYHLSA-N 292.298 2.046 50 40 CEGB CCOC(=O)N/N=C\C=C/c1ccc(N(C)C)cc1 16924269 VXCHHNHDJABSCT-GKNGPQKESA-N 261.325 2.498 50 40 CEGB CN1C(=O)N(CCCl)C(=O)[C@@](C)(C2=CCCCC2)C1=O 2028752 UCNNPDYOZLTWPY-AWEZNQCLSA-N 298.770 2.153 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccccc2N)cc1[N+](=O)[O-] 408727761 GJOLMKFOKSSWOR-RQZCQDPDSA-N 298.302 2.249 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1cccc(C)c1 96517816 YCOUCSSWQMXWRT-LLVKDONJSA-N 260.742 2.177 50 40 CEGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1cc(Cl)ccc1O 10625391 IUZARRXDTTYEFV-SECBINFHSA-N 294.738 2.163 50 40 CEGB N#C/C(=C/c1ccc[nH]1)c1nnc2n1CCCCC2 8376599 CSNRSGWHISVKCT-LUAWRHEFSA-N 253.309 2.397 50 40 CEGB O=C(CSCc1ccccc1)N/N=C/c1ccccn1 59472772 RGLDSHNJKFEKRB-LICLKQGHSA-N 285.372 2.465 50 40 CEGB C[C@@H](Br)C(=O)Nc1ccc2c(c1)OCO2 4736559 ZLIIJJYUCRQVHT-ZCFIWIBFSA-N 272.098 2.137 50 40 CEGB O=C(CN1Cc2ccccc2C1)N/N=C\c1cccs1 409204470 GWKXZCXRHCBBCY-PXNMLYILSA-N 285.372 2.214 50 40 CEGB C=CCOc1ccc(/C=C(\C#N)C(N)=S)cc1OC 33713959 GDZPCQIKBYZPAH-YRNVUSSQSA-N 274.345 2.453 50 40 CEGB CCOC(=O)COc1cc(C=C(C#N)C#N)ccc1OC 6954956 ASNUDELHSWOZNI-UHFFFAOYSA-N 286.287 2.068 50 40 CEGB CC[C@H](C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1 8680022 KIRIPVISNOVCKB-OKUSHXHXSA-N 284.363 2.058 50 40 CEGB aggregator COc1ccc([C@H](O)CBr)cc1OC 12506226 VAXOJZZUVFJONX-MRVPVSSYSA-N 261.115 2.132 50 40 CEGB C/C(=N\NC(=O)c1ccccn1)c1ccccc1F 5019926 URILGCUVEIZZQH-LICLKQGHSA-N 257.268 2.375 50 40 CEGB COc1ccc(CN(C)C(=O)[C@@H](C)Cl)cc1F 35186645 RMWBWIPSIQPMOW-MRVPVSSYSA-N 259.708 2.420 50 40 CEGB in-vitro BrC[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 217844102 KDMRTNGGEQGKOC-QMMMGPOBSA-N 284.109 2.303 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(C)o2)c(OC)c1 34703378 XIFBTKBKYICLRF-SXGWCWSVSA-N 288.303 2.369 50 40 CEGB COC(=O)c1cc(CBr)ccc1[N+](=O)[O-] 39642346 AJAFGSCUXQKJRK-UHFFFAOYSA-N 274.070 2.276 50 40 CEGB COc1c(Cl)cc(/C=N/NC(C)=O)cc1Cl 561164 VCJMFJGOYQRCNO-WLRTZDKTSA-N 261.108 2.472 50 40 CEGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccnc1 3166531 WWMLIMJPVVJRQV-QGMBQPNBSA-N 291.257 2.447 50 40 CEGB NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3193612 MXOHUIXZXAEVAQ-UHFFFAOYSA-N 296.305 2.282 50 40 CEGB COC(=O)C/C(C)=N\NC(=O)c1ccc(Cl)cc1 4199290 JXJJXWVALZFXAS-ZSOIEALJSA-N 268.700 2.009 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1nc2c(s1)CCCC2 7067388 PUPNOOVKPKZQQQ-CMDGGOBGSA-N 277.349 2.404 50 40 CEGB N#Cc1ccc(N2CC[C@@H](Br)C2=O)cc1 33995036 WPIZASJVDDJWKA-SNVBAGLBSA-N 265.110 2.058 50 40 CEGB C/C(=N/NC(=O)c1ccncc1)c1cc([N+](=O)[O-])cs1 368537 SAKMHCMLODJKKO-ZSOIEALJSA-N 290.304 2.205 50 40 CEGB COC(=O)[C@@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 100746496 PYWSEEVRSGAIKG-NZXMKCKXSA-N 289.169 2.318 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2)o1 2768705 MAHAXHAIABZBAG-XNTDXEJSSA-N 257.293 2.110 50 40 CEGB CCN1C(=O)COc2ccc(C(=O)CBr)cc21 68675311 RTTZPFOYVCBYGD-UHFFFAOYSA-N 298.136 2.010 50 40 CEGB CN(C(=O)CCl)[C@H]1CCCN(Cc2ccccc2)C1 79393680 XMKVNAYZQXIQAL-AWEZNQCLSA-N 280.799 2.348 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(OC(C)C)cc1 223711566 DRKKHFMWDQXWDD-UHFFFAOYSA-N 287.363 2.485 50 40 CEGB O=C(NNC1=NC[C@H]2CCCC[C@H]12)c1ccccc1 255189886 SUVKYOOENFHQAN-OLZOCXBDSA-N 257.337 2.140 50 40 CEGB COCC(=O)NN(Cc1ccccc1)c1ccccc1 32256960 NOHPSNMILBUISW-UHFFFAOYSA-N 270.332 2.371 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccc(O)cc2)nc2ccccn12 12564197 IIPXIFSPPQUMRK-LICLKQGHSA-N 294.314 2.112 50 40 CEGB Cc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2F)o1 10277763 SCGDRLLFTBJLEO-CMDGGOBGSA-N 288.278 2.202 50 40 CEGB COC(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 4137256 PYWSEEVRSGAIKG-HFKOZYHYSA-N 289.169 2.318 50 40 CEGB C[C@H](Cl)C(=O)NCCc1c[nH]c2ccccc12 13609347 FUGAXVJSGRGEBU-VIFPVBQESA-N 250.729 2.454 50 40 CEGB CC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 409014473 PLXMQUYVEAKZED-UUILKARUSA-N 291.532 2.278 50 40 CEGB Cn1cccc1/C=N/NC(=O)c1cccc(Cl)c1 36289736 LWZIBYAIECHUFZ-OQLLNIDSSA-N 261.712 2.442 50 40 CEGB Cn1c(=O)ccc2ccc(CBr)cc21 39121464 ITJIJNVUGROKNM-UHFFFAOYSA-N 252.111 2.433 50 40 CEGB N#Cc1ccccc1NC(=O)N(CCCl)N=O 5004865 ZDWOLINNVKDFES-UHFFFAOYSA-N 252.661 2.312 50 40 CEGB CCOC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 2631765 YBQNZFZTWPWOKO-HQYXKAPLSA-N 282.168 2.462 50 40 CEGB ClCCN1CCC[C@@H](NCc2ccccc2)C1 255188983 MXXLYVIWWDVEAZ-CQSZACIVSA-N 252.789 2.479 50 40 CEGB C[C@@]1(C(=O)NNC(=O)c2ccccc2)C[C@@H]2C=C[C@H]1C2 4973990 BTLDZGHWLJKVQS-PVXIVEMSSA-N 270.332 2.050 50 40 CEGB O=C(CCCl)Nc1ccccc1C(=O)NC1CC1 12505123 TXSSUOVDJSDRFN-UHFFFAOYSA-N 266.728 2.146 50 40 CEGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc(F)cc1 58915841 YMVZNFXPNUNSKG-SFQUDFHCSA-N 277.343 2.152 50 40 CEGB O=C(CSc1ccccc1)N/N=C/c1cccnc1 59152462 HRRFVNRWGRHBOF-MHWRWJLKSA-N 271.345 2.324 50 40 CEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC=CCC2)c(C)c1 12737338 CNAUNWBWSSUWPF-ZDUSSCGKSA-N 272.348 2.421 50 40 CEGB C/C(=N\NC(=O)Cc1ccc(F)cc1)c1ccccn1 5173028 BZAYJIWLVGZTNO-WOJGMQOQSA-N 271.295 2.304 50 40 CEGB O=C(NNC(=S)NCc1ccccc1)c1cccs1 7636445 KTDDISKKWZFBAD-UHFFFAOYSA-N 291.401 2.057 50 40 CEGB O=C(COCc1ccccc1)NNc1ccccc1 78304658 UOHMHZVWLWKTTP-UHFFFAOYSA-N 256.305 2.347 50 40 CEGB N#CCC(=O)N/N=C/c1cc2ccccc2nc1Cl 210158335 SVPYXQWWOOQSMY-LZYBPNLTSA-N 272.695 2.252 50 40 CEGB CCCCc1sc(C(=O)NN)cc1Br 85393217 DWPCIBSXOJNOHT-UHFFFAOYSA-N 277.187 2.457 50 40 CEGB COc1cccc2c1N([C@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260622321 SVOBVNQYHPHFOT-GHMZBOCLSA-N 291.395 2.166 50 40 CEGB CCOc1ccc(CC(=O)N/N=C/c2ccco2)cc1 10475769 XFQIREVMIVUSED-LFIBNONCSA-N 272.304 2.371 50 40 CEGB O=C(N/N=C\C=C\c1ccc2c(c1)OCO2)c1cccnc1 13563914 USPPFAQURPDJOS-JKTWMYEVSA-N 295.298 2.239 50 40 CEGB CCc1n[nH]c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 5045041 HGTYOXSGQTVRCA-GFCCVEGCSA-N 284.294 2.329 50 40 CEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(N)cc1 4498007 ZYAZYSCTNQFUSK-VCHYOVAHSA-N 297.314 2.152 50 40 CEGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc([N+](=O)[O-])cc1 5672618 DZAOIJYWNASQHZ-KLRHKGEASA-N 271.276 2.277 50 40 CEGB Cc1[nH]c2ccc(C(=O)NNC(=O)C(C)C)cc2c1C 6756722 YBXRBJPRJJXHRL-UHFFFAOYSA-N 273.336 2.202 50 40 CEGB N#CC1=C(N)Oc2c(nc(=S)[nH]c2O)[C@@H]1c1ccccc1 18155573 WWUSNJYSTATVFR-SECBINFHSA-N 298.327 2.063 50 40 CEGB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Cl 20203521 LHUBOQNSCDPIPX-QMMMGPOBSA-N 255.701 2.429 50 40 CEGB C[Si](C)O[Si](C)(O[Si](C)C)O[Si](C)C 195940873 BGISVIDNIBCUTN-UHFFFAOYSA-N 265.586 2.358 50 40 CEGB COc1ccc(N/C=C/C(=C(C#N)C#N)N(C)C)cc1 100913215 BCZLHQHAGBBGJY-CMDGGOBGSA-N 268.320 2.484 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cc1 4156250 VBFALWUUEFFNMJ-LCTCEGSSSA-N 256.305 2.377 50 40 CEGB CN(C)C(C/C=N/Nc1cccc(Cl)n1)=C(C#N)C#N 5524764 QXIIKOKRLBOYPN-REZTVBANSA-N 288.742 2.386 50 40 CEGB C[C@@]1(C(=O)NN)CC1(c1ccccc1)c1ccccc1 72333608 YSQJBMQVGZLHTJ-INIZCTEOSA-N 266.344 2.373 50 40 CEGB COc1cccc(C(=O)N/N=C/c2cc(C)n(C)c2C)c1 408791016 VCVIXOWLZHNXGA-LICLKQGHSA-N 285.347 2.414 50 40 CEGB N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(N)=O 160646 ZWHNWDFKHGXXOD-BHQIHCQQSA-N 257.076 2.091 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccs2)cc1 262911 OVRQIZNTQDIXOQ-OQLLNIDSSA-N 287.344 2.470 50 40 CEGB O=[N+]([O-])c1ccc(N/N=C/CCl)c([N+](=O)[O-])c1 6092161 KCCZBPFTPLCZGI-ONNFQVAWSA-N 258.621 2.140 50 40 CEGB Cc1ccc(NCC(=O)N/N=C/c2cccc(O)c2)cc1 175889 USFGFRXBDMXESZ-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB Cc1cc(C)cc(C(=O)NNC(=O)c2ccoc2C)c1 496842 XKCZFPKIDNNLFQ-UHFFFAOYSA-N 272.304 2.280 50 40 CEGB CC(=O)Nc1cc2cc(NC=C(C#N)C#N)ccc2oc1=O 1587243 FZXPRLQGSDRZON-UHFFFAOYSA-N 294.270 2.094 50 40 CEGB O=C(CCl)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 59386999 SUCPZCARJLCGAW-UHFFFAOYSA-N 298.711 2.291 50 40 CEGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccco1 12582166 YOFYPRVQOFHKPK-UHFFFAOYSA-N 298.220 2.373 50 40 CEGB Cc1cc(C(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)[nH]n1 18240607 SOGXPQMPSAXNLJ-ZXPNPXPCSA-N 299.290 2.055 50 40 CEGB COc1c(Cl)cc(/C=N/NC(N)=O)cc1Cl 41108628 NXTJEZRHNMEKOZ-YIXHJXPBSA-N 262.096 2.004 50 40 CEGB O=C(/C=C/c1ccccc1)NCCBr 3066389 QHVRFCURJCEDKJ-VOTSOKGWSA-N 254.127 2.211 50 40 CEGB CCCOc1ccc(/C=C(\C#N)C(N)=O)cc1OCC 13988882 LSSODJDMZMWICJ-XYOKQWHBSA-N 274.320 2.266 50 40 CEGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)N(C)C 59334613 PYVJPEUSXVGUTB-POHAHGRESA-N 264.712 2.344 50 40 CEGB O=[N+]([O-])c1ccc(OCc2nnc(CCl)o2)cc1 20135846 GBQNQGJZTBQZEY-UHFFFAOYSA-N 269.644 2.296 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1 4508822 BINZOAOSCFZENS-LICLKQGHSA-N 298.298 2.157 50 40 CEGB NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4674768 QJJSUIZIFSSNAQ-UHFFFAOYSA-N 283.331 2.121 50 40 CEGB C/C(=N/NC(=O)c1ccc(C)nc1)c1ccc([N+](=O)[O-])cc1 4677281 OTISURNFPBHKIC-BOPFTXTBSA-N 298.302 2.452 50 40 CEGB CCCCOC(=O)CSSCC(=O)OCC 4784908 PLVOGJKPBOWIPH-UHFFFAOYSA-N 266.384 2.274 50 40 CEGB O=C(N/N=C/c1ccc(O)cc1O)Nc1ccccc1 357832 LFPCKOWESVQEBP-OQLLNIDSSA-N 271.276 2.253 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1F 7957641 RKCQKALUAOWEIZ-UHFFFAOYSA-N 290.269 2.348 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)cc1 408803251 MYLPXLRAHZTKNR-ZECSTPGPSA-N 286.331 2.434 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Cl)c1O 3570636 CBFUBOALPHKYAS-ONNFQVAWSA-N 294.738 2.486 50 40 CEGB CC(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 296377 DCANDYFXDFMWQN-UHFFFAOYSA-N 262.353 2.401 50 40 CEGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)C1CC1 581053 RCEXGOIFWBFCMN-UHFFFAOYSA-N 294.354 2.376 50 40 CEGB CCC(=O)NNC(=O)COc1cc(C)ccc1C(C)C 3176481 ZAJGQVSENNYLNM-UHFFFAOYSA-N 278.352 2.055 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C[C@@H]2CC[C@@H]1C2 102123318 LMDYJALQGMNNBR-AZNAFKMUSA-N 287.319 2.430 50 40 CEGB CCCC(=O)NNC(=S)Nc1cccc(C)c1 6389134 YMOYOTBCWILIGJ-UHFFFAOYSA-N 251.355 2.113 50 40 CEGB O=C(CCCCl)Nc1ccc(CN2CCOCC2)cc1 22238427 AUIWRLKGFYYOCB-UHFFFAOYSA-N 296.798 2.476 50 40 CEGB CCCCNC(=O)N/N=c1/sc2ccccc2n1C 20030806 ICQHGCGSPCOXIF-DTQAZKPQSA-N 278.381 2.155 50 40 CEGB N#C[C@@H](C(=O)N/N=C/c1ccccc1)c1ccccc1 409205821 KHOVKFGVUFKDJO-GYZOOYGHSA-N 263.300 2.444 50 40 CEGB N#C[C@H](C(=O)N/N=C/c1ccccc1)c1ccccc1 409205818 KHOVKFGVUFKDJO-BRFSQIRFSA-N 263.300 2.444 50 40 CEGB C=CCOc1ccc(/C=C(\C#N)C(N)=O)cc1Cl 255093862 GGUGZTURUYRUOZ-UXBLZVDNSA-N 262.696 2.297 50 40 CEGB CCOc1c(Cl)cc(/C=C(\C#N)C(N)=O)cc1OC 3242685 UJNYYDCPYUCSOQ-RUDMXATFSA-N 280.711 2.140 50 40 CEGB O=C(CO)N/N=C/c1c2ccccc2cc2ccccc12 366191 TZPDBHQDXJEXBN-VCHYOVAHSA-N 278.311 2.435 50 40 CEGB N#CC1=C(N)Oc2ccc(O)cc2[C@@H]1c1cccnc1 43704 LGVWEJJLSOXGAM-AWEZNQCLSA-N 265.272 2.005 50 40 CEGB C=C(C)C(=O)OC[C@H](Br)CBr 2032785 SOFCUHQPMOGPQX-ZCFIWIBFSA-N 285.963 2.264 50 40 CEGB O=C1CC(c2ccccc2Br)CC(=O)O1 106583132 RWJBJEJDXXDUKI-UHFFFAOYSA-N 269.094 2.396 50 40 CEGB COC(=O)N/N=C/c1cc(Br)cc(C)c1O 6281049 BREOWVKXURBTMT-LFYBBSHMSA-N 287.113 2.153 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccc(C)o1 4545174 YFDIQYFLNMRILZ-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB COc1ccc(/C=C/C(=O)N/N=C/c2ccco2)cc1 409061138 WASADRYIONHWKT-KCJIIOMUSA-N 270.288 2.452 50 40 CEGB CC(=O)OC[C@H](Br)C(F)(F)Br 64370228 SJIVPOQDSUQJKU-BYPYZUCNSA-N 295.905 2.301 50 40 CEGB O=C(N/N=C/c1ccccc1OC(F)F)c1cccnc1 3335364 PRZHDOVAYUZVBY-GIJQJNRQSA-N 291.257 2.447 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(N)cc1 4587703 XYAZKIYWAYNCTK-LDADJPATSA-N 283.331 2.188 50 40 CEGB COC(=O)c1[nH]c2ccccc2c1C=C(C#N)C#N 1402168 DLBMZBLVZQKXLP-UHFFFAOYSA-N 251.245 2.385 50 40 CEGB Cc1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 6187680 ORYCZEJIRKLYHV-NSHDSACASA-N 270.267 2.075 50 40 CEGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)cc2)cc1 409360091 KOZOBASOGFEPJG-BOPFTXTBSA-N 268.316 2.393 50 40 CEGB N=C1O[C@H](CCl)CN1C(=O)Nc1ccccc1 4408701 BPAVXIOZNFVXCT-SECBINFHSA-N 253.689 2.093 50 40 CEGB CCOc1ccccc1C(=O)NNC(=O)c1ccccc1 5874789 LGYPINSESKIUES-UHFFFAOYSA-N 284.315 2.160 50 40 CEGB N#C/C(=C\c1ccccc1O)C(=O)Nc1ccccn1 37858814 LJBWMCGKDSPTSO-FMIVXFBMSA-N 265.272 2.333 50 40 CEGB CS(=O)(=O)c1ncc(CCl)n1Cc1ccccc1 47219285 KNMYCJMNGSGNNZ-UHFFFAOYSA-N 284.768 2.074 50 40 CEGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1 588284 ILYZADJWWQCHRF-LICLKQGHSA-N 284.319 2.127 50 40 CEGB O=C(N/N=C/c1ccncc1)c1cccc2cc[nH]c12 3169238 LIPGYFFZROPQTE-VCHYOVAHSA-N 264.288 2.327 50 40 CEGB CC(C)C(=O)NNC(=O)Nc1ccc(Cl)cc1 9366024 GTTZGYAHCXQNPE-UHFFFAOYSA-N 255.705 2.149 50 40 CEGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(N)=O 211993216 CEKBRQNEFPNYFM-CLFYSBASSA-N 282.255 2.037 50 40 CEGB O=S(=O)(OCCCl)c1ccc(Br)cc1 228956827 FJZYYZUXABAYRF-UHFFFAOYSA-N 299.573 2.393 50 40 CEGB C/C(=N/NC(=O)Cc1ccccc1)c1ccc(O)cc1O 95483005 ICGSLQIPPCJZJQ-BOPFTXTBSA-N 284.315 2.181 50 40 CEGB CC(C)n1nccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253396448 DUUSDNCNQMJEFN-CQSZACIVSA-N 298.346 2.279 50 40 CEGB CO[C@@]12CCCC3(OCCO3)[C@H]1[C@H](Cl)[C@@H]2Cl 5049661 QXASNTBOHVRXSO-XKNYDFJKSA-N 267.152 2.143 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccccn2)cc(C)c1O 6233174 QGCUANXDFKPQRG-RQZCQDPDSA-N 269.304 2.168 50 40 CEGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1F 790509 YAEBITLSTVDXEA-KBPBESRZSA-N 298.317 2.390 50 40 CEGB CCOc1cccc(/C=N/NC(=O)c2cccnc2)c1 6950129 WQNUDZDCPSRCSI-LICLKQGHSA-N 269.304 2.244 50 40 CEGB CCc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 33435311 XZXZVICFEASMGZ-SNVBAGLBSA-N 251.713 2.367 50 40 CEGB COc1cc(C)c([C@H](C)NC(=O)CCl)cc1OC 62146671 YNFAXAPFGSXDKR-VIFPVBQESA-N 271.744 2.428 50 40 CEGB in-vitro CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(C)cc1 96518947 LGTGUJPDWDJISU-WDEREUQCSA-N 262.758 2.028 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1 573774 WDFWURVIJKNJCU-SDNWHVSQSA-N 269.348 2.330 50 40 CEGB O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCC1 59515682 FEPFRAXGVKFWHL-UHFFFAOYSA-N 293.754 2.002 50 40 CEGB COC(=O)NNC(=O)/C=C/c1cccc2ccccc12 4599605 AIKFUCWEKXCQQM-MDZDMXLPSA-N 270.288 2.240 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1OC 5527280 CKIBDWQTLIMSTQ-MGTNQUGKSA-N 286.331 2.386 50 40 CEGB O=C(N/N=C/C=C/c1ccco1)c1ccc(O)cc1O 17007023 AIWSLMFXQHJWEO-AIBSJQBZSA-N 272.260 2.120 50 40 CEGB O=C(CNc1ccc2ccccc2c1)N/N=C1/CCCN1 3185227 APJLVPXFLCTIJX-UHFFFAOYSA-N 282.347 2.065 50 40 CEGB Cc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)o1 13736775 RPAUSHODIBDNCH-XFFZJAGNSA-N 256.261 2.404 50 40 CEGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccncc1)OCO3 78546981 JYKWSYWIIGVVQC-OAHLLOKOSA-N 293.282 2.028 50 40 CEGB COc1ccc(NCC(=O)N/N=C2/C[C@H]3CC=C[C@@H]23)cc1 35738490 ZXXGDLGDOICETD-LEIFQPEXSA-N 285.347 2.175 50 40 CEGB CC1=C[C@H]2c3ccccc3[C@@]1(C)[C@@H]1C(=O)OC(=O)[C@@H]21 408734047 GDRAIUUDPWLKNV-SDPXSBNPSA-N 254.285 2.317 50 40 CEGB Cc1ccc(NCC(=O)N/N=C/c2ccco2)cc1 7009504 LNGOKDJEUULALT-CXUHLZMHSA-N 257.293 2.150 50 40 CEGB O=C(/C=C/c1ccsc1)NNC(=O)c1ccccc1F 9336315 XWUNZJSHZCDBNH-AATRIKPKSA-N 290.319 2.362 50 40 CEGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N(C)C)o1 408813302 QOUBAENOWVDYDM-LUAWRHEFSA-N 261.325 2.121 50 40 CEGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OC(F)F 97990453 OLUOOMJPJLKWGB-UITAMQMPSA-N 282.246 2.079 50 40 CEGB COCc1n[nH]c2c1[C@@H](c1ccccc1C)C(C#N)=C(N)O2 803812 OZOSDECPZASJNC-ZDUSSCGKSA-N 296.330 2.083 50 40 CEGB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)CCl 79392449 WTYTWVCBFXCNKC-JTQLQIEISA-N 290.791 2.131 50 40 CEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccco1 5164098 STRICHMHWSJWTB-OQLLNIDSSA-N 272.260 2.162 50 40 CEGB Cc1c(C(=O)Cl)cnn1-c1ccc([N+](=O)[O-])cc1 64219849 QRHWACFBAWNVFF-UHFFFAOYSA-N 265.656 2.468 50 40 CEGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CC#N 409098471 PZGQFVLEZVYJCU-OVCLIPMQSA-N 265.700 2.102 50 40 CEGB NNC(=O)c1ccc(OCc2nc3ccccc3o2)cc1 78401050 PTIUIWPIYVIOMH-UHFFFAOYSA-N 283.287 2.010 50 40 CEGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)cc1O 100217816 AWHOKDBSDWPXQZ-SACIKYEUSA-N 288.347 2.374 50 40 CEGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)N(C)C 59333854 JXVDAGGQDYJVMX-FLIBITNWSA-N 253.305 2.472 50 40 CEGB CN(C)CCOP(=O)(c1ccccc1)c1ccccc1 2237460 SUYLLXDNUMMQOK-UHFFFAOYSA-N 289.315 2.494 50 40 CEGB CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1OC 2535252 KUKKHMJNESLRLK-DHZHZOJOSA-N 291.303 2.182 50 40 CEGB CCCc1[nH]nc2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 5130452 WZKWSGPYDZRWBP-CYBMUJFWSA-N 296.330 2.286 50 40 CEGB N#CCC(=O)N/N=C/c1cccc(Cl)c1Cl 4414588 XEQKQBQTBULLTO-MKMNVTDBSA-N 256.092 2.357 50 40 CEGB N#CC(NCc1ccco1)=C1C(=O)c2ccccc2C1=O 101155249 CMYKZQHXMDTAFR-UHFFFAOYSA-N 278.267 2.226 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1O 5332827 UQXHENSFRPMLBM-VCHYOVAHSA-N 299.330 2.137 50 40 CEGB O=C(CSCc1ccccc1)N/N=C/c1ccc[nH]1 18192270 VMHKXYDIMSNGLQ-CXUHLZMHSA-N 273.361 2.398 50 40 CEGB Cc1ccccc1/C=N/NC(=O)c1ccc(N)cc1 45714 WCOZEVYWPIVNLH-LICLKQGHSA-N 253.305 2.341 50 40 CEGB CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1CBr 34614100 PBCOFGASVWDIPR-SSDOTTSWSA-N 278.146 2.307 50 40 CEGB COCCOC(=O)/C(C#N)=C/c1sccc1C 16363133 AXLPOZWAWIJYAR-JXMROGBWSA-N 251.307 2.153 50 40 CEGB COc1cccc(NC(=O)NCCCl)c1OC 1627427 NIJCLNDMYVQPQX-UHFFFAOYSA-N 258.705 2.064 50 40 CEGB O=C(N/N=C/[C@H]1CCOC1)c1cc(-c2ccccc2)on1 54294638 QADCMROOIBGJIE-LKBVRNOZSA-N 285.303 2.094 50 40 CEGB CCc1ccc(C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1 12744813 GBBVHCMFTXKNBL-CYBMUJFWSA-N 272.348 2.366 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)o1 28297224 UWTFGNSEIKUVTH-CXUHLZMHSA-N 253.261 2.224 50 40 CEGB CCCC(=O)NNC(=S)NCc1ccc(Cl)cc1 6397328 OVZXKLUAANAVBT-UHFFFAOYSA-N 285.800 2.135 50 40 CEGB Cc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)o1 409205546 PEQMSNYLMFHYDZ-FBJMNJBLSA-N 267.288 2.346 50 40 CEGB N#C/C(=C\N1CCNC1=S)c1nc2ccccc2s1 6576512 QKBYJDMXURIJTE-CMDGGOBGSA-N 286.385 2.351 50 40 CEGB CCC(=O)NNc1cc(C)nc(Cc2ccccc2)n1 1249756 LEEFDOXXTTZCAO-UHFFFAOYSA-N 270.336 2.229 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccncc2)c1 32939168 VCSCJFMFFIUINQ-NCUBORBFSA-N 283.331 2.308 50 40 CEGB CC(=O)Nc1ccc(NS(=O)(=O)CCCCl)cc1 36881318 SIHJMHOANDPSQC-UHFFFAOYSA-N 290.772 2.016 50 40 CEGB CC(C)N(CC(=O)c1cccs1)C(=O)CCl 79436153 VFJFKWKDQCIJHU-UHFFFAOYSA-N 259.758 2.407 50 40 CEGB CCOC(=O)[C@H](Cc1ccc(CCl)cc1)NC(C)=O 39002617 CIAQWTMEOZOLIA-ZDUSSCGKSA-N 283.755 2.036 50 40 CEGB NC(=O)c1oc2ccccc2c1NC(=O)CCCl 4851897 BXYVXKURXCOHQU-UHFFFAOYSA-N 266.684 2.099 50 40 CEGB C=CCOC(=O)[C@@](C)(O)[C@H](Cl)c1ccccc1 1734210 LCDVPJINJIWRFP-YPMHNXCESA-N 254.713 2.447 50 40 CEGB CCOc1ccc(C(=O)N/N=C/c2ccco2)cc1 3184275 KRPCIIMXSPFSOG-XNTDXEJSSA-N 258.277 2.442 50 40 CEGB CCOC(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 12581496 OYHNNONZEPNBPV-UHFFFAOYSA-N 277.107 2.384 50 40 CEGB CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C(=O)O)c1C 409215286 WXOYXZMJSJESAN-RQZCQDPDSA-N 299.330 2.262 50 40 CEGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(O)c(O)c2)c1 409362328 IZTIUHKSALPROI-ZDLGFXPLSA-N 298.342 2.407 50 40 CEGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 409041180 IXUUQPXFFYIUKT-MHWRWJLKSA-N 299.286 2.454 50 40 CEGB CC1(CC(=O)N/N=C/c2ccc[nH]2)SCCS1 409246974 ADXWEMRZRMISPF-MDWZMJQESA-N 269.395 2.051 50 40 CEGB NNC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 216791840 MFHBHPYIHPYWIA-UHFFFAOYSA-N 271.251 2.237 50 40 CEGB CC(C)(C)[Si](C)(C)Sc1cccc(B(O)O)c1 197975884 HNLLVCZYAKWWFN-UHFFFAOYSA-N 268.263 2.464 50 40 CEGB NNC(=O)c1ccc(-c2cccc(Br)c2)o1 226306162 XKDXKDWVKVXPOT-UHFFFAOYSA-N 281.109 2.313 50 40 CEGB CCc1noc(-c2cccn3c(CCl)nnc23)n1 96516534 RSNAIAHATOKKBJ-UHFFFAOYSA-N 263.688 2.081 50 40 CEGB C/C(=N/NC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 19849637 WVWBVLXRMNHAJY-YBEGLDIGSA-N 284.275 2.144 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 38793 ITMMGFORVCVOBN-CQSZACIVSA-N 272.279 2.496 50 40 CEGB Cc1n[nH]c(C)c1CCI 2565624 HZTPPWBWEQKLTG-UHFFFAOYSA-N 250.083 2.004 50 40 CEGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OC(F)F 6453829 DUBTXXIZHLMDKD-YWEYNIOJSA-N 284.287 2.490 50 40 CEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1 17157849 CHADJLPYMPWKJU-UHFFFAOYSA-N 276.380 2.150 50 40 CEGB COC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2 97996059 YGZMJGNGSDGQHJ-WAPJZHGLSA-N 265.652 2.149 50 40 CEGB COC(=O)c1cccc(NC(=O)[C@H](C)Br)c1 41181204 XOZSPDSUKPCRIF-ZETCQYMHSA-N 286.125 2.195 50 40 CEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccccc1 96517864 XDQCXEDTUORDQT-SNVBAGLBSA-N 291.166 2.025 50 40 CEGB CC[C@@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1 75213625 HGTROHKIJPHMEP-RNJQCAHHSA-N 276.336 2.100 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccccc1O 39258 NPVIJJWTRAVAKR-SFQUDFHCSA-N 268.316 2.475 50 40 CEGB Cc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12 5423541 RZDDIJQNHOCDRK-UHFFFAOYSA-N 295.298 2.211 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1c1cc(F)ccc1F 276089 GTMAOYXRWPRMAY-UHFFFAOYSA-N 290.298 2.183 50 40 CEGB NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1711840 OPIHOOGBWKMWMU-UHFFFAOYSA-N 257.249 2.115 50 40 CEGB C[C@@H](O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515386 QAKHNLRVXMVHME-VBEHJTROSA-N 298.342 2.097 50 40 CEGB CCc1ccc(/C=N/NC(=O)c2cc(O)ccc2O)cc1 13321387 KTDFAQNLRNGSLI-LICLKQGHSA-N 284.315 2.424 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(C)cc1C 6389104 RKKGSHKGGPEZSN-UHFFFAOYSA-N 265.382 2.421 50 40 CEGB O=C(NNC(=O)c1ccc(F)cc1F)c1cccs1 6509742 QDUNJJLWCGDPBT-UHFFFAOYSA-N 282.271 2.101 50 40 CEGB CCOC(=O)C(=O)C1=CN(Cc2ccccc2)C=C(C#N)C1 5578484 NOQQMVMGNXVVSP-UHFFFAOYSA-N 296.326 2.316 50 40 CEGB O=C(Cl)C1CCN(C(=O)COc2ccccc2)CC1 11895432 MMXBODOVJIFYBW-UHFFFAOYSA-N 281.739 2.069 50 40 CEGB CCOC(=O)/C(C#N)=C\N1CCc2ccccc2C1 16682036 JMHMXVKCNQZYIM-KAMYIIQDSA-N 256.305 2.015 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1ccccc1O 362242 RRDKSNZDBMQWIG-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB COc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 4513593 RYXCLSQEBCLNQM-RIYZIHGNSA-N 295.295 2.462 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCO1 68773030 SUABUIJALAMDPI-SNVBAGLBSA-N 274.242 2.328 50 40 CEGB O=C(NNc1ccc(Cl)nn1)Nc1ccc(F)cc1 16500385 PBIVSDDPBRFYEM-UHFFFAOYSA-N 281.678 2.418 50 40 CEGB Cn1ccnc1[C@H](NC(=O)CCl)c1ccc(F)cc1 9915583 JNPGKFXKBOTREE-GFCCVEGCSA-N 281.718 2.004 50 40 CEGB CC(C)(C)OC(=O)N1CCN(CCCCl)CC1 35569299 YRYNLXXXMXAVKV-UHFFFAOYSA-N 262.781 2.168 50 40 CEGB Cc1ccc2c(c1)N([C@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 260621890 PPHQPEUVMYJLCU-NWDGAFQWSA-N 275.396 2.466 50 40 CEGB CN(C)/C=N/c1nc(Cl)c(C=C(C#N)C#N)s1 5659024 CKNOVQNJNBZDMB-MKMNVTDBSA-N 265.729 2.448 50 40 CEGB O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)c1ccncc1 5582685 ZGPGDFLTEWTNKH-RFFZPADBSA-N 295.298 2.239 50 40 CEGB biogenic,in-vitro Cc1cc(C(=O)NNC(=O)c2ccc(F)c(F)c2)c(C)o1 22600594 LATSUIJVNYWPON-UHFFFAOYSA-N 294.257 2.249 50 40 CEGB CCOC(=O)/C(C#N)=C\c1cc2cc(OC)ccc2[nH]c1=O 4778899 PWXYXZINSNIRDS-GHXNOFRVSA-N 298.298 2.007 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccncc2)c1 6660019 VCSCJFMFFIUINQ-CYBMUJFWSA-N 283.331 2.308 50 40 CEGB O=C(NNC(=O)c1cc2ccccc2s1)c1ccccn1 9604134 AAQJYBXWKOVNHI-UHFFFAOYSA-N 297.339 2.371 50 40 CEGB C=CCNC(=S)NNC(=O)c1ccc(C(C)C)cc1 6390157 LLWCCJZCDCZGRM-UHFFFAOYSA-N 277.393 2.105 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1cc(OC)cc(OC)c1 100986098 YQEAPZFVHMNJMG-KTKRTIGZSA-N 276.292 2.086 50 40 CEGB O=C(Nc1ccccc1)[C@@H](Cl)C(=O)C(F)(F)F 261829805 RNWATUMTPFBRKN-ZETCQYMHSA-N 265.618 2.364 50 40 CEGB Oc1ccc(N(CCCl)CCCl)cc1O 1717547 ZKICZLKOQOHBIF-UHFFFAOYSA-N 250.125 2.382 50 40 CEGB C/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1 4647012 DRRYGRDLHFBOTK-UYRXBGFRSA-N 295.342 2.474 50 40 CEGB Cn1cc(/C=C(/C#N)C(N)=O)c(-c2ccccc2Cl)n1 66860399 UDJOCGVELYUMFJ-TWGQIWQCSA-N 286.722 2.133 50 40 CEGB N#C/C(=C\c1cc(Cl)ccc1Br)C(N)=O 96435649 YVPHTXGBBVYXPZ-XVNBXDOJSA-N 285.528 2.495 50 40 CEGB O=C(NNC(=O)c1ccccc1F)c1cc2ccccc2[nH]1 8141701 OVPZLHJDGOVRAW-UHFFFAOYSA-N 297.289 2.382 50 40 CEGB Cc1ccccc1CNS(=O)(=O)CCCCCl 95945968 AHJSCJSQAXSLBZ-UHFFFAOYSA-N 275.801 2.433 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC 408801002 SEFRHAANGFZKPU-YRNVUSSQSA-N 294.738 2.018 50 40 CEGB N#CC(C#N)=Cc1ccc(N2CCOCC2)c(F)c1 66255668 LLPQYLNTTOBSEU-UHFFFAOYSA-N 257.268 2.093 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1 5743177 BSNTZMQMOOQTAY-DHZHZOJOSA-N 264.712 2.010 50 40 CEGB Cc1nnc(SCC(=O)N/N=C/c2cccs2)s1 551072 HWCNGTNWRKPXTR-VZUCSPMQSA-N 298.418 2.150 50 40 CEGB CCCCCC(=O)N/N=C/c1ccc(O)c(O)c1 3185579 HMDQCYQAYHOZPQ-NTEUORMPSA-N 250.298 2.128 50 40 CEGB O=C(Cn1cnc2ccccc21)NN=C1CCSCC1 44061326 JKLJKABAYILAFJ-UHFFFAOYSA-N 288.376 2.036 50 40 CEGB CCN(NC(=O)c1ccnc(C)n1)c1ccc(C)cc1 48609170 XRICWZPXWFTPPT-UHFFFAOYSA-N 270.336 2.265 50 40 CEGB O=C1C[C@@H]2C(=C(Br)C=C[C@H]2Br)N1 228938579 CJNCKIHILYZYLK-CRCLSJGQSA-N 292.958 2.062 50 40 CEGB O=C(NNC1=NC[C@@H]2CCCC[C@H]12)c1ccccc1 255189888 SUVKYOOENFHQAN-STQMWFEESA-N 257.337 2.140 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1 485414 LBXNTYOPXYTLRO-UHFFFAOYSA-N 272.279 2.209 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1OC 4737816 YDIKRYJQWSSWLV-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB COc1ccc(-c2nnc(NC(=O)[C@H](C)Cl)o2)cc1 39762236 DNAJINTWGZFBCT-ZETCQYMHSA-N 281.699 2.311 50 40 CEGB CC(C)c1cc(OCc2ccccc2)ccc1B(O)O 196035197 BPMLPIWGDJTUNN-UHFFFAOYSA-N 270.137 2.069 50 40 CEGB NC(=O)[C@@H](Br)Cc1cccc(Cl)c1 17380467 YZKRTQPBEZJWKN-QMMMGPOBSA-N 262.534 2.131 50 40 CEGB CC(=O)N(C)N(C)C(=O)Cc1cccc2ccccc12 18193481 JVDMUNKNYOAPOB-UHFFFAOYSA-N 270.332 2.234 50 40 CEGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccccc1 5070571 KYCXQSMOSBSIKO-GZTJUZNOSA-N 298.371 2.479 50 40 CEGB Cc1ccc(/C=N/NC(=O)CCc2ccc(O)c(O)c2)o1 370455 JQSIMWSURFILDQ-CXUHLZMHSA-N 288.303 2.082 50 40 CEGB CCC(=O)Nc1ccc(NC(=O)CBr)cc1 35605286 NLMGJYTXLBJMQQ-UHFFFAOYSA-N 285.141 2.369 50 40 CEGB COc1ccc2[nH]cc(/C=N/NC(=O)c3ccncc3)c2c1 2201874 GKGCKQHVUQOOFU-VXLYETTFSA-N 294.314 2.335 50 40 CEGB O=C(N/N=C/c1ccnc2ccccc12)c1ccncc1 2419338 BMKNOOLDBXNJPH-YBFXNURJSA-N 276.299 2.394 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1O 32144045 YTOQOAWQMMPWRB-DHDCSXOGSA-N 285.259 2.064 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1O 228214 DUCAOPRNTQGWOQ-OVCLIPMQSA-N 274.276 2.066 50 40 CEGB CNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)O)o1 8091864 XKKOTRBCNDGDRA-NTMALXAHSA-N 296.282 2.298 50 40 CEGB Cn1cc(Br)c(C(=O)NN=C2CCCCC2)n1 5756588 FROWDZIZVAIRDD-UHFFFAOYSA-N 299.172 2.233 50 40 CEGB CC1(C)CC(O)(C(=O)CBr)CC(C)(C)O1 575441562 VICSPZQRCRUXHU-UHFFFAOYSA-N 279.174 2.049 50 40 CEGB CC1(C)CC(=NNC(=O)c2ccncc2)CC(C)(C)N1 5196562 JJLINWICASHLDQ-UHFFFAOYSA-N 274.368 2.108 50 40 CEGB C=CCNC(=S)NNC(=O)Cc1cccc2ccccc12 11050135 SCVISUIQHMOEIJ-UHFFFAOYSA-N 299.399 2.064 50 40 CEGB CC(C)OC(=O)c1ccc(NC(=O)CCl)cc1 1671443 ACETYTFNTSLETR-UHFFFAOYSA-N 255.701 2.429 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1ccc(C(C)=O)cc1 100264253 YLWURFDYJIVPMB-XFXZXTDPSA-N 258.277 2.272 50 40 CEGB O=S(=O)(C[C@H](Br)CCl)c1ccccc1 104040952 ZWRYWMOFELNPEH-MRVPVSSYSA-N 297.601 2.463 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1cccc(Cl)c1 96518916 ASJYTZRAJJTLRS-ZJUUUORDSA-N 283.176 2.373 50 40 CEGB CCOC(=O)NNC(=O)CCCSc1ccccc1 21771470 DNHIDMUNQSESAF-UHFFFAOYSA-N 282.365 2.336 50 40 CEGB C1CN(SSN2CCSCC2)CCS1 1769219 RGHDAWLSWXWYDD-UHFFFAOYSA-N 268.498 2.295 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 3176591 BSVKTRWBJLNNTD-AWEZNQCLSA-N 272.279 2.496 50 40 CEGB Cc1cccc(Cn2nccc2NC(=O)CCl)c1 38341986 JBSTXWDVBSKUNK-UHFFFAOYSA-N 263.728 2.417 50 40 CEGB NNC(=O)CCSc1ncc(C(F)(F)F)cc1Cl 40448049 LBQZFTRSFGDEIW-UHFFFAOYSA-N 299.705 2.226 50 40 CEGB O=C(N/N=C/c1ccccc1O)c1ccc(F)cc1 254133 RUTGLVQMWKQSCD-CXUHLZMHSA-N 258.252 2.295 50 40 CEGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccco1 5027600 CGWADPJURJXSQO-UHFFFAOYSA-N 288.225 2.083 50 40 CEGB Cc1nonc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 3073100 DAJMJLRBYZNNSE-LHHJGKSTSA-N 299.117 2.449 50 40 CEGB NNC(=O)c1cc2ccc(Br)cc2s1 44676329 MVLUJEBERIACBI-UHFFFAOYSA-N 271.139 2.267 50 40 CEGB O=C(N/N=C\c1cccs1)c1ccc2c(c1)OCO2 13115441 YMOJHAPRGAZUPL-AUWJEWJLSA-N 274.301 2.241 50 40 CEGB Cc1cc2c(C)cc(=O)[nH]c2cc1NC(=O)CCl 13638821 RDRLZNNHJWYEQJ-UHFFFAOYSA-N 264.712 2.322 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccco2)c(OC)c1 60512591 MTHZFVCBOJIZND-OQLLNIDSSA-N 274.276 2.061 50 40 CEGB C/C=C\C(=O)OC[C@H](Br)C(F)(F)F 1565662126 RXAPZNQRAXOADA-KQLGLEPJSA-N 261.037 2.432 50 40 CEGB CCOc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N 19816274 ARRCGXZYPJPXFN-UHFFFAOYSA-N 298.371 2.303 50 40 CEGB CC(/C=N/NC(=O)c1cccnc1)=C\c1ccco1 13382276 QYDKBKUMUVAGJL-CCUWFILGSA-N 255.277 2.494 50 40 CEGB COCCCNC(=O)/C(C#N)=C\c1ccc(Cl)cc1 16790710 GLRXWYQZRMYHNL-XFXZXTDPSA-N 278.739 2.400 50 40 CEGB CC1(CC(=O)N/N=C/C=C/c2ccccc2)OCCCO1 408719694 PELDLLSLFUEJEJ-UZDRLMGYSA-N 288.347 2.345 50 40 CEGB COc1cc(/C=N\NC(=O)c2ccc(C)o2)ccc1O 96570004 PYLKCEHDEFLRSL-NVNXTCNLSA-N 274.276 2.066 50 40 CEGB CC(=C/c1ccco1)/C=N/NC(=O)c1ccncc1 13113655 AJOVEAPHFJYXPO-LJOSEPHYSA-N 255.277 2.494 50 40 CEGB CCC(CC)=NNC(=O)C(=O)Nc1ccccc1F 59434097 PGDDSVALYXPOTN-UHFFFAOYSA-N 265.288 2.056 50 40 CEGB NC(=O)NNc1c2ccccc2nc2ccccc12 4855134 UDROHJYKXFZSPE-UHFFFAOYSA-N 252.277 2.383 50 40 CEGB C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(O)cc1 31776111 HTSFWLZHGCFJMX-ZSAINHDTSA-N 284.315 2.310 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 32171988 PGOWOWUIBXTVAN-MFOYZWKCSA-N 298.298 2.188 50 40 CEGB CCOc1ccc(/C=N\NC(=O)c2ccccn2)cc1 33089269 AAPQJNGGDQDWRX-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB C=CCn1c(CC2CCCCC2)ccc1C(=O)NN 226024202 VLHOKASVADANIR-UHFFFAOYSA-N 261.369 2.400 50 40 CEGB Cc1ccc(-c2ccc(/C=C/C(=O)NN)o2)c([N+](=O)[O-])c1 226257600 RPMWWNKQAYNCCQ-QPJJXVBHSA-N 287.275 2.166 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccccc1O 95938777 PIKSTPCXRWWXCO-WJDWOHSUSA-N 254.289 2.085 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 55232 ZHELXCPMQSVBSY-MDWZMJQESA-N 265.269 2.453 50 40 CEGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(O)c1 487212 SVSYPWRDCAFNBC-GIJQJNRQSA-N 287.294 2.094 50 40 CEGB O=C(N/N=C\c1cc(Cl)ccc1O)c1ccncc1 17286336 XBMCOYHOYXSRDF-PXNMLYILSA-N 275.695 2.205 50 40 CEGB CCC1(CC)[C@@H]2NC(Cl)=C(C#N)[C@]1(C#N)C(=N)O2 100223822 NEVVNHXQQGYZKZ-ZYHUDNBSSA-N 264.716 2.214 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(Cl)cc1F 223707168 KPTWAUGLFLLCQE-UHFFFAOYSA-N 281.718 2.490 50 40 CEGB CCOc1ccc(C[C@@H](Br)C(=O)O)cc1 107843326 ITQURCBJXHEYEO-SNVBAGLBSA-N 273.126 2.476 50 40 CEGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(N)=O)o1 58822342 FMWNBPRHBYPZMD-VIZOYTHASA-N 288.263 2.165 50 40 CEGB CC(C)(C)OOC(=O)/C=C\C(=O)OOC(C)(C)C 104041387 HOPIVVNSWHBBIA-FPLPWBNLSA-N 260.286 2.089 50 40 CEGB CC(C)C/C=N/NC(=O)c1nnc(-c2ccccc2)o1 63422551 LDWOOLQGGCNWKO-OQLLNIDSSA-N 272.308 2.498 50 40 CEGB C[C@H](Cc1cn(C)c2ccccc12)NC(=O)CCl 16850970 SSRTVPDKMXDXGO-SNVBAGLBSA-N 264.756 2.464 50 40 CEGB Cc1occc1C(=O)N/N=C1\CC(=O)CC(C)(C)C1 18209122 QWBHLGDEEZOBNX-XNTDXEJSSA-N 262.309 2.453 50 40 CEGB N#C[C@H](C(=O)N/N=C/c1ccccc1O)c1ccccc1 409207222 UAJJYXBLKBWTHV-BGARDKSCSA-N 279.299 2.150 50 40 CEGB CC(C)(C)OC(=O)N1CC[C@H](C(=O)CBr)C1 79069328 CSIKGZJXGIQELU-QMMMGPOBSA-N 292.173 2.207 50 40 CEGB C[C@@]12[C@H](Br)[C@@H]3[C@@H]4C[C@@H]5[C@@H](C(=O)[C@@H]1[C@@H]53)[C@@H]42 195529056 DYJXAYHLFCEUAR-MCRQPCKVSA-N 253.139 2.097 50 40 CEGB CN(C)/C=N/C(=O)/C(C#N)=C/C=C/c1ccccc1 4051400 UHZGGYCWUXPRDY-JDVZUSJISA-N 253.305 2.266 50 40 CEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccn1 5925896 HSEXCDUPKZFBPX-GZTJUZNOSA-N 298.302 2.452 50 40 CEGB CSc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 73617 SDGGZVLYVUKDLW-LFIBNONCSA-N 287.388 2.440 50 40 CEGB C[C@H](Br)CNC(=O)c1ccc([N+](=O)[O-])cc1 1610460 JQHUZZLQDODRJI-ZETCQYMHSA-N 287.113 2.108 50 40 CEGB CCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1 375830 JTENSXABBXTCKS-XYOKQWHBSA-N 256.305 2.271 50 40 CEGB CC(=O)NC(=S)NC1=C(C#N)[C@@H]2CCCC[C@@H]2S1 4293402 IBPWBDVIZMYGSQ-WPRPVWTQSA-N 281.406 2.038 50 40 CEGB C/C(N)=C(\C#N)C(=O)CSc1ncnc2ccccc12 4013128 ADCBNSUFPDWKMO-LUAWRHEFSA-N 284.344 2.047 50 40 CEGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccn1 4724590 HAYVJMSOFMWTKS-LICLKQGHSA-N 273.723 2.428 50 40 CEGB C[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260621840 PEYNAIFVBAHZSO-ZJUUUORDSA-N 279.359 2.296 50 40 CEGB COc1cccc(Oc2cccc(C(=O)NN)c2)c1 15042844 LXWUZFLJDMBRSI-UHFFFAOYSA-N 258.277 2.091 50 40 CEGB Cc1ccc(SCC(=O)NNC(=O)c2ccoc2)cc1 13008100 YZSGLDZYKUSPGG-UHFFFAOYSA-N 290.344 2.141 50 40 CEGB CCC(O)(CC)C(=O)NNc1ccc(C)cc1C 175569 BLTHPSAUTBMMRA-UHFFFAOYSA-N 250.342 2.298 50 40 CEGB O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1cccc([N+](=O)[O-])c1 5671409 XUJMXQCCVQUKKK-TUKVHPRHSA-N 271.276 2.277 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1 35784789 KKLSEAGCANNYGM-YVLHZVERSA-N 282.299 2.457 50 40 CEGB O=C(CBr)c1cnc2n1CC(Cl)=CC2 85223774 ZJZSQKSMXAYHPQ-UHFFFAOYSA-N 275.533 2.140 50 40 CEGB Cc1cccc(NCC(=O)N/N=C/c2ccc(O)cc2)c1 175075 RZQGVHCODNHURB-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB N#C[C@@H](Br)Cc1ccccc1C(=O)O 86615 PMHIIOOSCAMFST-QMMMGPOBSA-N 254.083 2.214 50 40 CEGB NC(=O)[C@H](Br)Cc1cccc(Cl)c1 1667743 YZKRTQPBEZJWKN-MRVPVSSYSA-N 262.534 2.131 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCl 1673789 OIBQNUQNRBWGCS-UHFFFAOYSA-N 257.677 2.264 50 40 CEGB COc1cccc(NC(=O)CI)c1 2017917 YQIDLNFAIBNVOZ-UHFFFAOYSA-N 291.088 2.069 50 40 CEGB COc1cccc(OC[C@](O)(C#N)c2ccccc2)c1 100436070 VPHWMIVTJMMPDO-MRXNPFEDSA-N 269.300 2.485 50 40 CEGB Cc1cc(=O)oc2cc(NC(=O)CCl)ccc12 2584636 MXSAJZSDRZKUDU-UHFFFAOYSA-N 251.669 2.279 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC#N 215799010 FYKYWYCPYHGLOW-JYRVWZFOSA-N 299.330 2.029 50 40 CEGB O=S(=O)(O)c1ccc(F)cc1CCBr 199753452 LRJVGHSTCOZQOU-UHFFFAOYSA-N 283.118 2.010 50 40 CEGB CN(C)/N=C(/CBr)c1ccc([N+](=O)[O-])cc1 5052770 RPDCNARFLJMISI-BENRWUELSA-N 286.129 2.255 50 40 CEGB CC(C)c1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1 5294904 SOMJIQWDMZPPED-MHWRWJLKSA-N 270.336 2.307 50 40 CEGB C/C(=N\NC(=O)C[n+]1ccccc1)c1ccc(Cl)cc1 5829304 LWYSZQNXEBVOCI-SFQUDFHCSA-O 288.758 2.168 50 40 CEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cccs1 4737830 ISULXMXQGFOBNX-NTUHNPAUSA-N 291.288 2.126 50 40 CEGB COC(/C=C/Nc1cccc([N+](=O)[O-])c1)=C(C#N)C#N 1387779 OYCMNYYZIFFMNG-AATRIKPKSA-N 270.248 2.468 50 40 CEGB CCOC(=O)/C(C#N)=C1\Nc2ccccc2C(=O)S1 100955201 PWSVVETYAMLPIP-PKNBQFBNSA-N 274.301 2.284 50 40 CEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 5025510 PNWPEAGOSOWIPR-UHFFFAOYSA-N 299.374 2.059 50 40 CEGB Cc1cc(N/C=C(/C#N)c2nn[nH]n2)c2ccccc2n1 6714473 IDAZHGCTQCGOKX-NTMALXAHSA-N 277.291 2.033 50 40 CEGB CC(=O)c1cc2c(cc1NC(=O)[C@H](C)Cl)OCO2 5721565 CJSBXSOARSEWRK-LURJTMIESA-N 269.684 2.184 50 40 CEGB C/C(=N/NC(=O)c1ccccn1)c1ccc(F)cc1 13686351 QMRXUWJAUDXVTM-YVLHZVERSA-N 257.268 2.375 50 40 CEGB O=C(NNc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O 1638366 IFSBNOFAHOXXEW-CQSZACIVSA-N 299.330 2.009 50 40 CEGB CC(C)[C@@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1 103659177 PBXWOGVKYLPBQY-LLVKDONJSA-N 277.276 2.327 50 40 CEGB O=C(CCl)N1CCN(c2nc3ccccc3s2)CC1 4291263 GKIUXXTZKROZQA-UHFFFAOYSA-N 295.795 2.184 50 40 CEGB Cc1ccc(/C=N/NC(=O)Cc2cn3ccsc3n2)cc1 12656974 CEGCIAYHWIPBEL-CXUHLZMHSA-N 298.371 2.397 50 40 CEGB CCCCCC[C@H]1C[C@](C)(/C(C)=N/NC(N)=O)OC1=O 5142689 MCGPENDGLIEHJX-RAGYYJGWSA-N 283.372 2.323 50 40 CEGB CC(C)c1ccc(C(=O)NNC(=O)c2ccco2)cc1 8355154 JACHDYVFTCJGCU-UHFFFAOYSA-N 272.304 2.478 50 40 CEGB ClCc1nnnn1-c1cccc(Br)c1 36138825 KMRGIHSHDOWECW-UHFFFAOYSA-N 273.521 2.164 50 40 CEGB C/C=C/[C@@H]1OC[C@@H](COC(CCl)CCl)O1 5371791 PGJVQSNRYLCRCO-HLKOZVMDSA-N 255.141 2.167 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2CCCO2)c(Cl)c1 1740128 YARZGYFZIWYPDO-WFSQQTBHSA-N 295.770 2.035 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccccc2)c1 524145 ACKAKYZFDVHHGJ-LFIBNONCSA-N 254.289 2.459 50 40 CEGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NC1CC1 2759232 KYYGVUKHTSQAFK-YCRREMRBSA-N 290.706 2.254 50 40 CEGB O=S1(=O)CC[C@H](Br)c2ccccc2C1 1653747 PXAZBYXKDHKVBH-JTQLQIEISA-N 275.167 2.441 50 40 CEGB CC(=O)N/N=C(\C)CC(=O)Nc1cccc2c1CCCC2 100522880 RITVMXBJXBGZHA-WOJGMQOQSA-N 287.363 2.406 50 40 CEGB CCOCCCNC(=O)/C(C#N)=C\c1cccc(F)c1 82070816 QHHKUKRDSDVICU-LCYFTJDESA-N 276.311 2.275 50 40 CEGB O=C(CCl)NC[C@@H]1CCCN1Cc1ccccc1 79393655 GQBPELXSJHBWLX-ZDUSSCGKSA-N 266.772 2.006 50 40 CEGB Cc1cc(OCC(=O)NN)c(C(C)C)cc1Cl 5538776 LJZGQKVYRWISRA-UHFFFAOYSA-N 256.733 2.141 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1ccc(C(=O)O)cc1 507272 GVYOUSIHERXGRQ-RIYZIHGNSA-N 264.281 2.243 50 40 CEGB COc1ccc(CC(=O)N/N=C(/C)c2ccc(N)cc2)cc1 4372146 HHUIEIDTWJMGIB-UNOMPAQXSA-N 297.358 2.360 50 40 CEGB C[C@@H](Br)C(=O)c1ccc2c(c1)OCCO2 4776263 OCBWTPQSRJMKKO-SSDOTTSWSA-N 271.110 2.424 50 40 CEGB CCC[C@H](C)/C=N/NC(=O)c1cc(O)ccc1O 16973853 HKWDVQZIJOMCDC-PFMRQGHBSA-N 250.298 2.250 50 40 CEGB C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 33303231 VZHLPPKLJUIYTC-JIHKLPAASA-N 296.326 2.367 50 40 CEGB O=C(CCCC[C@H]1CCSS1)NCCCO 79192886 QPQPASXMSHOHIW-JTQLQIEISA-N 263.428 2.199 50 40 CEGB biogenic Cc1ccc(C(=O)NNC(=O)c2sccc2C)cc1 2617751 USZFAWCXXMCOLE-UHFFFAOYSA-N 274.345 2.440 50 40 CEGB O=C(NN=C1CCCCC1)c1ccc2c(c1)OCO2 4155497 CTSQGRQPOHMGST-UHFFFAOYSA-N 260.293 2.465 50 40 CEGB COc1ccc(C(=O)N/N=C(\C)c2ccco2)cc1OC 4592226 COPAFLXBEITQCL-MHWRWJLKSA-N 288.303 2.451 50 40 CEGB CCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1 226022590 ZKGJZXGRTPBWPU-UHFFFAOYSA-N 277.755 2.356 50 40 CEGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)cc1 252201 BFMINUDWJLPFFG-GIJQJNRQSA-N 287.294 2.094 50 40 CEGB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCl 527938 UMTDVCUSRYDGNB-UHFFFAOYSA-N 284.674 2.271 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)c1ccccc1F 54999 JUJYZAKIYBLQHV-UHFFFAOYSA-N 286.306 2.220 50 40 CEGB O=[P@@](O)(CCl)N(CCCl)CCCl 1690474 WUTVKDGTKDNZHV-UHFFFAOYSA-N 254.481 2.148 50 40 CEGB O=C1CCN(Cc2ccccc2)C[C@H]1Br 34122427 WYAPDFWEFUDKDF-LLVKDONJSA-N 268.154 2.225 50 40 CEGB in-vitro Cc1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1C 8733227 MXSBADNVYLUGTO-NSHDSACASA-N 282.771 2.376 50 40 CEGB COc1cccc(NC(=O)C(=O)NN=C2CCCCC2)c1 59515775 OXMVAQZHVIUWFV-UHFFFAOYSA-N 289.335 2.070 50 40 CEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CCCC3 104281536 PQOFCACDJUIWCA-GRUDOPTHSA-N 256.301 2.235 50 40 CEGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)OC(C)(C)C 17007402 ITEGSJSQCMGLEW-UHFFFAOYSA-N 275.308 2.176 50 40 CEGB Cc1cc(C)cc(-n2c(C)cc(C(=O)NN)c2C)c1 121204624 SUHJCDIGCUSVNN-UHFFFAOYSA-N 257.337 2.314 50 40 CEGB CCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 71404759 CSJXUIHJPRVXPN-ONGXEEELSA-O 264.773 2.108 50 40 CEGB O=C1N[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O1 1772714835 ZKNVVDQKLPLNMD-QMMMGPOBSA-N 260.076 2.171 50 40 CEGB N#C/C(=C1/CCCCN1)c1nnc2n1CCCCC2 19932727 AMBHGIWMAVNVCP-VAWYXSNFSA-N 257.341 2.013 50 40 CEGB CC(C)=CC(=O)NNC(=O)c1ccc(OC(C)C)cc1 23154145 YVASJNPVJPDQGT-UHFFFAOYSA-N 276.336 2.201 50 40 CEGB COCCCNC(=O)/C(C#N)=C\c1cccc(C)c1 3348598 FUDYVJPAABZYLR-UVTDQMKNSA-N 258.321 2.055 50 40 CEGB O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)s1 12886312 SNFPOIWIFRPAAB-UHFFFAOYSA-N 296.735 2.182 50 40 CEGB CC(C)(C)C(=O)NNC(=O)c1cccc(Cl)c1 11639103 SERAHJOJPOJMBH-UHFFFAOYSA-N 254.717 2.147 50 40 CEGB CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC(=O)NN 5003788 PDQSVGLZIOOWSJ-CZPYZCIJSA-N 282.428 2.360 50 40 CEGB COc1cc(C)c(/C=N/NC(=O)c2cccnc2)cc1OC 408549681 WWJQQMRBFFSETG-VCHYOVAHSA-N 299.330 2.171 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1 588150 RRBXLZXFKIXOQW-MDWZMJQESA-N 274.236 2.343 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccccn2)cccc1[N+](=O)[O-] 5921564 PIJOBNRHHJISKN-CXUHLZMHSA-N 284.275 2.062 50 40 CEGB CCNc1nn2ccccc2c1/C=C(\C#N)C(=O)OCC 13143000 FICGKGCVBUDYGM-PKNBQFBNSA-N 284.319 2.236 50 40 CEGB CC(=O)N/N=C(\C)c1ccc(Cl)c([N+](=O)[O-])c1 6312181 QYJJCJXPDAMSNI-WUXMJOGZSA-N 255.661 2.108 50 40 CEGB C/C(=N\NC(=O)c1ccoc1C)c1cccc(N)c1 70245 CBWIIIPHKDCHHY-CXUHLZMHSA-N 257.293 2.324 50 40 CEGB COc1ccc(OCC(=O)N/N=C/c2cccs2)cc1 323477 ZICYVPISUPFZKF-OQLLNIDSSA-N 290.344 2.286 50 40 CEGB O=C1O[C@@H](CBr)CN1c1ccccc1 52508152 HCZAPBYNLIYPIY-VIFPVBQESA-N 256.099 2.407 50 40 CEGB O=C(CCCC[C@@H]1CCSS1)N=c1[nH]cc[nH]1 79485094 WAMWFSQWYBIPMA-SECBINFHSA-N 271.411 2.484 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(OC)c1O 3297846 JDFXPCZXDVTSSN-VZUCSPMQSA-N 291.303 2.268 50 40 CEGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 3397472 LXVBGHXUZUTYMR-FMIVXFBMSA-N 271.276 2.124 50 40 CEGB COc1cc(C(=O)N/N=C(\C)C(C)C)cc(OC)c1OC 5726859 UBMPYHLIKFLIRG-MHWRWJLKSA-N 294.351 2.474 50 40 CEGB O=C(C[C@H]1C=CCC1)NNC(=O)c1ccccc1Cl 7913220 OOWHJNBZHTULGG-JTQLQIEISA-N 278.739 2.457 50 40 CEGB O=C(Cl)Cc1ccc(-c2nn3cnnc3s2)cc1 41126886 OFDQNRJJPDENJS-UHFFFAOYSA-N 278.724 2.161 50 40 CEGB COCCNC(=O)CCCC[C@@H]1CCSS1 96114813 UWNVJIRKBZIPGC-SNVBAGLBSA-N 263.428 2.463 50 40 CEGB biogenic COc1ccccc1C(=O)N/N=C/c1cc(C)ccc1O 5961202 FRVXQWMVAASHDM-LICLKQGHSA-N 284.315 2.473 50 40 CEGB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CBr 2144228 CEXZDKYQQDHAQT-QMMMGPOBSA-N 297.152 2.145 50 40 CEGB CN(C)N1C(=C(C#N)C#N)[C@H](c2ccccc2)C[C@H]1C#N 1647998 AMENDCIFUITQOR-GJZGRUSLSA-N 277.331 2.146 50 40 CEGB C[C@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H](C(=O)[C@H]1[C@@H]53)[C@@H]42 100019711 DYJXAYHLFCEUAR-JXDPZEKMSA-N 253.139 2.097 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1ccc(C)cc1 2682460 GBKGLUOWLRTFGJ-GXDHUFHOSA-N 258.321 2.055 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccoc2)c(F)c1 408966713 NBTOFNMZPAXJRB-FRKPEAEDSA-N 257.224 2.054 50 40 CEGB Cc1occc1C(=O)NNC1=CC(=O)CC(C)(C)C1 18137295 POJOOMQWSOUDDP-UHFFFAOYSA-N 262.309 2.095 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccccc1N1CCOCC1 36962934 AWUOXKULRNSWPI-JTQLQIEISA-N 268.744 2.089 50 40 CEGB O=C(CBr)c1c(F)cc(O)cc1F 224680282 WFAFAPMOBMNOPP-UHFFFAOYSA-N 251.026 2.248 50 40 CEGB CC(C)(C)OC(=O)N1CCC[C@H](Br)C1=O 98213717 NQHKGYXQIOQWKN-ZETCQYMHSA-N 278.146 2.307 50 40 CEGB CC(C)(C)OC(=O)COCCCBr 1776011406 MAZAVNNNAZKOCF-UHFFFAOYSA-N 253.136 2.130 50 40 CEGB CCOC(=O)[C@@H](Cc1ccccc1C(=O)OC)SC#N 11690330 WNIPADQQMUINRH-GFCCVEGCSA-N 293.344 2.162 50 40 CEGB O=C1C[C@@]2(C[C@H](Cl)N=N2)C(=O)N1c1ccc(F)cc1 4352493 PRIGSDPKGOPNCD-SKDRFNHKSA-N 281.674 2.249 50 40 CEGB C/C(=N/NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 13689341 GGOCASTZKTWWQJ-ZROIWOOFSA-N 273.248 2.342 50 40 CEGB Cc1cc(C)n(CC(=O)NN=C2CCCCCC2)n1 6940810 DICXSNKPQQDILC-UHFFFAOYSA-N 262.357 2.326 50 40 CEGB Cc1ccn2c(C(=O)N/N=C/c3ccco3)c(C)nc2c1 59516184 JFWGGKAUNSCXLS-CXUHLZMHSA-N 282.303 2.308 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@H]2C=CC[C@H]12 4155361 AXUNWCLLAFEFJM-RXASSTCNSA-N 285.303 2.206 50 40 CEGB COc1ccc(-c2noc(CCl)n2)c(OC)c1 4206836 PAIAKDQUXNBITM-UHFFFAOYSA-N 254.673 2.493 50 40 CEGB COC1=C[C@H]2CCN3C=C(C#N)[C@H](C#N)C[C@@H]3[C@@H]2C=C1OC 5519304 FVPFORLPDFYWHZ-AYRXBEOTSA-N 297.358 2.318 50 40 CEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccsc1 58327 YCNWWKQSLJYANG-LLVKDONJSA-N 276.317 2.003 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)Cc2cccs2)o1 2768564 BCNNSLPKFDRLNB-NTEUORMPSA-N 277.349 2.100 50 40 CEGB CCCN1CCC(=NNC(=O)c2ccccc2OC)CC1 368522 AMUWDJPZWPHHTJ-UHFFFAOYSA-N 289.379 2.287 50 40 CEGB O=C(NNc1ccccc1)c1cc2cc(O)ccc2oc1=O 6344470 RLIXNBRBEKRXEM-UHFFFAOYSA-N 296.282 2.256 50 40 CEGB CSc1ccc(Cl)c(C(=O)NNC(=O)C2CC2)c1 15794335 JHGHXWILLJRZQF-UHFFFAOYSA-N 284.768 2.233 50 40 CEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1[C@H]2CCCC[C@@H]12 18084700 IQBZYIOEAGTXDM-QEKGWTLVSA-N 287.319 2.481 50 40 CEGB CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C#N)cc2)o1 409017327 MTQNGPJVNHTKFO-JYRVWZFOSA-N 277.283 2.471 50 40 CEGB COc1cc(CCl)c([N+](=O)[O-])c(OC)c1OC 504354482 FCGDHABSGJCRNF-UHFFFAOYSA-N 261.661 2.359 50 40 CEGB O=C(Nc1cccc([N+](=O)[O-])c1)OCC#CCCl 1652018 OMSSGXSUXDPMMK-UHFFFAOYSA-N 268.656 2.386 50 40 CEGB CCC(=O)NNc1nc2ccc(OC)cc2s1 4121399 MXTZMHPOGOIWSL-UHFFFAOYSA-N 251.311 2.158 50 40 CEGB COc1cc(NC(=O)NCCCl)cc(OC)c1 3225693 ZKECQENZUGHSHI-UHFFFAOYSA-N 258.705 2.064 50 40 CEGB CCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6049194 FEWVDGIYZMYEEN-UHFFFAOYSA-N 264.369 2.150 50 40 CEGB O=C(N/N=C/C=C/c1ccco1)c1ccccc1O 4815565 WWVLHRBFQYEWAG-GTXXEFQVSA-N 256.261 2.414 50 40 CEGB CCCOc1ccc(/C=N/NC(N)=O)c(OCCC)c1 5431578 OSCSUBAVXLMZGN-MHWRWJLKSA-N 279.340 2.266 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccs1 5514117 AKBPCJXSFLISFL-WDZFZDKYSA-N 265.250 2.013 50 40 CEGB Cc1ccc(NCC(=O)NNC(=O)c2ccccc2)c(C)c1 12642458 WFUFJRUKKGRNMW-UHFFFAOYSA-N 297.358 2.177 50 40 CEGB CN1CCC(=NNC(=O)c2cccc(Cl)c2)CC1 59413006 UWACPEUDUVZYCV-UHFFFAOYSA-N 265.744 2.151 50 40 CEGB CCOC(=O)/C(C#N)=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21 4675048 FULIVKCTQLTTEG-PKNBQFBNSA-N 287.231 2.037 50 40 CEGB C[C@H](Br)C(=O)Nc1ccnn1C(C)(C)C 225814130 LHEFCUMDZGHQPB-ZETCQYMHSA-N 274.162 2.360 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(C2C3CC4CC(C3)CC2C4)C1 45957813 NAHFGGKRSINRAU-MYHLZPBCSA-N 281.783 2.425 50 40 CEGB O=C1N[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)O1 1772715000 NZWWUYNIHKXRLY-QMMMGPOBSA-N 260.076 2.171 50 40 CEGB C/C(NN(C)C)=C(/C#N)C(=O)/C=C/c1cccs1 17175582 ZNWYXEYZINVTHA-AOQSKOSGSA-N 261.350 2.194 50 40 CEGB CC(C)(C)[Si](C)(C)n1cc(B(O)O)c2ccccc21 169844644 GSNHHLNDEKIFIZ-UHFFFAOYSA-N 275.233 2.174 50 40 CEGB C/C(=N/NC(=O)c1ccncc1)c1ccc(F)cc1 1476846 OVJNGQLXMSFBPS-YVLHZVERSA-N 257.268 2.375 50 40 CEGB CN(C)/C=N/C(=O)/C(C#N)=C\C=C\c1ccccc1 33372455 UHZGGYCWUXPRDY-QLDOJXJCSA-N 253.305 2.266 50 40 CEGB CC[C@](Br)(C(=O)O)[C@H](C)Br 1670936 BJIXPDUJLORJJE-UJURSFKZSA-N 273.952 2.398 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1cccc(O)c1 1463788 FYGPJMISSKIQEM-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccccc1C 100927368 YHCKYFYMIRWVGJ-LCYFTJDESA-N 281.315 2.130 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1O 4723480 AKDLMTZWFNHCHR-KPKJPENVSA-N 298.298 2.217 50 40 CEGB O=C(CCl)Nc1ccccc1C(=O)NCc1ccco1 8231211 XKCUEYYBBXOLDO-UHFFFAOYSA-N 292.722 2.387 50 40 CEGB in-vitro COCCNC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 82069966 HUXVFIGKLBYMCE-FLIBITNWSA-N 298.264 2.375 50 40 CEGB C/C(=N/NC(=O)COc1ccccc1)c1ccco1 22001738 YMIADCSBYSLTOB-PTNGSMBKSA-N 258.277 2.199 50 40 CEGB O=[N+]([O-])c1ccccc1C1=NO[C@@H](CBr)C1 217842570 OJRASNUMAHZFMI-SSDOTTSWSA-N 285.097 2.483 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccco2)sc(=S)n1C 550176 LOEYKVRKFSUOLU-WUXMJOGZSA-N 281.362 2.481 50 40 CEGB O=C(NCCBr)N[C@@H]1C[C@@H]1c1ccccc1 1614850 HUJMTDIXWDYIIU-GHMZBOCLSA-N 283.169 2.237 50 40 CEGB CCn1cccc1/C=N\NC(=O)Cc1cccc(OC)c1 408931714 PIDXFAFVOFPUFO-ATVHPVEESA-N 285.347 2.209 50 40 CEGB CCOC(=O)/C(C#N)=C1/Nc2ccccc2[C@@H](C)N1 5585622 SSMKTXUYGHWXKB-IAJSMXOOSA-N 257.293 2.061 50 40 CEGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccoc1 368790 QDTGYGFAGDSJNR-LBPRGKRZSA-N 290.344 2.468 50 40 CEGB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccccc1 103332268 PAGFVPAJSSVKJL-FPMFFAJLSA-N 272.348 2.274 50 40 CEGB CCC(=O)NNC(=S)Nc1ccc(C)c(C)c1 6388693 LDRXAIFRRZTZGW-UHFFFAOYSA-N 251.355 2.031 50 40 CEGB C/C(=N\NC(=O)c1ccccc1F)c1cccnc1 5382067 OPOFXHNACLOGSG-LICLKQGHSA-N 257.268 2.375 50 40 CEGB O=C(C/C(=N/NC(=O)C1CC1)C(F)(F)F)c1ccco1 408955912 PQFFVXLMIPUQIB-YBEGLDIGSA-N 288.225 2.297 50 40 CEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccs1 408729213 YJLZJGWAQLFNRW-OVCLIPMQSA-N 288.328 2.170 50 40 CEGB CC1=C(C#N)C(c2ccc(O)cc2O)C(C#N)=C(C)N1 19594400 GSFRZPRQKWILSM-UHFFFAOYSA-N 267.288 2.380 50 40 CEGB N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 227299 QULCDQMIEKRFIF-BCNIOPEESA-N 274.295 2.028 50 40 CEGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1O 492364 XOTFCWDYZATHBY-OOIIIRTPSA-N 284.315 2.310 50 40 CEGB COc1cccc(OC[C@@](O)(C#N)c2ccccc2)c1 100436067 VPHWMIVTJMMPDO-INIZCTEOSA-N 269.300 2.485 50 40 CEGB CC(C)(C)NC1=NC[C@@H](CI)S1 6692930 IWRMZYDOFRLASX-ZCFIWIBFSA-N 298.193 2.281 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cc2cccc(C)c2[nH]c1=O 421526 ROZXVDSEHSSSDK-MDWZMJQESA-N 282.299 2.307 50 40 CEGB COc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1C 5823191 UQXRQKNXCKFFPY-UHFFFAOYSA-N 298.342 2.387 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2cccnc2)c(OC)c1 4737801 UBQBITXSOPTFAA-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc(F)ccc1F 95626623 WEYNZBYZZUOMCZ-BQYQJAHWSA-N 252.220 2.347 50 40 CEGB CC[C@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C/c1ccco1 96441097 HGTROHKIJPHMEP-DHMFGZFHSA-N 276.336 2.100 50 40 CEGB O=C(CN1CCCc2ccccc21)N/N=C/c1ccco1 4140079 PMWUONZCDDIMGM-GZTJUZNOSA-N 283.331 2.183 50 40 CEGB Cc1sc(NC(=O)c2ccccc2)c(C(=O)NN)c1C 3141348 AXIOAPLHYMBQBU-UHFFFAOYSA-N 289.360 2.221 50 40 CEGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2cccnc2)cc1 5034412 NXPKCPUIMCQQSH-WQRHYEAKSA-N 297.314 2.161 50 40 CEGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1cccs1 4508716 BSUHTGMDZDEBDK-GMROUXNLSA-N 282.365 2.443 50 40 CEGB COc1ccc(CCNC(=O)CCCCl)cc1OC 5527312 BHFBJGRZNPXLFQ-UHFFFAOYSA-N 285.771 2.382 50 40 CEGB biogenic,in-vitro C/C(=N\NC(=O)CN1CCCCCC1=O)C1CCCCC1 83813434 WGKDWPZARIANJF-GHRIWEEISA-N 293.411 2.461 50 40 CEGB Cn1cc(/C=N\NC(=O)c2ccncc2)c2ccccc21 33294330 QIQBHJSDIYBFMI-ZDLGFXPLSA-N 278.315 2.337 50 40 CEGB Cc1cccc(C)c1OC[C@H](O)CBr 96511407 AVIPXKTXUDBLFU-SNVBAGLBSA-N 259.143 2.438 50 40 CEGB COc1ccc(NC(=O)CCl)cc1N1CCCC1 7275967 SBBOMSYGXUUBON-UHFFFAOYSA-N 268.744 2.473 50 40 CEGB CN(C)P(=O)([C@@H](Cl)C(F)(F)F)N(C)C 3203968 KCJGDCLXNXPJSR-RXMQYKEDSA-N 252.604 2.430 50 40 CEGB CSc1ccccc1NS(=O)(=O)CCl 82512201 BSBUFGPDVGLPBB-UHFFFAOYSA-N 251.760 2.347 50 40 CEGB Cc1cc(C)cc(OCCN(C)C(=O)CCl)c1 37654142 UDDHFADXBMXQFF-UHFFFAOYSA-N 255.745 2.379 50 40 CEGB in-vitro COC(=O)N/N=C/c1ccc(F)c(Br)c1 6640127 MKZQTDWNHURBKA-LFYBBSHMSA-N 275.077 2.278 50 40 CEGB Cc1cc(=O)oc2c(OCC(=O)Cl)cccc12 2512527 ZWIXECJTZFYXQE-UHFFFAOYSA-N 252.653 2.246 50 40 CEGB N#CC1=C(N)N2CCSC2=C(C#N)[C@H]1c1ccccc1 92940 LFHZDSRCOUPBMO-ZDUSSCGKSA-N 280.356 2.262 50 40 CEGB O=C(NNC(=O)C1CC1)c1ccc(Cl)cc1Cl 512412 VCNMQYIQAIQZIB-UHFFFAOYSA-N 273.119 2.164 50 40 CEGB N#CC1=C2CCCCN2c2ccccc2S1(=O)=O 67172861 CSOCVJKGVORYMX-UHFFFAOYSA-N 260.318 2.199 50 40 CEGB C=CCN1C(=O)/C(=C(\C#N)C(=O)OCC)c2ccccc21 409386142 DEEGFQUQIMHHMS-WYMLVPIESA-N 282.299 2.059 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)c1cccc(N(C)C)c1 22629899 BHEYBELJRMCRKX-UHFFFAOYSA-N 297.358 2.136 50 40 CEGB C=C(C)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 2186128 HEJCRJINNMDJJI-SECBINFHSA-N 261.350 2.327 50 40 CEGB O=C(N/N=C/c1cc2ccccc2[nH]1)[C@@H](O)c1ccccc1 5024913 OEJILXNQFAVAPJ-GYKGCMEESA-N 293.326 2.352 50 40 CEGB N#C/C(=C\c1ccco1)C(=O)NCc1ccc2c(c1)OCO2 6242801 OFPMFTRNYYMPBH-KPKJPENVSA-N 296.282 2.232 50 40 CEGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)C(N)=O)o1 95952251 USQSSEKFZJCDQH-YRNVUSSQSA-N 296.282 2.346 50 40 CEGB O=C(NN=Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 252429455 QTIIJKYOTTVUBF-UHFFFAOYSA-N 287.250 2.498 50 40 CEGB CCN(Cc1ccc(C#N)cc1F)C(=O)CCl 37654227 MSBAYCXHBCVKMP-UHFFFAOYSA-N 254.692 2.285 50 40 CEGB in-vitro C[C@H]1CN1P(=O)(N1CCCCCC1)N1C[C@@H]1C 104371452 TURZROKNIDMCIC-RZTSDLSZSA-N 257.318 2.379 50 40 CEGB Cc1occc1C(=O)NNC(=O)/C=C/c1ccsc1 8944719 LHAHDBQRPUIYCR-NSCUHMNNSA-N 276.317 2.124 50 40 CEGB CC(C)OC(=O)/C(C#N)=C/c1cnn2ccccc12 96034882 CGHNQFMAJSATCQ-YRNVUSSQSA-N 255.277 2.193 50 40 CEGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(Cl)cc1 8074143 WFLNCDXJANBWJC-SNVBAGLBSA-N 278.739 2.457 50 40 CEGB COC(=O)c1cccc(CBr)c1C(=O)OC 89157260 YWVKACMYFGVPAQ-UHFFFAOYSA-N 287.109 2.155 50 40 CEGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1O 73208427 SUYNYZZSBOCBER-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)CCCl)c1 255187358 CYXVEROKQOYVKV-UHFFFAOYSA-N 284.120 2.261 50 40 CEGB Cc1ccccc1CN1CCCN(C(=O)CCl)CC1 57218749 ZYVSHUVXTPVGKM-UHFFFAOYSA-N 280.799 2.268 50 40 CEGB in-vitro CC1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1 3894785 PXVYGLFSRZUWAX-UHFFFAOYSA-N 256.346 2.369 50 40 CEGB Cc1nc(CC(=O)N/N=C/C=C/c2ccco2)cs1 63367699 NIZJFXIAUHLRFS-FMDPHQNASA-N 275.333 2.402 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)OCCCl)cc1 13765207 POXDXXDZEHWIFY-FLIBITNWSA-N 265.696 2.384 50 40 CEGB CCC(CC)=NNC(=O)Cc1cn2ccsc2n1 6648751 VIGAVFYGTQIIRL-UHFFFAOYSA-N 264.354 2.231 50 40 CEGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)NC 409107396 PIYJDISIYGUIAX-POHAHGRESA-N 264.712 2.392 50 40 CEGB O=C(CBr)CCC(=O)OCc1ccccc1 642880668 IYUYWGNRINLMTN-UHFFFAOYSA-N 285.137 2.474 50 40 CEGB CC/C(=N\NC(N)=O)c1ccc(OC(F)F)cc1 5445828 JIOIXNSWCURCML-OQLLNIDSSA-N 257.240 2.070 50 40 CEGB O=C(CCl)Nc1ccc(N2CCCCC2)nc1 20360384 GHNLQCYJENBPAT-UHFFFAOYSA-N 253.733 2.249 50 40 CEGB in-vitro CC(C)CCC(=O)NNC(=O)N(C)CCC(F)(F)F 103516384 QQEZUJDINMLRHN-UHFFFAOYSA-N 283.294 2.048 50 40 CEGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3nc(N)sc32)cc1 27825402 ALYJHSJCBDTLDX-JTQLQIEISA-N 284.344 2.252 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)O)c(Cl)c1OC 96034892 XEUNYLBVUBBXOY-VMPITWQZSA-N 267.668 2.349 50 40 CEGB CC(C)C(=O)NNC(=O)c1cccc(Cl)c1Cl 15983765 PJGWQIMUFNQRJR-UHFFFAOYSA-N 275.135 2.410 50 40 CEGB CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@@H]2O)[C@H](C)CC1=O 70455017 BDBRZURCDWHOCK-GBALPHGKSA-N 266.337 2.162 50 40 CEGB biogenic,in-vitro CC(=C/c1ccco1)/C=N/NC(=O)Cc1cccn1C 56161 MPVMJLIGSOLTPH-PAOXUHLXSA-N 271.320 2.366 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 252750 LJBGXUGMHCVMSO-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(N)=O 1094415 PKILIGDFXBSVSZ-GXDHUFHOSA-N 292.294 2.298 50 40 CEGB N#CC(C#N)=C/C=C(/c1ccccc1)N1CCOCC1 2380053 PMFFCYSPUUSRQU-APSNUPSMSA-N 265.316 2.333 50 40 CEGB CSC(=C(C#N)C#N)[C@H](C#N)C(=O)NCc1ccccc1 6794375 DJZGSVREDCBHHL-ZDUSSCGKSA-N 296.355 2.107 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1F)c1ccc(O)cc1 3251386 BIHHAKNKXABQFH-CAOOACKPSA-N 276.242 2.434 50 40 CEGB N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccco1 149328 BXXOIYFXAIOXCO-XYOKQWHBSA-N 268.272 2.209 50 40 CEGB COC(=O)N(CCCCCCN(N=O)C(=O)OC)N=O 4778131 RJLHNLDWJWZWNF-UHFFFAOYSA-N 290.276 2.046 50 40 CEGB O=NN(CCCl)C(=O)Nc1ccc(C(=O)O)cc1 4896467 XXPHTAWBJVUIOY-UHFFFAOYSA-N 271.660 2.139 50 40 CEGB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCl 5514101 KMVOIWUCWRTKAO-UHFFFAOYSA-N 258.661 2.171 50 40 CEGB O=[N+]([O-])c1cc(S(=O)(=O)CCl)ccc1Cl 39189692 YGYZHNBAXADALT-UHFFFAOYSA-N 270.093 2.218 50 40 CEGB O=C(CCCl)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 39759156 LPZINWZTYIPAFV-UHFFFAOYSA-N 296.670 2.212 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)[C@H]2CCCO2)c(Cl)c1 31723685 YARZGYFZIWYPDO-WPBJZHHJSA-N 295.770 2.035 50 40 CEGB CC(=O)O[Si](OC(C)=O)(OC(C)(C)C)OC(C)(C)C 169806625 OPARTXXEFXPWJL-UHFFFAOYSA-N 292.404 2.178 50 40 CEGB CCCCCCO[S@@](=O)OC[C@@H](Cl)COC 5249277 NCCJOQVYDWCTIV-QFYYESIMSA-N 272.794 2.432 50 40 CEGB CN(/N=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1N 1572891 RIFBRHTZLMJGBS-XDHOZWIPSA-N 296.374 2.441 50 40 CEGB COC(=O)c1ccccc1C[C@H](Br)C#N 107398 VBJPMPUDQTYKFJ-VIFPVBQESA-N 268.110 2.303 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1C(=O)O 59484951 RXINLUCCQKAZJN-LICLKQGHSA-N 298.298 2.157 50 40 CEGB O=C(NNC(=O)C1CCCC1)c1cccc2ncccc12 65576215 HFBBQCQDDIZEGB-UHFFFAOYSA-N 283.331 2.186 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 7947175 GXDSUGJWXMTSKA-CXUHLZMHSA-N 287.319 2.387 50 40 CEGB NNC(=O)C(F)(F)Sc1ccc(Cl)cc1 85397075 XUYVLNZZRWAALH-UHFFFAOYSA-N 252.673 2.015 50 40 CEGB COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1O 33289550 OPUGEZNGSLOINF-GHXNOFRVSA-N 298.298 2.217 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1ccc(OCC)cc1 100025810 GPNIBZGYRLULPX-KHPPLWFESA-N 260.293 2.468 50 40 CEGB CC(=O)[C@H](Cl)C(=O)c1c(C)nn(-c2ccccc2)c1O 104233978 BTWDQNLIDYLORY-LBPRGKRZSA-N 292.722 2.265 50 40 CEGB CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1 7990460 VLDKZLVTTMQGKC-UHFFFAOYSA-N 251.286 2.248 50 40 CEGB CC(C)(CC(=O)NN)CC(=O)Nc1ccc(Cl)cc1 199422393 XXINZXRVTZZPCD-UHFFFAOYSA-N 283.759 2.075 50 40 CEGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)NN)o1 226256880 PSQYBFAAIOJGGE-QPJJXVBHSA-N 287.275 2.166 50 40 CEGB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)C(N)=O 6505671 GYFWJDDRBRDFIH-XFFZJAGNSA-N 282.255 2.037 50 40 CEGB O=C(CCl)NCCCOc1cccc2cccnc12 41433432 LGCQJBCZFFAKFC-UHFFFAOYSA-N 278.739 2.359 50 40 CEGB Cc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)s1 2795067 RADIONXGBXFYSB-YTRUQHMWSA-N 276.361 2.259 50 40 CEGB CC(C)(C)[C@@H](Cn1cccn1)NC(=O)C(Cl)Cl 2781051 UOIBBWQQQGLJSW-MRVPVSSYSA-N 278.183 2.218 50 40 CEGB BrCCOc1ccc(-n2cnnc2)cc1 49582245 WATFMTKDRVPAJO-UHFFFAOYSA-N 268.114 2.041 50 40 CEGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 5942694 YRGOFJJPSIEUQY-GZTJUZNOSA-N 298.302 2.452 50 40 CEGB CCOc1ccc(/C=N/NC(=O)C2CC2)c(OCC)c1 15934122 AAOAUZRHFITLPG-MHWRWJLKSA-N 276.336 2.344 50 40 CEGB Cc1nc2ccc(NC(=O)NN(C)C)cc2s1 409191051 ZDKODYFWEZIKDS-UHFFFAOYSA-N 250.327 2.203 50 40 CEGB C=CCn1c(Cc2ccc(C)cc2)ccc1C(=O)NN 226029820 IJKRCCMVSBPKNA-UHFFFAOYSA-N 269.348 2.177 50 40 CEGB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C)C(=O)NN 260624703 UCHZZEXMGUGXSP-VXGBXAGGSA-N 275.396 2.466 50 40 CEGB O=C(OC[C@@H](Br)C(F)(F)F)C(F)(F)F 1083809102 FWXHOMPMMYZYGI-UWTATZPHSA-N 288.969 2.418 50 40 CEGB N#C/C(=C\c1ccncc1)C(=O)NC1CCCCC1 7157654 YDTQJQBBHBDXKV-JLHYYAGUSA-N 255.321 2.437 50 40 CEGB O=C(NNC(=O)c1ccc[nH]1)c1cccc(C(F)(F)F)c1 111589 LSOWLOZRUHECOP-UHFFFAOYSA-N 297.236 2.108 50 40 CEGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C(=O)C1 614489 JIOPXWMJXPTYHI-UHFFFAOYSA-N 267.210 2.136 50 40 CEGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(O)cc1 58887007 WLSDVHIYNLJMJJ-YAJBTMAUSA-N 298.342 2.356 50 40 CEGB Cc1ccccc1/C=C/C(=O)NNC(=O)c1ccco1 8354890 YZCPVBZOQVMXFM-CMDGGOBGSA-N 270.288 2.062 50 40 CEGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(C)c1O 96663379 HCBQWDAYOZQDNW-QPEQYQDCSA-N 258.321 2.441 50 40 CEGB C[C@@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C 260619420 LIDSKPIJHHOZMP-MNOVXSKESA-N 261.369 2.157 50 40 CEGB O=C(Cc1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104243061 YOUPAAUSYHCBAL-KKUMJFAQSA-N 286.375 2.203 50 40 CEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccn2C)c1 12859589 VIUKHBNYNZWFTK-LICLKQGHSA-N 285.347 2.171 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(OC)cc1OC 6387113 OGEYYYACCPELHZ-MDZDMXLPSA-N 276.292 2.086 50 40 CEGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Nc3ncnn32)cc1 4511208 DHNOILWFMCFKKJ-ZDUSSCGKSA-N 280.335 2.110 50 40 CEGB CCC(/C=N/NC(=O)C(=O)N/N=C/C(CC)CC)CC 4979759 XWDAAHDDFHABBX-KAVGSWPWSA-N 282.388 2.063 50 40 CEGB O=C(CCl)OCC1CCC(COC(=O)CCl)CC1 263583506 FDTYDVZLKQVYSE-UHFFFAOYSA-N 297.178 2.357 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1 103523379 VBAKZQZKIQXKBE-KPKJPENVSA-N 264.288 2.252 50 40 CEGB CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)C(=O)[C@H]2Br 1830316 MTHNSUMNUZOJER-LIEZGIJOSA-N 275.142 2.230 50 40 CEGB COc1cc(/C(C)=N/NC(=O)c2ccco2)ccc1O 13736749 ZDXBCYMNLVVXQQ-OQLLNIDSSA-N 274.276 2.148 50 40 CEGB O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1cccs1 89780804 BUTHXITVFQUYQV-NTEUORMPSA-N 289.316 2.349 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)c2ccccc2N)cc1 31729785 NQPGZCRWALRHJC-WQRHYEAKSA-N 282.347 2.099 50 40 CEGB O=C(CCl)NNc1ncc(C(F)(F)F)cc1Cl 72482054 QVSMDXOYEIBZSO-UHFFFAOYSA-N 288.056 2.436 50 40 CEGB OC1(C#CCN(CCCl)CCCl)CCCC1 95817267 MWDQOSGWMOYMLN-UHFFFAOYSA-N 264.196 2.075 50 40 CEGB Cc1cc(=O)c2c(o1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 125731 ZHSMOQLOQJSJPJ-CYBMUJFWSA-N 298.273 2.306 50 40 CEGB C=CCOC(=O)C1=C(C)NC(O)=C(C#N)[C@H]1c1cccnc1 23379250 RCYHSEYQRYRQLL-CQSZACIVSA-N 297.314 2.065 50 40 CEGB N#CS[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 32604876 ANWCQPNXCHWURH-NSHDSACASA-N 291.376 2.243 50 40 CEGB O=C(N/N=C/c1ccc[nH]1)c1ccc(NC(=O)C2CC2)cc1 70607 GNFZFNPABKCYAX-VCHYOVAHSA-N 296.330 2.127 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)s1 13321981 UKWBEDAZNWPVFH-VGOFMYFVSA-N 276.317 2.232 50 40 CEGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1Cl 6557789 AVWPBKXUZXBSJQ-UHFFFAOYSA-N 299.717 2.426 50 40 CEGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccncc3)n2c1 408978016 GRMNYNRPPROUQT-GIJQJNRQSA-N 293.330 2.110 50 40 CEGB O=C(CCl)c1cccn1S(=O)(=O)c1ccccc1 32616586 LUKRQOIUJSYDOJ-UHFFFAOYSA-N 283.736 2.147 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)NN)o1 226257193 ZZNKNINOPCGCNM-FNORWQNLSA-N 287.275 2.166 50 40 CEGB CC1=C/C(=N/NC(=O)Cc2ccccc2)C=C/C1=N\O 255189015 NEWZTFQNBHRVTP-KSQUNMIPSA-N 269.304 2.048 50 40 CEGB C[C@]1(C(=O)O)CC[C@H](C(Cl)Cl)[C@]1(C)CO 575602801 XISNCNTUJWCECA-DRTBCBBWSA-N 255.141 2.290 50 40 CEGB COC(=O)c1ccc(CCI)cc1 116142578 FEBZFUASXKRIMS-UHFFFAOYSA-N 290.100 2.451 50 40 CEGB in-vitro CC(C)=NNC(=O)CSc1nc2ccccc2o1 5290931 FISKAGOSIULEAE-UHFFFAOYSA-N 263.322 2.432 50 40 CEGB COc1ccc2c(c1)C(C)(C)CC/C2=N\NC(N)=O 17723739 AHYKEKPWPPBUTI-FOWTUZBSSA-N 261.325 2.139 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCCC1 358010 ADQLSTKWWHWFMA-MDWZMJQESA-N 265.269 2.218 50 40 CEGB CC(=O)NC(=S)NC1=C(C#N)[C@H]2CCCC[C@@H]2S1 4293403 IBPWBDVIZMYGSQ-SCZZXKLOSA-N 281.406 2.038 50 40 CEGB N#CCC(=O)N/N=C/[C@H]1CCC[C@@H](N2CCCCC2)CC1 6947179 DMANREDEZLTRGP-OFSFNHOHSA-N 290.411 2.437 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 57787489 DQBZGFSLEJWOKD-LICLKQGHSA-N 294.270 2.230 50 40 CEGB CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334422 CTYTZXTYJXZPIO-LCYFTJDESA-N 288.347 2.479 50 40 CEGB C=CCN1C=CC=C/C1=C\C=C(/C#N)C(=O)OCC 4154704 HTGAGTCLSRWHRZ-UQNWOCKMSA-N 256.305 2.455 50 40 CEGB CCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 15938508 DVTHMWBBSUJUPU-SDXDJHTJSA-N 293.326 2.187 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(F)c2)o1 408994834 JULPXQTYTMCJLB-CXUHLZMHSA-N 275.283 2.249 50 40 CEGB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2CC(=O)NN 223824878 PUORRXOWJOVMIA-UHFFFAOYSA-N 289.379 2.077 50 40 CEGB OCC[C@H](I)CC(F)(F)F 91251934 UCJXHYAYILUNJU-BYPYZUCNSA-N 268.016 2.125 50 40 CEGB in-vitro Cc1cc2c(c(=O)o1)[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 549773 GEFMXKGETPFUHA-GXFFZTMASA-N 284.315 2.474 50 40 CEGB COc1c(C)cccc1C(=O)NNC(=O)c1cccs1 1262408 HRKOMKXGMKKNEA-UHFFFAOYSA-N 290.344 2.140 50 40 CEGB O=S(=O)(SC1=NCCN1)c1ccc2ccccc2c1 1650613 NKGWMMNTMFDLMC-UHFFFAOYSA-N 292.385 2.221 50 40 CEGB CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)C(=O)[C@@H]2Br 2585634 MTHNSUMNUZOJER-NRZXQICZSA-N 275.142 2.230 50 40 CEGB CC(=O)NNC(=S)Nc1ccccc1C(F)(F)F 6317954 ZFSFEPBFESIYLO-UHFFFAOYSA-N 277.271 2.043 50 40 CEGB COC(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2n1 9304936 GTQTVAQAHAHFNV-YRNVUSSQSA-N 268.272 2.323 50 40 CEGB CN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)CCl 79393672 FZWVHNLRFWILCI-AWEZNQCLSA-N 280.799 2.348 50 40 CEGB Cc1nnc(NC(=O)/C(C#N)=C/c2ccccc2)s1 141586 CBTTZPMJXHPERD-YRNVUSSQSA-N 270.317 2.392 50 40 CEGB O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1ccccc1 512797 YZWNSMPVKQUHAE-DHZHZOJOSA-N 284.290 2.300 50 40 CEGB C[C@@H]1C[C@H]1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 15902386 DMQNEJADIPZSHO-ZJWDHLRQSA-N 290.407 2.396 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)C2CCCCC2)o1 185707 ZQKHIXCONKUEID-XNTDXEJSSA-N 263.341 2.376 50 40 CEGB CCn1nc(C)c(CN(C)C(=O)C(Cl)Cl)c1C 2776744 KVEKWPWCYJLNRD-UHFFFAOYSA-N 278.183 2.282 50 40 CEGB CCOc1ccc(/C=N/NC(C)=O)cc1Br 409014372 PBQYZKKHTRLXPE-NTUHNPAUSA-N 285.141 2.318 50 40 CEGB C/C(=N\NC(=O)c1ccc(N)cc1)c1cccs1 5725350 YDDRFTMRNJVFNQ-OQLLNIDSSA-N 259.334 2.484 50 40 CEGB CC1=C(C(=O)O)[C@@H](c2ccc(O)cc2)C(C#N)=C(S)N1 32010858 WAGACPAKBMNOTP-LBPRGKRZSA-N 288.328 2.103 50 40 CEGB CCn1cccc1/C=N/NC(=O)c1ccc(C#N)cc1F 408966646 MTEAODMGUIXTME-VCHYOVAHSA-N 284.294 2.283 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(O)cc2)n1 409375430 KPQQXEDOXNXNEL-MDWZMJQESA-N 267.288 2.453 50 40 CEGB CC(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2F)o1 40461157 VFCAIZWOLNYYBD-VQHVLOKHSA-N 288.278 2.266 50 40 CEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccsc1 34793110 DHWGAECEASLSRQ-ZSOIEALJSA-N 289.316 2.349 50 40 CEGB NNC(=O)c1ccccc1-c1cc2ccccc2oc1=O 216935774 OOJYHISJECNPKC-UHFFFAOYSA-N 280.283 2.064 50 40 CEGB COc1cccc(C(=O)N/N=C/c2cc(C)ccc2O)c1 561499 NLSCSRNPCZUUAI-LICLKQGHSA-N 284.315 2.473 50 40 CEGB CCOc1ccccc1/C=C(\C#N)C(=O)NCCCOC 6617792 CUEGFXXTZCAJFP-SDNWHVSQSA-N 288.347 2.145 50 40 CEGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1 255955 LYUNESUXTONJMB-VCHYOVAHSA-N 297.314 2.216 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3151154 JUEPDHRBRYIYSE-CXUHLZMHSA-N 298.258 2.219 50 40 CEGB CC(=O)C1(C(C)=O)O[C@@H]2c3ccccc3C=CN2C=C1C=O 5601855 YNWOYEZVWDRNKA-MRXNPFEDSA-N 297.310 2.001 50 40 CEGB CCCOc1ccc(/C=C/C(=O)NN)cc1Br 226361189 SZHGHCFKDBCMKI-GQCTYLIASA-N 299.168 2.241 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(O)c1 271794 JGWLCQJUTHXFIT-CQSZACIVSA-N 270.288 2.063 50 40 CEGB O=C(Nc1cc([N+](=O)[O-])ccc1F)C(Cl)Cl 67970 KAIPCOQZTUEIKG-UHFFFAOYSA-N 267.043 2.476 50 40 CEGB O=C(NNC(=O)C1CCCCC1)NC1CCCCC1 2746906 AWXRAAMWQOWZGR-UHFFFAOYSA-N 267.373 2.230 50 40 CEGB COc1ccccc1OCC(=O)NN=C1CCCC1 510822 GCDHLDIFCJDDCA-UHFFFAOYSA-N 262.309 2.120 50 40 CEGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC=O 100613994 ZGHNUIXOHIYAAD-WOJGMQOQSA-N 273.336 2.016 50 40 CEGB CC(C)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408781125 ADBSRTLEKFMQSD-GZTJUZNOSA-N 290.363 2.413 50 40 CEGB CN(C)[C@H]1CC[C@H](N(C(=O)CCl)C2CC2)CC1 242688066 VEKGSHPKANHZEL-XYPYZODXSA-N 258.793 2.089 50 40 CEGB O=C(N/N=C\c1ccccc1F)c1ccc([N+](=O)[O-])cc1 17009743 NEDIIEBOMLZYTQ-SXGWCWSVSA-N 287.250 2.498 50 40 CEGB CSc1ccc(/C=N\NC(=O)Cc2cccn2C)cc1 31841438 SDGGZVLYVUKDLW-WJDWOHSUSA-N 287.388 2.440 50 40 CEGB COc1ccc(Cl)cc1/C=C/C=C(/C#N)C(N)=O 1709691 MFGLLGUAIRYAOJ-VAIMCSMNSA-N 262.696 2.297 50 40 CEGB N#C[C@H](C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1 409197157 XHWKAAAGQMUJSZ-LZNAANCOSA-N 279.299 2.150 50 40 CEGB Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cn1 79476892 JWTNZNCHEYUQSL-AWEZNQCLSA-N 291.314 2.120 50 40 CEGB O[C@H](CCl)CSc1nnc(-c2ccccc2)o1 546615 JOBPOYCAUWAUQG-SECBINFHSA-N 270.741 2.428 50 40 CEGB CC[C@@](Br)(C(=O)O)[C@@H](C)Br 1670935 BJIXPDUJLORJJE-XINAWCOVSA-N 273.952 2.398 50 40 CEGB CC(C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 1891569 GRPGIKHWWJSDPW-UHFFFAOYSA-N 292.379 2.166 50 40 CEGB O=C1[C@H]2C[C@H]3C[C@@H]1[C@@H](I)[C@@H](C2)C3 4529671 PLSIVLGZSAHBHL-ULHDWMFZSA-N 276.117 2.425 50 40 CEGB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Cl)cc1 40174351 IYHGENOINIQHHR-UHFFFAOYSA-N 275.757 2.142 50 40 CEGB O=c1oc2ccc([N+](=O)[O-])cc2n1CCCCl 35329147 BNGNUYILPSBIOF-UHFFFAOYSA-N 256.645 2.132 50 40 CEGB O=[N+]([O-])O[C@@H](CBr)c1ccc([N+](=O)[O-])cc1 32156438 APCSUXLRGPGZCG-QMMMGPOBSA-N 291.057 2.239 50 40 CEGB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C)C(=O)NN 260624698 UCHZZEXMGUGXSP-NWDGAFQWSA-N 275.396 2.466 50 40 CEGB IC[C@H]1COc2ccccc2O1 14983033 TWFUOISHFCFZII-ZETCQYMHSA-N 276.073 2.261 50 40 CEGB O=C(CCCl)NC[C@@H]1OCCc2ccccc21 3618266 KDGHYXCICWUTDR-LBPRGKRZSA-N 253.729 2.046 50 40 CEGB Cc1oc(C)c(C(=O)NNC(=O)OC(C)(C)C)c1C 71017347 JUGJSOGHHVALLT-UHFFFAOYSA-N 268.313 2.374 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1ccc(F)cc1 13736789 OVJNGQLXMSFBPS-LICLKQGHSA-N 257.268 2.375 50 40 CEGB CC[C@@H](C)[C@@](C)(O)CNC(=O)/C(C#N)=C/c1ccco1 96441098 HGTROHKIJPHMEP-HUUIHGMVSA-N 276.336 2.100 50 40 CEGB O=C(O)[C@H](Cc1ccccc1)N(CCCl)CCCl 6580536 QEGIMPLUXVXFNQ-LBPRGKRZSA-N 290.190 2.462 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1cccnc1 6863421 AEPGWCLQXPDQLL-VCHYOVAHSA-N 265.316 2.334 50 40 CEGB C[C@H]1Oc2ccc(CBr)cc2NC1=O 108235376 AFSXPNWTMSSYNT-ZCFIWIBFSA-N 256.099 2.301 50 40 CEGB COc1ccccc1C[C@@H](Br)C(=O)O 107843427 BUQLBPGFKKAYNQ-MRVPVSSYSA-N 259.099 2.086 50 40 CEGB CCCCNC(=O)NNc1ccc([N+](=O)[O-])cc1 4844232 IFOMEFZJBSTZOX-UHFFFAOYSA-N 252.274 2.021 50 40 CEGB Cc1cc(=O)[nH]c2cc(NC(=O)CCl)ccc12 22053970 USRUAYVEQRYSTQ-UHFFFAOYSA-N 250.685 2.014 50 40 CEGB in-vitro O=C=NC(Br)(Br)Br 34273104 WZQAICIGTVNLNH-UHFFFAOYSA-N 293.740 2.118 50 40 CEGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(N)=O)c2C)cc1 215796700 BRJYEWVVZOXTLG-ZROIWOOFSA-N 295.342 2.495 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 40889253 LVGUASLESQXEFX-WDZFZDKYSA-N 259.265 2.026 50 40 CEGB O=C(N/N=C/c1ccc(F)s1)c1cc(C2CC2)[nH]n1 252510149 ZCKGJNXNPIPGDV-MKMNVTDBSA-N 278.312 2.252 50 40 CEGB O=C(N/N=C/c1ccc(O)cc1)c1ccccc1[N+](=O)[O-] 252810 DETIAVMZBVDYTA-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB O=[N+]([O-])c1ccc(C2(CBr)OCCO2)cc1 164993 NRDICUGTQILBLB-UHFFFAOYSA-N 288.097 2.189 50 40 CEGB Cc1ccccc1NC(=S)NNC(=O)c1ccncc1 13555055 DUCBLVDTLSAVMM-UHFFFAOYSA-N 286.360 2.021 50 40 CEGB CC/C(=N\NC(=O)C(C)(C)O)c1cccc(Cl)c1 32578424 DSSQHGOBAFFOEK-RVDMUPIBSA-N 268.744 2.341 50 40 CEGB Cn1cccc1/C=N/NC(=O)COc1cccc(Cl)c1 546631 HQYJDKUGNKXTTI-CXUHLZMHSA-N 291.738 2.208 50 40 CEGB CCN1C(=O)COc2ccc(C(=O)[C@H](C)Cl)cc21 11770671 SQOKOWPNEUYYSU-QMMMGPOBSA-N 267.712 2.242 50 40 CEGB CCCC/C(C)=N/NC(=O)C(=O)NCCc1ccccc1 4117796 ZEUZCZSNCDHRGX-QGOAFFKASA-N 289.379 2.028 50 40 CEGB biogenic Cc1nc(NC(=O)[C@@H](C)Br)sc1C 4511912 KIFXPURZIDSQOU-SCSAIBSYSA-N 263.160 2.482 50 40 CEGB CSC(=NNC(=O)c1ccccc1O)SC 352554 JRXMLABCZRBXAC-UHFFFAOYSA-N 256.352 2.119 50 40 CEGB COc1cc(O)ccc1/C=N/NC(=O)c1ccccc1 50733 MIWORXHKDSXNHO-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB CCOc1ccccc1/C=C(\C#N)C(=O)NC1CC1 375803 WWAHAWZVATUNCJ-FMIVXFBMSA-N 256.305 2.271 50 40 CEGB O=C(CCc1ccccc1)NCCBr 5872062 RKHBDOZNIAJXRJ-UHFFFAOYSA-N 256.143 2.130 50 40 CEGB N#C/C(=C\c1ccc(C#N)cc1)C(=O)N1CCCC1 2631952 QJRKOEAHSDBQDN-NTEUORMPSA-N 251.289 2.088 50 40 CEGB O=c1cc(CCl)nc(COc2ccccc2)[nH]1 5279475 RKKLXVAREGMTCD-UHFFFAOYSA-N 250.685 2.088 50 40 CEGB Cc1ccc(C(=O)N/N=c2/sc3ccccc3n2C)o1 104923806 DLGHEKXHQIWSRV-JQIJEIRASA-N 287.344 2.387 50 40 CEGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 409020327 NYVQURHNUQQITD-RQZCQDPDSA-N 299.330 2.262 50 40 CEGB CON=C(C(=O)OC)c1ccccc1CBr 254481757 LDPXOYHMGOQPIV-UHFFFAOYSA-N 286.125 2.105 50 40 CEGB N#C/C(N)=C(C#N)/N=C\c1sc(Cl)nc1Cl 161084 DCYCAZZBIURSNI-VUEMAJQESA-N 272.120 2.086 50 40 CEGB CC(C)c1ccccc1NC(=O)CCNC(=O)CCl 15423161 MZUCDIRUIPTCHY-UHFFFAOYSA-N 282.771 2.494 50 40 CEGB CC(C)[C@H](Br)C(=O)NCc1cccnc1 20565624 WBIAUEBLBSRVTR-JTQLQIEISA-N 271.158 2.117 50 40 CEGB in-vitro Cc1ccc(/C=N/NC(=O)c2ccc(N)cc2)s1 2769264 WZQZAUOGTIIHQW-OVCLIPMQSA-N 259.334 2.403 50 40 CEGB COc1ccc(OC)c2c1nc(CBr)n2C 1610062 SCODXVGPGIGFMP-UHFFFAOYSA-N 285.141 2.485 50 40 CEGB CSc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 58915847 FUSSNYAQHPEPRD-LFIBNONCSA-N 291.420 2.345 50 40 CEGB CCC[C@@H](C)/C=N/NC(=O)c1cc(O)ccc1O 16973847 HKWDVQZIJOMCDC-MBBDXHFBSA-N 250.298 2.250 50 40 CEGB O=C(CCI)Nc1ccccc1 72226298 ZBUYXACRGHFHOJ-UHFFFAOYSA-N 275.089 2.450 50 40 CEGB O=C(NN=Cc1ccccc1F)c1ccccc1O 254698965 CTTSDRHWBYEZLM-UHFFFAOYSA-N 258.252 2.295 50 40 CEGB O=C1CCC/C(=N/NC(=O)COc2ccc(Cl)cc2)C1 101477027 YWYPMOMIUXIMAF-WJDWOHSUSA-N 294.738 2.334 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1 498122 UEKWKFFGJRARMZ-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB COc1cccc(C=O)c1OCCBr 8731836 HKVRHBUPUHREGY-UHFFFAOYSA-N 259.099 2.281 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1C)c1cccnc1 59922095 BPCJHYHYAHANBR-QGOAFFKASA-N 283.331 2.309 50 40 CEGB C=CCOc1ccccc1C(=O)N/N=C/c1cccnc1 2665428 ZGAHVRWREMAPPU-LDADJPATSA-N 281.315 2.410 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1C[C@H]1c1ccccc1 5666288 IQWZDJURMNEOIO-CSBKXELUSA-N 299.286 2.442 50 40 CEGB CC(C)OCC1(c2nc(O)cc(CCl)n2)CC1 217794595 WYKZIOACPZQZNS-UHFFFAOYSA-N 256.733 2.378 50 40 CEGB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCl 79393675 YNFGEUCDUJWEHM-AWEZNQCLSA-N 280.799 2.206 50 40 CEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C#N)cc1 59250 KWJIIPLDIXPQMR-OAHLLOKOSA-N 291.310 2.373 50 40 CEGB N#CC1=C(N)SC(O)=C(C#N)[C@@H]1c1ccc(N)cc1 500855 MHRNXUHQIYIFNI-LLVKDONJSA-N 270.317 2.086 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(O)cc1F 37868926 MTROKAYXBYUXTA-IZZDOVSWSA-N 283.262 2.472 50 40 CEGB Cc1cc(C)cc(C(=O)NNC(=O)c2ccc(O)cc2)c1 8941503 QSTVYORLXRKLPT-UHFFFAOYSA-N 284.315 2.084 50 40 CEGB CC(C)C(=O)NNC1=C(C(=O)C(F)(F)F)CCCC1 4113485 SVIBUGSZIKRTGV-UHFFFAOYSA-N 278.274 2.223 50 40 CEGB Cc1ccc(CC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 18254969 ULMXFDXZHOYVBF-UHFFFAOYSA-N 293.326 2.010 50 40 CEGB COC(=O)N[C@@H]1CCCC[C@@H]1I 1708287 YLUSDZORDPJHJE-NKWVEPMBSA-N 283.109 2.089 50 40 CEGB CCc1ccc(/C(C)=N/NC(=O)c2cc(C)n[nH]2)cc1 5877433 JUADGAKEFNHROI-GZTJUZNOSA-N 270.336 2.435 50 40 CEGB CCCCn1ccc(NC(=O)CBr)n1 96524109 CNQJTIAHBWLOGS-UHFFFAOYSA-N 260.135 2.017 50 40 CEGB COc1ccc2c(c1)N([C@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260619403 LDDXTLLGUHINJL-GHMZBOCLSA-N 291.395 2.166 50 40 CEGB CCOc1ccccc1NC(=O)C(=O)NN=C1CCCC1 13922319 OCPQXTOMCMWWRS-UHFFFAOYSA-N 289.335 2.070 50 40 CEGB O=C(O)/C=C/C(=O)NNc1ccc(Cl)cc1Cl 1577680 NPQMCIIBDCJHHP-ONEGZZNKSA-N 275.091 2.077 50 40 CEGB O=NN(CCCl)C(=O)Nc1cccc(C(=O)O)c1 4897549 AHQZKPMOYGTHGK-UHFFFAOYSA-N 271.660 2.139 50 40 CEGB O=C(NNC(=O)c1ccccc1F)Nc1ccccc1 5683957 HQBPKSCUGAOVHI-UHFFFAOYSA-N 273.267 2.292 50 40 CEGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccncc1 30791584 ZMBFZEPWXLUKSQ-GRSHGNNSSA-N 282.347 2.261 50 40 CEGB CC(C)(C)[Si](C)(C)OC(CC(=O)O)CC(=O)O 196787331 OHPIOMMEWYTXCL-UHFFFAOYSA-N 262.378 2.326 50 40 CEGB CO/N=C(\C(=O)OC)c1ccccc1CBr 83291157 LDPXOYHMGOQPIV-RAXLEYEMSA-N 286.125 2.105 50 40 CEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccn2)c1 175082 DYULVNZNKMOIEA-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB CCN(CC)C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 12858651 HHNJGAPHLDDHTG-GHXNOFRVSA-N 272.304 2.191 50 40 CEGB C[C@H]1CCC(SC#N)=C(/C=N/NC(N)=S)C1 5533372 ZOZHKKFDFZPVNY-PBUYIFKYSA-N 254.384 2.094 50 40 CEGB Cc1ccccc1COc1ccc(CCC(=O)NN)cc1 226345077 HXMPVAYXXMHANL-UHFFFAOYSA-N 284.359 2.497 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccccc2)c1O 12371625 NOQSDVQYJGUDMC-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(F)c(F)c1 19597319 FXVHKZHTMNYAKX-UHFFFAOYSA-N 290.298 2.183 50 40 CEGB Cc1cccc(OCC(=O)N/N=C\c2ccccn2)c1C 13943733 ZLKCYSHQIBBCSR-ZDLGFXPLSA-N 283.331 2.228 50 40 CEGB CCOC(=O)N/N=C(/CCC(=O)O)c1cccs1 8227937 VFDVNSLOMAOHDT-WQLSENKSSA-N 270.310 2.063 50 40 CEGB Cc1ccc(SCC(=O)N/N=C/[C@H]2CCOC2)cc1 95946977 OYOJGXSPNVFPGP-AZZDOICSSA-N 278.377 2.226 50 40 CEGB N#C/C(=C/c1ccc(O)cc1O)C(=O)NCc1ccccc1 408747759 SQEGQSLHBWBNNR-ZSOIEALJSA-N 294.310 2.321 50 40 CEGB CC(C)=NNC(=O)c1c(C)nc2ccc(Cl)cn12 409009602 GTCMPOUFQCTBTG-UHFFFAOYSA-N 264.716 2.422 50 40 CEGB Cc1ccc2c(c1)N(CC(=O)NN)C(C)(C)C[C@@H]2C 223189327 BROVSLBMZURZEP-NSHDSACASA-N 261.369 2.077 50 40 CEGB O=C(N/N=C/c1ccc(F)s1)c1ccccc1O 252500695 TUFAMQLKOKJTPD-VGOFMYFVSA-N 264.281 2.357 50 40 CEGB O=C(O)[C@@H](Br)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100482630 WZEMCIVRSRWCLK-RDLSHOLPSA-N 289.169 2.166 50 40 CEGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 3237034 RKFFNBHTPIORQD-AWNIVKPZSA-N 267.672 2.108 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccncc2)cc1[N+](=O)[O-] 5684546 IJNPUZZPLJBKOI-CXUHLZMHSA-N 284.275 2.062 50 40 CEGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1 12403659 HFFVBZLLEWKCNM-YVLHZVERSA-N 298.302 2.331 50 40 CEGB NNC(=O)CCc1ccc(OCc2cccc(F)c2)cc1 226345188 GRHONMZKHUESNZ-UHFFFAOYSA-N 288.322 2.327 50 40 CEGB Cc1ccc(/C=N\NC(=O)c2ccc(C)nc2)c(O)c1 12362759 IHBZDEVGLNEEAO-MFOYZWKCSA-N 269.304 2.168 50 40 CEGB O=C(Cc1cccs1)NNC(=O)c1ccccc1Cl 6402464 ZFJRKGVCLOUVJN-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB CCOC(=O)[C@@H](Br)CCCBr 100066933 IMJLPXIWIIDKHO-LURJTMIESA-N 287.979 2.488 50 40 CEGB CCn1ncc(/C=N/NC(=O)c2c[nH]c3ccccc23)c1C 6490034 ATJPFNASYJTOKQ-QGMBQPNBSA-N 295.346 2.457 50 40 CEGB BrCc1nnc(Br)s1 97758252 YOLQUSBYYQFVTG-UHFFFAOYSA-N 257.938 2.196 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 512088 FXYCNBLLFMCECM-OQLLNIDSSA-N 287.275 2.189 50 40 CEGB N#Cc1c(Cl)cccc1NNC[C@@H](Cl)C#N 159930 XKIMGBFUKJCDGY-ZETCQYMHSA-N 255.108 2.259 50 40 CEGB CC(C)(C)OC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 3155684 HSKQJLRARFSGOG-NTUHNPAUSA-N 281.268 2.159 50 40 CEGB C=CCNC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 5726749 IOFBKFRHOFROLW-UHFFFAOYSA-N 291.420 2.279 50 40 CEGB CCOC(=O)NNC(=O)c1cc2cc(Cl)ccc2o1 21772428 ZWLWPMUNSPERGX-UHFFFAOYSA-N 282.683 2.477 50 40 CEGB NC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2 226051 IHWFKAOWMRMPIA-SPPFVYQKSA-N 272.186 2.452 50 40 CEGB Cc1ccc(C(=O)Oc2c(C)cc(C(=O)NN)cc2C)cc1 256049770 BJFBQXQRXMTWSQ-UHFFFAOYSA-N 298.342 2.435 50 40 CEGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(N)=S 5943980 UGHDZANSKRIYCM-CLTKARDFSA-N 267.697 2.441 50 40 CEGB NNC(=O)CC[C@@]1(c2ccccc2)CCCC/C1=N\O 104249378 XTPCRRRGXRLDAN-COYFKBPASA-N 275.352 2.099 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1 4156252 VBFALWUUEFFNMJ-PKSOXUJMSA-N 256.305 2.377 50 40 CEGB CC1=C/C(=N\NC(=O)[C@H]2COc3ccccc3O2)CC1 5164189 AYQLMASLDXSRKK-VQCBNXJZSA-N 272.304 2.039 50 40 CEGB CCOc1ccc(C(=O)N/N=C/c2cccnc2)cc1 5336411 DUBDVQMKVBAEBQ-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB Cc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1 4526140 WQMYWOUQIRZGLH-LZYBPNLTSA-N 286.287 2.010 50 40 CEGB O=S(=O)(NCCCCl)c1ccc(Cl)cc1 5569993 PPSRWQMDHGVFFY-UHFFFAOYSA-N 268.165 2.247 50 40 CEGB Cc1ccc2c(c1)S(=O)(=O)C(C#N)=C1CCCN12 67340793 QYPBEKWVYKELHO-UHFFFAOYSA-N 260.318 2.118 50 40 CEGB C[C@@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2ccccc21 260619419 LIDSKPIJHHOZMP-GHMZBOCLSA-N 261.369 2.157 50 40 CEGB C=CCc1cc(/C=C(\C#N)C(=O)NC)cc(OCC)c1O 566613 AGICRFMJOZMUPN-MDWZMJQESA-N 286.331 2.172 50 40 CEGB O=C(/C=C/c1ccco1)NNC(=O)c1ccccc1Cl 511217 AWNYHSRSISVJAE-BQYQJAHWSA-N 290.706 2.407 50 40 CEGB Cc1ccc(C(=O)Oc2cccc(/C=N/NC(N)=O)c2)cc1 2807455 ZEFWUPXLWNNWSL-VCHYOVAHSA-N 297.314 2.216 50 40 CEGB CCO[C@@H]1OCC[C@@H](Br)[C@H]1Br 4409266 RURXZTDHPIFRJF-FSDSQADBSA-N 287.979 2.296 50 40 CEGB CCCOc1ccc(/C=N/NC(=O)OCC)c(O)c1 3254510 ZTSSEWPQTBBIOF-NTEUORMPSA-N 266.297 2.261 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2/C[C@H]3C=CC[C@H]23)cc1 97991734 RVQGIYQNRBVDBU-VINXHGEVSA-N 269.348 2.475 50 40 CEGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccccn1 4935131 WBRCKKDPOQWPRZ-YBFXNURJSA-N 286.310 2.173 50 40 CEGB CCCCCCO[S@](=O)OC[C@H](Cl)COC 1756514 NCCJOQVYDWCTIV-QLJPJBMISA-N 272.794 2.432 50 40 CEGB Cc1occc1C(=O)NNC(=O)CC1CCCCC1 5881752 ZGMCTKDYRREDLS-UHFFFAOYSA-N 264.325 2.319 50 40 CEGB C#CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1 409374268 ZSKNGXIQPLGRRS-LDADJPATSA-N 294.310 2.168 50 40 CEGB O=C(NNC(=O)c1cc(Cl)ccc1F)c1ccco1 9724437 JRCGPBMDFMHHDW-UHFFFAOYSA-N 282.658 2.147 50 40 CEGB Cc1c(C(=O)NN=Cc2cccs2)sc(N)c1C#N 408729305 DIKLLUFVCAQJRZ-UHFFFAOYSA-N 290.373 2.336 50 40 CEGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OC 408542635 KEHQIHKHGQGBIW-UXBLZVDNSA-N 262.334 2.287 50 40 CEGB CCc1cc(NC(=O)CCl)c2c(c1)OCCO2 5318263 JZNXRTNZUBJPLO-UHFFFAOYSA-N 255.701 2.198 50 40 CEGB CC(/C=N/NC(=O)C[n+]1ccccc1)=C\c1ccccc1 16789645 AJUCYYFMRLYIEO-PYEASBQRSA-O 280.351 2.180 50 40 CEGB C/C(=N/NC(=O)[C@@H](C)Sc1ncccn1)C(C)(C)C 4492314 FIUMDMUZTLOHLO-UIOUTNAGSA-N 280.397 2.495 50 40 CEGB O=C(NNc1cnccn1)Nc1cccc(Cl)c1 32779543 NXGGRRLBLONUBB-UHFFFAOYSA-N 263.688 2.279 50 40 CEGB CCOc1c(Cl)cc(/C=C(/C#N)C(N)=O)cc1OC 33408249 UJNYYDCPYUCSOQ-WTKPLQERSA-N 280.711 2.140 50 40 CEGB CCC(=O)OC[C@H](Br)CBr 1676058 AQDCQWKURLTSAY-RXMQYKEDSA-N 273.952 2.098 50 40 CEGB Cc1cc(NC(=O)CCNC(=O)[C@@H](C)Cl)ccc1F 8733236 OOQCJJVUTUOWDF-SECBINFHSA-N 286.734 2.206 50 40 CEGB O=C(CN1CCCCC1)N/N=C/c1c(F)cccc1Cl 58915853 OACHLUSMUAHJHE-RQZCQDPDSA-N 297.761 2.415 50 40 CEGB O=C(O)C[C@H](SSCc1ccccc1)C(=O)O 6575166 ULHKCUJOONCJHB-VIFPVBQESA-N 272.347 2.496 50 40 CEGB Cn1cccc1C(=O)NNC(=O)c1ccc2ccccc2c1 12921414 CPEGTLSTIIIQER-UHFFFAOYSA-N 293.326 2.253 50 40 CEGB N#C/C(=C1/CCCCCN1)c1nnc2n1CCCC2 4626225 WGACJBUXRZGIEH-VAWYXSNFSA-N 257.341 2.013 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2cc(F)cc(F)c2)n1 14510680 ZYSAMPQJHKQZDZ-UHFFFAOYSA-N 278.262 2.129 50 40 CEGB Cc1nc(C#N)c(NNC(=O)Nc2ccccc2)o1 72238720 ODYNHQOSMHIHQP-UHFFFAOYSA-N 257.253 2.003 50 40 CEGB CCOC(=O)N/N=C/c1cc2cc(C)cc(C)c2[nH]c1=O 41074191 FLHVHJPYWVNEEB-LZYBPNLTSA-N 287.319 2.225 50 40 CEGB CC(=O)Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1 225892 FZKUPOUGUHNPIM-LICLKQGHSA-N 297.314 2.115 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 225897 CXBRFYPLJLFCSG-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB CC(=O)N[C@H]1CCCCC[C@@H]1I 1712326 LCDLRTZJFWIBNP-IUCAKERBSA-N 281.137 2.259 50 40 CEGB CCc1sc(C(=O)NNC(=O)c2cccnc2)cc1C 12675048 WOLOKCPXIBYHDJ-UHFFFAOYSA-N 289.360 2.089 50 40 CEGB CC(C)Oc1ccc(/C=C/C(=O)NN)cc1Br 216883225 RRSPMQPLDPDXRD-GQCTYLIASA-N 299.168 2.239 50 40 CEGB CC(=O)N/N=C(\C)c1cccc(Br)c1 5282427 NTFWXZILHCVNOU-KPKJPENVSA-N 255.115 2.309 50 40 CEGB COc1ccc(Cl)cc1/C=C/C=N/NC(N)=O 1709670 QCFBGLUTGZSXJT-YJUQPVICSA-N 253.689 2.016 50 40 CEGB CN(C)/C=N/C(=O)/C(C#N)=C/c1ccc(Cl)cc1 3189539 JYQHZVCPLGFQCC-RVTOWZEQSA-N 261.712 2.363 50 40 CEGB CSc1ccccc1NC(=O)CN(C)C(=O)CCl 3445839 FMVMYDDOOKKSSQ-UHFFFAOYSA-N 286.784 2.044 50 40 CEGB O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)c1ccccn1 2346123 BWTYZHMEPOPISD-VNMBVSLOSA-N 295.298 2.239 50 40 CEGB CCCc1n[nH]c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 17724731 WZKWSGPYDZRWBP-ZDUSSCGKSA-N 296.330 2.286 50 40 CEGB Cc1c(NC(=O)CCl)cccc1NC(=O)CCl 6825163 JUVFVKRUEALJAM-UHFFFAOYSA-N 275.135 2.350 50 40 CEGB O=C(Nc1ccc(N2CCOCC2)cc1)C(Cl)Cl 1393142 SLTUBNFOGRQMJK-UHFFFAOYSA-N 289.162 2.265 50 40 CEGB CC[C@@H](C)C(=O)N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21 44004949 MTCVKLUIZSVNRA-SSDOTTSWSA-N 290.279 2.063 50 40 CEGB O=C(CNC1CCCCC1)N/N=C/c1ccc(F)cc1 409375213 HGGKGUDRWYPOFP-VCHYOVAHSA-N 277.343 2.198 50 40 CEGB Cc1ccc(O)c(/C=N\NC(=O)c2ccc(C)nc2)c1 4724702 HRNXIMXASYCSJL-MFOYZWKCSA-N 269.304 2.168 50 40 CEGB NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 193441252 UYEPRJPUIXPSDA-DHZHZOJOSA-N 268.316 2.269 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 580135 IQHAPBMQDOBTLF-LICLKQGHSA-N 297.314 2.115 50 40 CEGB O=C(NCCCl)N[C@@H]1CCc2ccccc2C1 5160708 AATZWARJFHAMMS-GFCCVEGCSA-N 252.745 2.082 50 40 CEGB C[C@@H](Br)CNC(=O)c1ccc([N+](=O)[O-])cc1 6443053 JQHUZZLQDODRJI-SSDOTTSWSA-N 287.113 2.108 50 40 CEGB CN(C)CCOC(=O)c1ccc(CBr)cc1 1720507 GKXGZAJDIADETN-UHFFFAOYSA-N 286.169 2.300 50 40 CEGB N#CC1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 4071593 RKBUYYVCLWNCQF-UHFFFAOYSA-N 257.249 2.286 50 40 CEGB COc1cccc(C(=O)N/N=C(\C)c2ccncc2)c1 5381972 RCMKMIYFGADLJI-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC 6949124 UKKSAQJUTDXQSG-XYOKQWHBSA-N 286.331 2.279 50 40 CEGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)cc2O)cc1 409365658 RHIPVTAHGSLZSX-YVLHZVERSA-N 284.315 2.099 50 40 CEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccco1 409368351 ZEBBCOGVKCIXOD-GZTJUZNOSA-N 298.298 2.064 50 40 CEGB O=C(CBr)NCc1ccc(Cl)cc1 30714939 HFWRJHHLKNQBHJ-UHFFFAOYSA-N 262.534 2.351 50 40 CEGB in-vitro O=C(/C=C/c1ccc(F)cc1)NNc1ncc(Cl)cn1 80343822 VDTZBOXQMNMISC-ZZXKWVIFSA-N 292.701 2.426 50 40 CEGB CC[C@H](C)n1c(Cc2ccco2)ccc1C(=O)NN 226031454 RHNCGEQBTPNKDH-JTQLQIEISA-N 261.325 2.246 50 40 CEGB CCCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253398934 HVTJXVXDHLQEAN-CQSZACIVSA-N 298.346 2.108 50 40 CEGB CCOC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1712991 XKWAGLRNAOOHFN-WUXMJOGZSA-N 271.660 2.328 50 40 CEGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2o1 4830214 CZBJIRQMSVHJCF-HJWRWDBZSA-N 273.317 2.245 50 40 CEGB O=C(CCCC[C@H]1CCSS1)Nc1nc[nH]n1 23140898 IXVXTCKIXAZIEQ-QMMMGPOBSA-N 272.399 2.457 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 1393161 LAHMJYOWCLTTGV-SNVBAGLBSA-N 268.744 2.089 50 40 CEGB in-vitro CC(C)OCc1cccc(CNC(=O)CCl)c1 62146690 LWJJXTPTHLPJAZ-UHFFFAOYSA-N 255.745 2.467 50 40 CEGB in-vitro CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC(=O)NN 5003789 PDQSVGLZIOOWSJ-AVRGHOLYSA-N 282.428 2.360 50 40 CEGB C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 101209871 BLUAFEHZUWYNDE-XGRLGWONSA-N 282.336 2.395 50 40 CEGB Cc1noc(C)c1C(=O)NNC(=O)c1ccccc1Cl 41779196 JTDDYJDJUDBUBV-UHFFFAOYSA-N 293.710 2.020 50 40 CEGB CC(=O)NC1=C(C#N)[C@@H](c2ccccc2)c2c(C)n[nH]c2O1 6382132 SOBMDYRADKFUKM-CQSZACIVSA-N 294.314 2.114 50 40 CEGB O=C(N/N=C/c1ccco1)/C(=C/c1ccccc1)CCO 2252171 RBOPTZZZGBZKQP-DMAJYYCCSA-N 284.315 2.196 50 40 CEGB C[C@@H](Br)C(=O)N1CCO[C@@H](c2ccccc2)C1 95097963 BSQCEKBRCBYAKX-ZYHUDNBSSA-N 298.180 2.370 50 40 CEGB O=C(CCl)N[C@H]1CCCN(Cc2ccccc2)C1 79393659 JBBCJUQSPWNPKL-ZDUSSCGKSA-N 266.772 2.006 50 40 CEGB CCC/C=N/NC(=O)c1ccc(N2CCCC2=O)cc1 4473753 JCNZHMIAGLZQHC-MHWRWJLKSA-N 273.336 2.329 50 40 CEGB C[C@@H]1CCN[P@](=O)(N(CCCl)CCCl)O1 1678090 FKEBIELXSBGYPQ-ANRSDYALSA-N 275.116 2.273 50 40 CEGB O=C(NNC(=O)[C@H]1CC=CCC1)c1cc2c(s1)CCC2 12735307 OCNPIMUPYKOVHG-JTQLQIEISA-N 290.388 2.354 50 40 CEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 5381868 NRANEKIPWNFDRG-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1cccc(O)c1 5527567 CWLJKGHYLGTDAG-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB CC1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@@H]2C#N 5977701 LXTCJCBMPODWLL-JVVWGOMOSA-N 261.350 2.117 50 40 CEGB COc1ccc(C(=O)NN)cc1COCc1ccccc1 224456466 IRVRKRJBAUUDLB-UHFFFAOYSA-N 286.331 2.016 50 40 CEGB Cn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 248971 LQWYPMXCNJHCDE-VCHYOVAHSA-N 278.315 2.337 50 40 CEGB O=C(N/N=C1/CC(=O)c2ccccc21)c1ccccc1 100943726 PMNYBSWWDQKGSH-VKAVYKQESA-N 264.284 2.407 50 40 CEGB Cc1ccc(N2CCOCC2)c(NC(=O)[C@H](C)Cl)c1 34776875 IRCROJZNQDIBPC-NSHDSACASA-N 282.771 2.397 50 40 CEGB COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(N)=O 16692550 GDYBKNBNBYAHKF-UQCOIBPSSA-N 271.103 2.394 50 40 CEGB COCCNC(=O)/C(C#N)=C\c1ccc(SC)cc1 6372313 QMYJUIYFBKZQPW-XFXZXTDPSA-N 276.361 2.078 50 40 CEGB COc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1C 17398942 HEQFFCUZSCDUMF-UHFFFAOYSA-N 280.324 2.173 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc(OC)ccc1OC 100564401 ANCXEDMYFAOHJU-MDZDMXLPSA-N 276.292 2.086 50 40 CEGB Cn1cccc1CC(=O)N/N=C\C=C\c1ccccc1 12428183 GRBHQGJJCNTTIQ-UWEUVYFBSA-N 267.332 2.383 50 40 CEGB O=C(CBr)Nc1ccc(Br)cn1 59642134 QOHWSWIQDUONGO-UHFFFAOYSA-N 293.946 2.178 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(N)=O)o1 103659877 ADQJULQDONTGPC-VIZOYTHASA-N 288.263 2.165 50 40 CEGB Cc1cccc(/C=N/NC(=O)CSc2ncccn2)c1 204899 UENWZSZNNDUNQW-RQZCQDPDSA-N 286.360 2.027 50 40 CEGB Cc1cccc(/C=C/C(=O)NNC(=O)c2ccco2)c1 8937125 LEBGOFIPQBGXJK-BQYQJAHWSA-N 270.288 2.062 50 40 CEGB CCOC(=O)[C@H](Cl)Cc1ccccc1[N+](=O)[O-] 568006 IYHGAAMMCHDABS-SECBINFHSA-N 257.673 2.308 50 40 CEGB CN(Cc1nc2ccccc2s1)C(=O)CCl 4207037 SGTOYJUUZREMEC-UHFFFAOYSA-N 254.742 2.494 50 40 CEGB CC(=O)Nc1ccc(C(=O)NCCCCl)cc1 5378369 HBEHPEXWKYZHEH-UHFFFAOYSA-N 254.717 2.004 50 40 CEGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cccc([N+](=O)[O-])c1 5671407 XUJMXQCCVQUKKK-BTCRKOMKSA-N 271.276 2.277 50 40 CEGB O=C(O)CC/C(=N\NC(=O)c1ccco1)c1ccccc1 17009563 ILEBWYCQUUKQPJ-FOWTUZBSSA-N 286.287 2.279 50 40 CEGB CCOc1cccc(/C=N\NC(=O)c2ccncc2)c1 96437914 OYGCVWAYZVXUNI-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB COC(=O)N/N=C(/C)CC(=O)Nc1ccc(Cl)cc1 5566045 SMNXRFVUHAVDJG-NVNXTCNLSA-N 283.715 2.401 50 40 CEGB Cc1nc(N)sc1C(=O)N/N=C/c1c[nH]c2ccccc12 143252 ULOQRTSGZFTITF-REZTVBANSA-N 299.359 2.279 50 40 CEGB Cc1ccc(C)c(NC(=O)CCNC(=O)[C@@H](C)Cl)c1 8733135 SIWSGUZIOZJYCH-LLVKDONJSA-N 282.771 2.376 50 40 CEGB CNC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12 59678727 JPPUBZHJDGITSR-DHZHZOJOSA-N 253.305 2.140 50 40 CEGB COC(=O)c1sccc1OCCBr 4106746 WWTOWSMTQSQFLU-UHFFFAOYSA-N 265.128 2.308 50 40 CEGB O=C(NNC(=O)c1cc(F)cc(F)c1)c1ccccc1 7766062 PEHUICLEXWWYQG-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB O=C(Cl)c1ccc(S(=O)(=O)NC2CCCC2)cc1 8764105 QBDYXXCUISMUDG-UHFFFAOYSA-N 287.768 2.287 50 40 CEGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1 409370018 JMERGQZGXNBCNC-GZTJUZNOSA-N 259.353 2.059 50 40 CEGB Cc1ccccc1-n1c(C)cc(/C=N\NC(N)=O)c1C 35330054 OOZKZLHBBHRNDS-MFOYZWKCSA-N 270.336 2.405 50 40 CEGB NNC(=O)c1ccc(Cc2ccco2)n1Cc1ccccc1 226031713 ZMGUKERTOABYFZ-UHFFFAOYSA-N 295.342 2.324 50 40 CEGB Cc1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c(C)s1 37060 CKLDBZSRLMITLV-UHFFFAOYSA-N 299.355 2.451 50 40 CEGB COc1ccccc1[C@H]1CC(=O)NC(SC)=C1C#N 8996097 PBGQXHGQUDXWEV-SNVBAGLBSA-N 274.345 2.397 50 40 CEGB Cn1nccc1C(=O)N/N=C/c1c(O)ccc2ccccc12 492853 PXQHQFFROBDEDK-LICLKQGHSA-N 294.314 2.043 50 40 CEGB COc1cc([C@H]2CC(=O)NC(SC)=C2C#N)ccc1O 181186 ZZYXTENXUDXVJF-SECBINFHSA-N 290.344 2.102 50 40 CEGB C=C1[C@@]2(C(N)=O)CC[C@H](C2)[C@@]1(C)CBr 488347 XNFCJDUDXXIGMC-DVVUODLYSA-N 258.159 2.229 50 40 CEGB CC(C)(C)CC(=O)NNC(=O)Cc1ccc(Cl)cc1 24304715 XJMGJXWSYCNHOH-UHFFFAOYSA-N 282.771 2.466 50 40 CEGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC 2769924 LGXQOQBTFHOYGM-UKTHLTGXSA-N 298.342 2.446 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 2790544 GVYYJUIAYQCRDB-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)n1 409377375 HCAUWFQIWBPZFR-UXBLZVDNSA-N 286.247 2.249 50 40 CEGB NNC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)no1 78404315 LJMFPGYFMYTLFU-UHFFFAOYSA-N 280.287 2.007 50 40 CEGB COC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C 84079629 NUPILPGLGYYPEU-UJMHRVFCSA-N 288.347 2.364 50 40 CEGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1C 270336 YVKCPNWEWYVLHM-RIYZIHGNSA-N 283.331 2.458 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccc(C(=O)O)cc1 33399646 QFNFNBVQMCFOHY-BOPFTXTBSA-N 282.299 2.078 50 40 CEGB CC(=O)NNc1nc(-c2ccc(NC(C)=O)cc2)cs1 552373 HCQCCVCGQXHEPA-UHFFFAOYSA-N 290.348 2.232 50 40 CEGB C=CCOC(=O)[C@](C)(O)[C@@H](Cl)c1ccccc1 1734211 LCDVPJINJIWRFP-WCQYABFASA-N 254.713 2.447 50 40 CEGB O=C(OC[C@H](Cl)CCl)c1ccc(O)c(O)c1 2042194 XCQITELFZQNIME-SSDOTTSWSA-N 265.092 2.101 50 40 CEGB O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1cc(O)ccc1O 102333698 LCGLYIYCOPABGX-WZFMOBBISA-N 260.293 2.004 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 100065755 BLUAFEHZUWYNDE-GLXNYWKWSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro N#C/C(=C\c1ccncc1)C(=O)Nc1ccccc1C(=O)O 408887381 QIVIKYOQXKDQFF-FMIVXFBMSA-N 293.282 2.325 50 40 CEGB NNC(=O)Cc1ccc(Br)c2ccccc12 13894281 UTUCCEHTQVFNAL-UHFFFAOYSA-N 279.137 2.135 50 40 CEGB CN(NC(=O)Cc1ccccc1O)c1ccccc1 69453553 MUQKFHWNJGYZJY-UHFFFAOYSA-N 256.305 2.102 50 40 CEGB CCCN(C[C@H]1COc2ccccc2O1)C(=O)CCl 9646786 JUWYMTSFBYXWQF-NSHDSACASA-N 283.755 2.304 50 40 CEGB Cc1ccc(COc2cccc(C(=O)NN)c2)cc1 226318712 YTGJRBZNPXGIPI-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB CN(N/C(N)=C/C#N)c1ncc(C(F)(F)F)cc1Cl 100259304 ACFQUSQOTBVZCT-KRXBUXKQSA-N 291.664 2.018 50 40 CEGB COc1ccc(OC(=O)CCBr)cc1 1679184 SDDQPMKOVOPPDV-UHFFFAOYSA-N 259.099 2.386 50 40 CEGB CCCCSCC(=O)NNC(=O)c1cc(C)oc1C 24556797 HRASYKZVWQVOKI-UHFFFAOYSA-N 284.381 2.191 50 40 CEGB CC(C)=NO[P@](N)(=O)N(CCCl)CCCl 104223833 VRULFXSOOPONOG-HNNXBMFYSA-N 276.104 2.245 50 40 CEGB Cc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1 3555170 UKXGZHYQXDRJHO-UHFFFAOYSA-N 260.337 2.336 50 40 CEGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc[nH]1 8753506 BOMGEXWXNQIACN-UHFFFAOYSA-N 298.129 2.396 50 40 CEGB COc1ccc(C[C@@H](CO)NC2=C(C#N)CCC2)cc1 31871679 BMPIJGYSYBXBMU-AWEZNQCLSA-N 272.348 2.150 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccccc1C 96518962 VDADFDSXPVBBNR-QWRGUYRKSA-N 262.758 2.028 50 40 CEGB COC(=O)Cc1ccc(F)c(CBr)c1 169796744 MQVIHDULZZUPSX-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB Cc1cc([N+](=O)[O-])ccc1NC(=O)CBr 5750036 SGTLYUYMJBRATE-UHFFFAOYSA-N 273.086 2.237 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)c1ccc[nH]c1=O 12741459 JPPZCEURSLOBQC-UHFFFAOYSA-N 297.236 2.151 50 40 CEGB Cc1ccc(C)c2c1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 104257923 RGVJSMKRCNBIRS-DUBDDPSESA-N 254.285 2.370 50 40 CEGB CCOc1ccc(C(=O)N/N=C/c2ccncc2)cc1 2729574 NEDIDEBZFAKGIJ-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(OC)c1 5559515 SDHKIUVHEBCHPP-UKTHLTGXSA-N 286.331 2.233 50 40 CEGB O=C(CCCCC(=O)OCCCl)OCCCl 4720891 WLORHGNITQGZGZ-UHFFFAOYSA-N 271.140 2.111 50 40 CEGB Cc1cccc2c(C(=O)NN)cc(-c3ccco3)nc12 6318500 GUBDNZSBVCDOTB-UHFFFAOYSA-N 267.288 2.407 50 40 CEGB CCCCSC[C@@H](O)C[C@@H](CCC(C)C)C(=O)NN 2314767 QTJORSDXWZNJRU-OLZOCXBDSA-N 290.473 2.313 50 40 CEGB NC(=O)N/N=C(\C(=S)Nc1ccccc1)c1ccccc1 68572213 XRSPKKNQEQXNBE-AQTBWJFISA-N 298.371 2.499 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(OCC)cc1 12137855 GPNIBZGYRLULPX-ZHACJKMWSA-N 260.293 2.468 50 40 CEGB CC(=O)Nc1ccc(/C=N\NC(=O)c2ccco2)cc1 31670121 OGGIDNFZLOOKHE-DHDCSXOGSA-N 271.276 2.002 50 40 CEGB CCCCC(=O)N/N=C/c1ccc(NC(C)=O)cc1 1702895 PMLMTAJTTGJXEA-XNTDXEJSSA-N 261.325 2.285 50 40 CEGB CC(C)CNC[C@@H](Br)CBr 3164612 VFEPZGMZLVSRCX-ZETCQYMHSA-N 273.012 2.390 50 40 CEGB COc1ccccc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 31723627 PKTWGBKIDPYHEH-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB CCOC(=O)/C(C#N)=C/N1CCc2ccccc2C1 31659270 JMHMXVKCNQZYIM-SDNWHVSQSA-N 256.305 2.015 50 40 CEGB O=C(C(Cl)Cl)N1CCN(Cc2ccccc2)CC1 38147890 RWMOOKHKAKFYGK-UHFFFAOYSA-N 287.190 2.135 50 40 CEGB Cc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1[N+](=O)[O-] 45953498 VJUYTYHWVVAHNL-QMMMGPOBSA-N 282.683 2.022 50 40 CEGB Cc1nn(C(=O)CCl)c(C)c1Br 369687 BIHOMFYOKURFBP-UHFFFAOYSA-N 251.511 2.141 50 40 CEGB CCCCCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1 6856547 GBTLBYDAEDNQOD-UHFFFAOYSA-N 288.351 2.249 50 40 CEGB CCOc1ccc([C@H]2C(C#N)=C(N)S/C2=N\O)cc1 101646556 USANFKCQRAJGGL-CQINNJSPSA-N 275.333 2.397 50 40 CEGB N#C/C(=C/c1cccnc1)S(=O)(=O)c1ccccc1 29764165 NRQRQNPEJRBKDO-ZROIWOOFSA-N 270.313 2.420 50 40 CEGB CSc1nc(NNC(C)=O)c2c3c(sc2n1)CCC3 5034149 PZMBOTNKGIGQRH-UHFFFAOYSA-N 294.405 2.365 50 40 CEGB O=C(CCl)N1CCSc2ccc([N+](=O)[O-])cc21 95644351 IJLNERYVQWAHRL-UHFFFAOYSA-N 272.713 2.272 50 40 CEGB O=C(N/N=C\c1ccccc1O)c1cccc([N+](=O)[O-])c1 17315920 RMHSVTCXLRMIRJ-DHDCSXOGSA-N 285.259 2.064 50 40 CEGB O=C(NNC(=O)C1(c2ccccc2)CCC1)C1CCCC1 47451565 GZMLXGXYMVEEAL-UHFFFAOYSA-N 286.375 2.446 50 40 CEGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)NCC1CC1)C(O)=N2 64921310 BWBOFKHKJIZOHJ-UHFFFAOYSA-N 286.335 2.318 50 40 CEGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)cc1 6187906 GBNOIOQGMAGYGO-LBPRGKRZSA-N 266.304 2.245 50 40 CEGB CN(C)CCNC(=O)CCCC[C@@H]1CCSS1 13914288 FUMFVZQFUSTSBW-LLVKDONJSA-N 276.471 2.378 50 40 CEGB biogenic Cc1c(C(=O)N/N=C/c2ccoc2)cccc1[N+](=O)[O-] 15933922 BSCNNOUADNCDAD-VGOFMYFVSA-N 273.248 2.260 50 40 CEGB CCn1nc(/C(C#N)=C/c2cccc(OC)c2)c(C#N)c1N 408974244 XWVYJLBNXYPBCP-KPKJPENVSA-N 293.330 2.430 50 40 CEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cccs1 33246785 ISULXMXQGFOBNX-QPEQYQDCSA-N 291.288 2.126 50 40 CEGB Fc1cnc(N2CCC[C@@H](CBr)C2)nc1 79440396 LGHWBCVLSVKLLH-QMMMGPOBSA-N 274.137 2.227 50 40 CEGB CC(C)(C)OC(=O)N1CC[C@H](n2cc(CCl)nn2)C1 575414991 DPGWQDMKPIJWKR-JTQLQIEISA-N 286.763 2.199 50 40 CEGB Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccncc2)cc1 235064 PLNXFJMWDJYXHH-FHXOWUIVSA-N 282.347 2.341 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2sccc2C)c(C)o1 5272327 CLNGGTMMWFHHLH-UHFFFAOYSA-N 278.333 2.341 50 40 CEGB O=C(N/N=C/c1ccccc1)c1ccccc1[N+](=O)[O-] 252733 WDBYUVIJXIVCNY-XNTDXEJSSA-N 269.260 2.359 50 40 CEGB O=C(O)CCC(=O)NNc1nc(-c2ccccc2)cs1 552489 KTTBCVJEEUEORD-UHFFFAOYSA-N 291.332 2.118 50 40 CEGB O=C(NNC(=S)Nc1ccccc1)c1ccc(F)cc1 3226351 AZEMRAXQABORRL-UHFFFAOYSA-N 289.335 2.457 50 40 CEGB O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1cc(O)ccc1O 20436311 LCGLYIYCOPABGX-OOBNDSQKSA-N 260.293 2.004 50 40 CEGB CCc1ccc(/C(C)=N\NC(=O)CC2(C)OCCO2)cc1 408591454 TYXINSQFPJPHDO-ATVHPVEESA-N 290.363 2.242 50 40 CEGB Cn1cc([C@@H]2C[C@H]2C(=O)NNc2cccc(Cl)c2)cn1 66044129 LWMHZHRSMGKNBY-QWHCGFSZSA-N 290.754 2.320 50 40 CEGB Cc1cc2ccccc2c[n+]1C[C@H](O)CBr 17290086 WNIDUQKQLPCOBR-CYBMUJFWSA-N 281.173 2.192 50 40 CEGB O=C1Cc2ccccc2N1CCCBr 32108187 OZFIZXADMNVJMC-UHFFFAOYSA-N 254.127 2.361 50 40 CEGB COc1ccc2c(c1)C[C@@H](CI)O2 218743053 PLRNRCGIPZLBQM-VIFPVBQESA-N 290.100 2.434 50 40 CEGB CCn1c(C)cc2c(c1=O)[C@H](C(C)C)C(C#N)=C(N)O2 2324492 NLUVZJRHZDJFIB-GFCCVEGCSA-N 273.336 2.003 50 40 CEGB CCOc1ccccc1/C=C(\C#N)c1n[nH]c(N)c1C#N 4853170 JSFYWEIVHFTQET-YRNVUSSQSA-N 279.303 2.326 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@@H]1C[C@@H]1c1ccccc1 5667023 IQWZDJURMNEOIO-SUNVMROUSA-N 299.286 2.442 50 40 CEGB Cc1ccc(OCC(=O)N/N=C\c2ccncc2)c(C)c1 30843108 GDWSXRJCWISNKD-ZDLGFXPLSA-N 283.331 2.228 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2ccc(O)cc2)cc1 585399 BJQLPTQWRGMDSY-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB N/C(CCl)=N\OC(=O)c1cccc(C(F)(F)F)c1 8552868 ZKYPRXCDLJABBD-UHFFFAOYSA-N 280.633 2.373 50 40 CEGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(O)cc1 5672528 YWLVLBVOPJLINV-KDVJWSOISA-N 256.305 2.320 50 40 CEGB CCC1(CC)[C@@H](OC)NC(Cl)=C(C#N)C1(C#N)C#N 22172434 AEHVBLTUSLKGGB-LLVKDONJSA-N 278.743 2.376 50 40 CEGB Cc1ccc(/C=N\NC(=O)c2ccncc2)cc1[N+](=O)[O-] 408876667 NACZYXBPDCJZAG-SXGWCWSVSA-N 284.275 2.062 50 40 CEGB CN(C[C@@H]1CCCN1C(=O)CCl)C(=O)OC(C)(C)C 79408711 SCRURWBOMWYRPW-JTQLQIEISA-N 290.791 2.083 50 40 CEGB CC1=C[C@@]2(Nc3cc(C)c(C)cc3O2)C(C#N)=C(N)O1 40545168 GNICNMKSMWZZRF-HNNXBMFYSA-N 269.304 2.432 50 40 CEGB COC(=O)/C(C#N)=C\c1cc2c(C)ccc(C)c2[nH]c1=O 421517 UNCIYRAZLXFDMS-SDQBBNPISA-N 282.299 2.225 50 40 CEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccco1 516750 VHBUPSRVBHNRFJ-CXUHLZMHSA-N 272.304 2.426 50 40 CEGB CCN(CC)C(=O)c1ccc(NC(=O)CCl)cc1 2647844 ZNPSXTYXYLPVJR-UHFFFAOYSA-N 268.744 2.346 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@H]1C=CCC1 24305123 PYIBRIQBFFFXKM-NSHDSACASA-N 292.766 2.386 50 40 CEGB N#CCC(=O)N/N=C/c1cc(-c2ccccc2)sc1O 20530270 RYVUUCXVAZWOCF-CXUHLZMHSA-N 285.328 2.484 50 40 CEGB Cc1ccc(NC(=O)C(=O)NN=C2CCCCC2)cc1 4611371 IMDIAJHYTISJKH-UHFFFAOYSA-N 273.336 2.370 50 40 CEGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(OC(C)C)cc1 15915225 PYDLJYIMYOGLFS-YTXTXJHMSA-N 288.347 2.367 50 40 CEGB CCOC(=O)NNC(=O)c1cccc2ccccc12 9513448 WRBIMFXULLGROQ-UHFFFAOYSA-N 258.277 2.231 50 40 CEGB Oc1cc(CCl)nc(C2(COCC3CC3)CC2)n1 217794835 LVBNRTJVAIONKX-UHFFFAOYSA-N 268.744 2.379 50 40 CEGB CC(C)N(C(=O)CCl)[C@@H]1CCCC[C@@H]1N(C)C 79406677 NIYYNJKVKKICPV-NWDGAFQWSA-N 260.809 2.335 50 40 CEGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 31723609 HSROVYYCGBKLEL-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB COc1ccc(-c2nc3cc(C(=O)NN)ccc3o2)cc1 216794751 DCRGBSZHXVTILR-UHFFFAOYSA-N 283.287 2.107 50 40 CEGB CC(C)n1nccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253396443 DUUSDNCNQMJEFN-AWEZNQCLSA-N 298.346 2.279 50 40 CEGB COC(=O)N/N=C/c1cc(Br)cs1 179705 RBUYRXJELLNUFD-YCRREMRBSA-N 263.116 2.201 50 40 CEGB CCC(CC)=NNC(=O)C(=O)Nc1ccc(C)cc1 4524573 KLLXLKSJXLWKDN-UHFFFAOYSA-N 261.325 2.226 50 40 CEGB CN(C(=O)CCl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79392472 DPETUXDAGXYUNM-SNVBAGLBSA-N 290.791 2.083 50 40 CEGB COc1ccccc1NC(=O)N(CCCl)N=O 4963077 OLWGIKPHCGRTPE-UHFFFAOYSA-N 257.677 2.449 50 40 CEGB C[S@@](=O)(=S)OCc1ccc(CCl)cc1 103751374 HCIWHTYSDAYILX-AWEZNQCLSA-N 250.772 2.233 50 40 CEGB C/C(=N/NC(N)=O)C(=S)Nc1ccc(Cl)cc1 68572197 ZFDJRZAYHVAMOF-NSIKDUERSA-N 270.745 2.124 50 40 CEGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccncc1 408854281 BMRIYMDQPQOFNF-UYRXBGFRSA-N 294.358 2.446 50 40 CEGB O=C(CSc1ncccn1)NN=C1CCCCC1 67321447 HCZQMHGLMONZCW-UHFFFAOYSA-N 264.354 2.005 50 40 CEGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)c(O)c2)c(C)c1 216046238 OHCMJQCSXBAWRT-ZDLGFXPLSA-N 298.342 2.407 50 40 CEGB O=C1c2ccccc2C[C@@H]1I 44564188 YYCUBXRVXPVFPC-QMMMGPOBSA-N 258.058 2.229 50 40 CEGB CNC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C 45163905 BUOBDPCTZQIDMR-LCYFTJDESA-N 280.331 2.142 50 40 CEGB C[C@H](Br)[C@@H](Br)C[N+](C)(C)C 313507 MKNMPEQOVKGLMP-BQBZGAKWSA-N 274.020 2.240 50 40 CEGB O=C(CCl)Nc1cccc(CN2CCSCC2)c1 47843858 BDWVDAVKQQMOQO-UHFFFAOYSA-N 284.812 2.413 50 40 CEGB in-vitro COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Cl 3887346 SYSSICKCUZXGKF-ZCFIWIBFSA-N 258.661 2.169 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 6827550 NQMOOJWMKAMNDC-GHXNOFRVSA-N 274.320 2.135 50 40 CEGB Cc1ccc(O)c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 103618839 KVAZKYMCHLAWLK-SXGWCWSVSA-N 299.286 2.373 50 40 CEGB C[C@@H](Br)C(=O)N1CCN(c2ccccc2)CC1 8703335 IZPIVLPDWWDZQS-LLVKDONJSA-N 297.196 2.119 50 40 CEGB C#CCOc1cccc(/C=N/NC(=O)c2ccco2)c1 409367967 KITKARHTFLFWBG-LFIBNONCSA-N 268.272 2.056 50 40 CEGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccccc1 28216543 LJFUEBAHBITNQM-WOJGMQOQSA-N 280.331 2.458 50 40 CEGB CCC(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1 45953891 FWQZQZUNVHNPIO-SECBINFHSA-N 294.738 2.153 50 40 CEGB CC[C@@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C/c1ccco1 96441096 HGTROHKIJPHMEP-YNAXTPHLSA-N 276.336 2.100 50 40 CEGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1O 5576162 HADKJZRNEAFHSM-JOIQNNHISA-N 256.305 2.320 50 40 CEGB O=C(CCS(=O)(=O)C(Cl)Cl)Cc1ccccc1 40372 ZQEVQPVGVMXQDW-UHFFFAOYSA-N 295.187 2.364 50 40 CEGB COC(=O)/C(=C(/F)S/C(C#N)=C(\C)N)C(F)(F)F 5053547 QZZYXHVTIXHSOF-YTXTXJHMSA-N 284.234 2.350 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1C 564309 ZYFAKRPGADSVPT-DJKKODMXSA-N 298.321 2.417 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2cccnc2)cc1[N+](=O)[O-] 5942722 PGSXPNUSLROJOG-CXUHLZMHSA-N 284.275 2.062 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 16437877 MZOXBDUTXRFXLK-UKTHLTGXSA-N 286.331 2.233 50 40 CEGB C/C(NN(C)C)=C(/C#N)C(=O)/C=C\c1cccs1 17175581 ZNWYXEYZINVTHA-WTVYDBEASA-N 261.350 2.194 50 40 CEGB CC(C)OC(=O)O[C@@H](C)I 21992474 XZVBIIRIWFZJOE-YFKPBYRVSA-N 258.055 2.329 50 40 CEGB in-vitro Cc1c(NC(=O)CCl)cccc1N1CCOCC1 8701864 WMBYMWQGFIJICE-UHFFFAOYSA-N 268.744 2.009 50 40 CEGB CC(=O)Nc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 61724 OIFDOSXISXBKEK-LDADJPATSA-N 295.342 2.338 50 40 CEGB Cc1nc(NC(=O)[C@H](C)Br)sc1C 4511913 KIFXPURZIDSQOU-BYPYZUCNSA-N 263.160 2.482 50 40 CEGB CN(C)C[C@@H]1CCCCC[C@H](Br)[C@@H]1O 4962522 SODWHFWWJDWGHK-GARJFASQSA-N 264.207 2.253 50 40 CEGB O=[N+]([O-])c1cccc(C2=NO[C@H](CBr)C2)c1 217842836 AQBNPYRUPROANG-VIFPVBQESA-N 285.097 2.483 50 40 CEGB CC1=C(C#N)[C@@H](C(=O)Nc2ccccc2Cl)CC(=O)N1 14165543 BUERNNJOAKCRRV-VIFPVBQESA-N 289.722 2.212 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(O)c1 267730 LKHLYUUYWPINOO-CAOOACKPSA-N 298.298 2.193 50 40 CEGB O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@@H]1CCCO1 102153797 RLDKKIKEIGXMRU-ILYVAAGUSA-N 262.353 2.094 50 40 CEGB C[C@@H](OC[C@H]1CCCCO1)C(=O)NN(C)c1ccccc1 106575751 VWRKYTBNHHTTHG-UKRRQHHQSA-N 292.379 2.128 50 40 CEGB C=CCOC(=O)C1=C(C)NC(O)=C(C#N)[C@H]1c1ccco1 27062703 VZMGUXMQIRYPGU-ZDUSSCGKSA-N 286.287 2.263 50 40 CEGB CC(C)NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 59435577 KDQCRHUOFCNMFV-UHFFFAOYSA-N 281.400 2.220 50 40 CEGB O=C(Cc1cccc2ccccc12)NNC(=O)C1CCC1 12060729 QABBZPZCXRAREQ-UHFFFAOYSA-N 282.343 2.330 50 40 CEGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccnc1 4634822 IRCDOLXNZVNQCF-CYBMUJFWSA-N 271.345 2.296 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(OC)cc1OC(C)C 96298420 YYSRGLQJUOISEB-KPKJPENVSA-N 274.320 2.135 50 40 CEGB CC[C@H](Br)C(=O)N(C)CCc1ccccn1 61487699 QHFJKZGLYUJSDM-NSHDSACASA-N 285.185 2.256 50 40 CEGB O=C(Cc1ccccc1)NNC(=O)c1cc2ccccc2[nH]1 9884934 LTEPAXSJULVFEQ-UHFFFAOYSA-N 293.326 2.172 50 40 CEGB CC1=C[C@H]2c3ccccc3[C@@]1(C)[C@@H]1C(=O)OC(=O)[C@H]21 408734046 GDRAIUUDPWLKNV-GXCBOPRBSA-N 254.285 2.317 50 40 CEGB CCn1cccc1/C=N/NC(=O)Cc1ccccc1 408943076 XYHFUMQOWUIUNW-FOWTUZBSSA-N 255.321 2.201 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2cccc(N)c2)ccc1O 45748 JVLBZPLXJOFSMH-VCHYOVAHSA-N 299.330 2.137 50 40 CEGB Cc1occc1C(=O)NNC(=O)c1c[nH]c2ccccc12 12741851 OUNAMAFPPCEIIO-UHFFFAOYSA-N 283.287 2.144 50 40 CEGB CC(C)Cc1ccc(CN2CCC[C@H](C(=O)NN)C2)cc1 14628687 ZHCIOIKAMQXVEB-INIZCTEOSA-N 289.423 2.087 50 40 CEGB N#C/C(=C1\CCCCCN1)S(=O)(=O)c1ccccc1F 67340896 ZWSLVWXOAQIBTG-OWBHPGMISA-N 294.351 2.498 50 40 CEGB N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)NC(N)=O 409232787 PXROPXVXJYTEDJ-FLIBITNWSA-N 281.271 2.048 50 40 CEGB CC(C)Cc1ccc(C(=O)NN)n1Cc1ccccc1 226023331 UCIJBPWRLQHWMX-UHFFFAOYSA-N 271.364 2.338 50 40 CEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(N)c1 12403669 HXGWREMJYLHPPL-LICLKQGHSA-N 298.302 2.331 50 40 CEGB C/C(N)=C(\C#N)C(=O)CSc1ccccc1F 104475758 RZKGKOQANORMBK-HJWRWDBZSA-N 250.298 2.243 50 40 CEGB O=C(N/N=C/c1ccc(Br)o1)c1ccccn1 3159573 TWHNYJNOPJJLLF-VGOFMYFVSA-N 294.108 2.201 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC 4721700 DFNQEYYIYPLPOA-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB CCOC(=O)OCCSSCCC(=O)OC 1626933 IYCRLNNZXYAHPF-UHFFFAOYSA-N 268.356 2.104 50 40 CEGB C[C@H]1CCN[P@](=O)(N(CCCl)CCCl)O1 1678089 FKEBIELXSBGYPQ-VXJOIVPMSA-N 275.116 2.273 50 40 CEGB CCC[C@@H](Br)[C@H](Br)C(=O)O 4808221 FGZJHRRUZOQKDJ-UHNVWZDZSA-N 273.952 2.398 50 40 CEGB NNC(=O)CSc1cc(Cl)ccc1Cl 3887092 NJIMVEJPWZFENQ-UHFFFAOYSA-N 251.138 2.075 50 40 CEGB CCc1ccc(-n2c(C)cc(C(=O)NN)c2C)cc1 223708444 VZSAPNAJXWWVBE-UHFFFAOYSA-N 257.337 2.260 50 40 CEGB COc1ccc(C(=O)NN)cc1COc1ccccc1C 224094191 NJEAVNKWGXIOAH-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1C 11293204 XLIWDCHFASCYNV-XYOKQWHBSA-N 256.305 2.189 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1ccccc1Cl 6638489 CWFUQABZGHPHJI-FMIVXFBMSA-N 278.739 2.400 50 40 CEGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc(F)cc1 8812057 WULHZBDWZTTWID-YBFXNURJSA-N 297.289 2.492 50 40 CEGB CCOC(=O)/C(C#N)=C1/NC=C(C(F)(F)F)C=C1Cl 66323341 KJDJZZQMWZXFAX-VQHVLOKHSA-N 292.644 2.499 50 40 CEGB C[C@H](Cl)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 4205110 HMFCJXUBWSMHRG-PWFXGISBSA-N 284.787 2.408 50 40 CEGB COc1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1O 33341829 RXNJGPGLPLIOCQ-PXNMLYILSA-N 288.303 2.375 50 40 CEGB C/C(=N/NC(=O)c1ccc(F)cc1)c1ccccn1 12342891 PHKNHJHCBOJBTD-YVLHZVERSA-N 257.268 2.375 50 40 CEGB CCCNC(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(C)c1 78693441 XRAWMQWWYFTINX-ZSOIEALJSA-N 295.346 2.009 50 40 CEGB COc1ccc2ccccc2c1/C=C(/C#N)C(N)=O 33314504 SXZSTGVBWDKKJO-FLIBITNWSA-N 252.273 2.241 50 40 CEGB CCOc1cc(Cl)cc(/C=C(\C#N)C(N)=O)c1 408867056 HZSUSEHPFOLTPU-YCRREMRBSA-N 250.685 2.131 50 40 CEGB O=C1C[C@]2(C[C@@H](Cl)N=N2)C(=O)N1c1ccc(F)cc1 4352494 PRIGSDPKGOPNCD-JOYOIKCWSA-N 281.674 2.249 50 40 CEGB COc1ccc(C=C2[C@@H]3C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]32)cc1 104146707 PDACYKVUVCOEAG-DDHJSBNISA-N 282.295 2.210 50 40 CEGB O=C(CCCC[C@@H]1CCSS1)Nc1nc[nH]n1 23140896 IXVXTCKIXAZIEQ-MRVPVSSYSA-N 272.399 2.457 50 40 CEGB N#C/C(=C1\CCCCCN1)c1nnc2n1CCCCC2 13121823 RXLGCDURRDYQSF-SEYXRHQNSA-N 271.368 2.403 50 40 CEGB NNC(=O)c1cc(-c2cccc(O)c2)nc2ccccc12 6536194 VTRAXLCKCSPXBL-UHFFFAOYSA-N 279.299 2.211 50 40 CEGB Cc1n[nH]c2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2 18265489 HOHDQFRNCBCFMY-LLVKDONJSA-N 266.304 2.131 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)CCC2)[C@H](O)c1ccccc1 25666510 OMWPCNMEBNUEHW-MIQLPHMESA-N 294.354 2.359 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc[nH]2)c(C)c1 20194518 INSCLKAUXGRKMT-LICLKQGHSA-N 255.321 2.324 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1cccn1C 409102507 ARABENWSZMSLKE-MHWRWJLKSA-N 271.320 2.106 50 40 CEGB Cc1cc(Cl)ccc1Nc1nc(CC(=O)NN)cs1 223450615 XLLDNXBWUKJTHA-UHFFFAOYSA-N 296.783 2.381 50 40 CEGB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)CBr 96032466 AHDOQGYAXYGUQV-MRVPVSSYSA-N 292.173 2.350 50 40 CEGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 47929 ARPDGDFBSZTXOD-VBEHJTROSA-N 298.342 2.097 50 40 CEGB C/C(CCc1ccc2c(c1)N[C@H](C)CC2)=N\NC(N)=O 4235263 MLBYHMNEFGFXMJ-NFDWGTCTSA-N 274.368 2.410 50 40 CEGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O 292380 GZQOBPXLYWIDLX-JXMROGBWSA-N 283.243 2.247 50 40 CEGB O=C(NNC(=O)c1cccc(Cl)c1)c1ccccc1 485314 GEQXLEVIMBZRQW-UHFFFAOYSA-N 274.707 2.415 50 40 CEGB CCN1CCC(=NNC(=O)CCc2ccccc2)CC1 55074088 SAPNJBZCCCSZQE-UHFFFAOYSA-N 273.380 2.207 50 40 CEGB C/C(=N\NC(=O)C(N)=O)c1ccc(C2CCCCC2)cc1 15938740 RODMTNZXEDYFFF-WOJGMQOQSA-N 287.363 2.060 50 40 CEGB C/C(=N\NC(=O)CSc1ncccn1)c1ccccc1 33958433 KGLPDSJNLDWRGI-GZTJUZNOSA-N 286.360 2.109 50 40 CEGB CCc1noc(-c2ccn3c(CCl)nnc3c2)n1 96516528 WIGMXHJVFXKUNJ-UHFFFAOYSA-N 263.688 2.081 50 40 CEGB O=C(NNC1=NC[C@H]2CCCC[C@@H]12)c1ccccc1 255189885 SUVKYOOENFHQAN-CHWSQXEVSA-N 257.337 2.140 50 40 CEGB Cc1ccc(C)c2c1[C@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 104257928 RGVJSMKRCNBIRS-RDBQEKCUSA-N 254.285 2.370 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1F)c1ccncc1 3252299 YCDHFVFVOTXUPO-CAOOACKPSA-N 261.231 2.124 50 40 CEGB CC1(C)[C@]2(C)CC[C@]1(Br)C(=O)OC2=O 100015403 RYWWJLPKKKYWSY-ZJUUUORDSA-N 261.115 2.030 50 40 CEGB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2Cl)cc1 4558194 YFHNKAAHIKQLST-VXGBXAGGSA-N 273.785 2.433 50 40 CEGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccccc2)n1 5926139 JQDGMJWLHGJVJT-LFIBNONCSA-N 270.336 2.040 50 40 CEGB CN(/N=C\c1ccc2c(c1)OCO2)C(=O)c1ccccc1N 31769168 NOISANGKXMAJFH-NVMNQCDNSA-N 297.314 2.104 50 40 CEGB COc1ccc(CN2CC[C@@H](Br)C2=O)cc1 21997828 IFONEQATKFCJON-LLVKDONJSA-N 284.153 2.191 50 40 CEGB O=C(Cn1ccc2ccccc21)NNC(=O)c1ccccc1 4607757 HZGLGLYKBMABEM-UHFFFAOYSA-N 293.326 2.103 50 40 CEGB C/C(=N/NC(=O)CC1(C)OCCO1)c1cc(C)ccc1C 408591446 TVLVWFCRCMBTGZ-LGMDPLHJSA-N 290.363 2.297 50 40 CEGB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCl)C1 79408739 LLFVAZPTDVYTHR-JTQLQIEISA-N 290.791 2.083 50 40 CEGB COc1cccc(/C=N/NC(=O)OC(C)(C)C)c1O 3157820 JLNVMCOSHVRYKI-RIYZIHGNSA-N 266.297 2.259 50 40 CEGB CCCCC(=O)NNC(=O)c1ccc(Cl)cc1 5711483 MRSQYQQRVAGMPS-UHFFFAOYSA-N 254.717 2.291 50 40 CEGB O=C(O)/C=C\C(=O)NN(c1ccccc1)c1ccccc1 16791132 FGDLFGLUXGJYMG-QXMHVHEDSA-N 282.299 2.497 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2cccc(O)c2)cc1 60459 PCHAIRDTTLSPGO-LICLKQGHSA-N 284.315 2.230 50 40 CEGB O=C1C[C@@]2(C[C@@H](Cl)N=N2)C(=O)N1c1ccc(F)cc1 4352495 PRIGSDPKGOPNCD-CABZTGNLSA-N 281.674 2.249 50 40 CEGB C/C(O)=C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 103626748 KBSLOJZVNRHRLL-OKFFXAGVSA-N 263.253 2.162 50 40 CEGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(C)=O)o1 4510500 FRNNLVZUUXJULD-CXUHLZMHSA-N 286.287 2.203 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccccc2)c1 33322882 ACKAKYZFDVHHGJ-WJDWOHSUSA-N 254.289 2.459 50 40 CEGB CC(C)(O)C(=O)N/N=C/c1ccc2ccccc2c1 32578400 SYHSJLZTARWQHP-MHWRWJLKSA-N 256.305 2.061 50 40 CEGB C[C@@H](Br)C(=O)Nc1ccc2c(c1)OCC2 225812479 IPMJBVQQHZNQGQ-SSDOTTSWSA-N 270.126 2.343 50 40 CEGB O=[N+]([O-])c1ccc(Cc2noc(CCl)n2)cc1 160813 COZDQAXAPNFXHD-UHFFFAOYSA-N 253.645 2.307 50 40 CEGB CCOC(=O)CCSSCCOC(=O)OCC 1626940 YVAVBRQBDPLMPH-UHFFFAOYSA-N 282.383 2.494 50 40 CEGB N#C/C(N)=C(\C#N)NC(=O)Nc1cccc(C(F)(F)F)c1 3107883 IXSQTPLZWQHSAV-KTKRTIGZSA-N 295.224 2.044 50 40 CEGB NC1=C(c2nc3ccccc3s2)CC(=O)N1CCCl 7778757 RMTKWTNHLUYAFV-UHFFFAOYSA-N 293.779 2.395 50 40 CEGB Cc1ccc(N2C(=O)C[C@@]3(C[C@H](Cl)N=N3)C2=O)cc1 5179005 ABCJMEZJDMFQHT-MFKMUULPSA-N 277.711 2.418 50 40 CEGB O=C(CCCc1cccs1)NNC(=O)c1ccco1 17255439 BTHAXBSIRINBSP-UHFFFAOYSA-N 278.333 2.125 50 40 CEGB O=C(/C=C\c1ccccc1)N/N=C\c1ccncc1 31723650 MUBTWLFFAHUJTJ-SBTNSYOVSA-N 251.289 2.245 50 40 CEGB C=CCc1cc(/C=C(/C#N)C(=O)NC)cc(OCC)c1O 33328590 AGICRFMJOZMUPN-JYRVWZFOSA-N 286.331 2.172 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@@H]2CC[C@H]1C2 4143547 LMDYJALQGMNNBR-VVMFYBRISA-N 287.319 2.430 50 40 CEGB C[C@H](Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 35222650 ZHUYXQJPSVQHBT-WCQYABFASA-N 266.772 2.004 50 40 CEGB in-vitro N#C/C(=C/c1ccc(O)cc1)C(=O)NC1CCCC1 59133080 JBDAVOJFUNRSOD-XFXZXTDPSA-N 256.305 2.358 50 40 CEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C 2697931 DIDSDPORLQVQAK-AWEZNQCLSA-N 284.315 2.250 50 40 CEGB COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccnc1 5335553 GHNXTHKOSGJBSR-OAHLLOKOSA-N 279.299 2.308 50 40 CEGB CCOc1cccc(/C=N\NC(=O)c2ccco2)c1 32704819 CMSJZVTVOUDERQ-GDNBJRDFSA-N 258.277 2.442 50 40 CEGB NNC(=O)/C=C/c1cccc(OCc2ccccc2F)c1 226339016 XUMVJXHSIIFYAF-CMDGGOBGSA-N 286.306 2.408 50 40 CEGB COc1ccc(NCC(=O)N/N=C2/C[C@@H]3CC=C[C@H]23)cc1 33579046 ZXXGDLGDOICETD-HTLYNOCZSA-N 285.347 2.175 50 40 CEGB COc1ccc(/C(=N/NC(N)=O)c2ccc(C)cc2)c(O)c1 55152975 MZMIJALKVQROEH-OBGWFSINSA-N 299.330 2.130 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]1N=NC2(c1ccccc1)c1ccccc1 104061674 DNKBRMSPMXPAHC-UONOGXRCSA-N 292.294 2.464 50 40 CEGB NCCCCCC(=O)N/N=C/c1cccc2cccnc12 5100896 SBFCSFPCMOXQNU-XDHOZWIPSA-N 284.363 2.204 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2N)cc1 4867853 YSHGWTMHDIZPGD-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB CC(C)C(=O)N/N=C1\C(=O)Nc2ccc(C(C)C)cc21 46426581 MKWBNJUFDZKKKI-UHFFFAOYSA-N 273.336 2.238 50 40 CEGB C[C@@H](Br)CCON1C(=O)c2ccccc2C1=O 17380867 QNKWVMVEVRUKRO-MRVPVSSYSA-N 298.136 2.388 50 40 CEGB C/C(=N\NC(=O)c1nn(C)cc1Cl)c1ccc(F)cc1 12362416 CLYPHQMVPAPYQI-LZYBPNLTSA-N 294.717 2.367 50 40 CEGB O=C(NNC(=S)Nc1ccccc1)[C@H]1C=CCCC1 339222 HIWCRLQGWFNGBC-NSHDSACASA-N 275.377 2.361 50 40 CEGB COC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(F)c1F 96298374 UFXYJUFELLXKAY-VKRGWIQLSA-N 280.274 2.023 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSC#N 98063969 QKPNLRVDGQUUJX-UHFFFAOYSA-N 251.267 2.056 50 40 CEGB CC(C)N(C(=O)CCl)[C@H]1CCCC[C@@H]1N(C)C 79406681 NIYYNJKVKKICPV-RYUDHWBXSA-N 260.809 2.335 50 40 CEGB Cc1ccc2c(c1)N(CC(=O)NN)C(C)(C)C[C@H]2C 260612865 BROVSLBMZURZEP-LLVKDONJSA-N 261.369 2.077 50 40 CEGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1 485185 KPZUTQHQTWPGDO-MHWRWJLKSA-N 285.303 2.392 50 40 CEGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccncc1 13586203 YFGADQFOLMRFHM-MRXNPFEDSA-N 292.342 2.366 50 40 CEGB Cc1ccc(C(=O)NNC(=O)Cc2cccs2)c(C)c1 21192152 JWQQXEGEWGJBJN-UHFFFAOYSA-N 288.372 2.369 50 40 CEGB CO[C@@H](C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1 567196 BRGWYULLCDWDRY-QAEAHILHSA-N 284.315 2.230 50 40 CEGB COC(=O)N[C@H]1CCCC[C@@H]1I 1708286 YLUSDZORDPJHJE-BQBZGAKWSA-N 283.109 2.089 50 40 CEGB CCOC(=O)NNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 23750772 WADDONFAEOUWTF-VHSXEESVSA-N 254.330 2.002 50 40 CEGB CC(=O)N(/N=C1/C(=O)Nc2ccccc21)c1ccccc1 4837356 NAKGRIPXHJWNSR-UHFFFAOYSA-N 279.299 2.396 50 40 CEGB O=C(NNC(=O)c1ccco1)Nc1ccc(F)cc1F 8763047 LHEFUYMPAAZPGR-UHFFFAOYSA-N 281.218 2.024 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 95919640 HUKAEUUSRSNZRU-SECBINFHSA-N 272.131 2.454 50 40 CEGB O=C(N/N=C/c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 580973 VMARPPPPTKGJKZ-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(N)cc1 525081 ZOIGOYUVQIEDJS-CXUHLZMHSA-N 257.293 2.324 50 40 CEGB COc1cc(NC(=O)[C@@H](C)Cl)cc(OC)c1OC 19478766 JCHCUMMWUNZOCI-SSDOTTSWSA-N 273.716 2.278 50 40 CEGB C[C@H]1CN(c2ncc(C=C(C#N)C#N)s2)C[C@@H](C)O1 13395270 ABQQEGYUXQPGPF-AOOOYVTPSA-N 274.349 2.187 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(C)c(C)c1 6388987 VIUIYIKFXNJSHK-UHFFFAOYSA-N 265.382 2.421 50 40 CEGB CCC(/C=N/NC(=O)[C@@H]1COc2ccccc2O1)CC 5699325 WFGYUFOVBQONMD-FSEGOYHTSA-N 276.336 2.365 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccccc2)c(O)c1 409391845 LUYGBFHUBKBQNU-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB O=C(N/N=C/c1ccc(F)s1)c1ccn(C(F)F)n1 252507438 WLSYOHCHEBLRLZ-LHHJGKSTSA-N 288.254 2.243 50 40 CEGB CN1C(=O)/C(=N/NC(=O)Nc2ccccc2)c2ccccc21 103307366 GLQBVWZNQSBIGN-NBVRZTHBSA-N 294.314 2.189 50 40 CEGB COC(=O)N/N=C/c1cc(C(C)(C)C)ccc1O 6357429 FWVCEAXIYUSXMI-RIYZIHGNSA-N 250.298 2.380 50 40 CEGB CS(=O)(=O)c1ccc(OCCCBr)cc1 34504622 FSRCQASKMSSBIP-UHFFFAOYSA-N 293.182 2.254 50 40 CEGB O=C(CCl)Nc1cnn(CC(F)(F)C(F)(F)F)c1 95094027 ORNOFSQHCAMSJW-UHFFFAOYSA-N 291.607 2.258 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(O)c2)c1 581107 WHWRRMLPPYJEIX-LICLKQGHSA-N 297.314 2.115 50 40 CEGB CCOC(=O)/C(C#N)=C\c1c(OC)cc(OC)cc1OC 5315156 JZFNUPROKIATHC-POHAHGRESA-N 291.303 2.182 50 40 CEGB BrC[C@@H]1CN/C(=N\c2ccccn2)S1 27890 YHAYWMLDGALZBJ-SSDOTTSWSA-N 272.171 2.169 50 40 CEGB CCCCC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl 1555551 FUYMKVDABYLDFR-XPUUQOCRSA-N 276.591 2.412 50 40 CEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1 6646924 SDTUTLILGGSEQY-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1O 13838215 MCFKRQUELFKUCE-MFOYZWKCSA-N 288.278 2.304 50 40 CEGB C/C(=N\NC(=O)c1ccccc1N)c1cccc([N+](=O)[O-])c1 409036600 RWSLVEKWBDCMNZ-LICLKQGHSA-N 298.302 2.331 50 40 CEGB CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2c(C)cccc21 260616126 FNUWPFQYSFHXDJ-GFCCVEGCSA-N 273.380 2.375 50 40 CEGB CC[n+]1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1 333214 QUQDCHWBINANFA-UHFFFAOYSA-O 293.350 2.239 50 40 CEGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 2233166 ZADZPMDXYSNLMR-AHEHSYJASA-N 296.286 2.419 50 40 CEGB CC(=O)Nc1ccc(C(=O)NN=C2CCCC2)cc1 136329 URCGOUWXAONPRC-UHFFFAOYSA-N 259.309 2.305 50 40 CEGB CCn1c(C)cc2c(c1=O)[C@@H](C(C)C)C(C#N)=C(N)O2 2324491 NLUVZJRHZDJFIB-LBPRGKRZSA-N 273.336 2.003 50 40 CEGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 5621209 KCMLIZZFTQVEOM-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB ClC[C@H](CBr)OCCBr 5368799 JFJHNCYCELQWFN-YFKPBYRVSA-N 280.387 2.400 50 40 CEGB CN(C)C(/C=C/Nc1ccc([N+](=O)[O-])cc1)=C(C#N)C#N 100924335 XTRFYDYKJLQSOX-BQYQJAHWSA-N 283.291 2.383 50 40 CEGB CC(C)CCC(=O)NNC(=O)c1c[nH]c2ccccc12 24976397 OHMBHPNSSHTAAA-UHFFFAOYSA-N 273.336 2.365 50 40 CEGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccccc2)c1 59472468 GOAFBWFJVBUHBB-UHFFFAOYSA-N 292.342 2.451 50 40 CEGB CCOC(=O)/C(C#N)=C/C=C/c1ccc([N+](=O)[O-])o1 2319713 ZVJDQGYGPJZVKT-BMVOEDMYSA-N 262.221 2.214 50 40 CEGB C=CCNC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1 3313792 JYSOLFFPAKKFSY-UXBLZVDNSA-N 291.694 2.457 50 40 CEGB CCNC(=O)N(C)NC(=O)CCCCc1ccc(C)cc1 96003149 WEOKPDOVQOJSKC-UHFFFAOYSA-N 291.395 2.400 50 40 CEGB CC1=C(C#N)[C@H]2C(=C(C)N1)C(N)=Nc1ccccc12 31861079 WDPDPVNIDDCTTK-AWEZNQCLSA-N 250.305 2.447 50 40 CEGB COc1ccc(-c2cc(=O)[nH]c(CCl)n2)cc1 72207456 NJSDTKKBHCBQMY-UHFFFAOYSA-N 250.685 2.184 50 40 CEGB O=C(Cl)c1cc(Br)c2n[nH]nc2c1 73633895 GIDGMCHDGAMFGL-UHFFFAOYSA-N 260.478 2.099 50 40 CEGB COc1ccc(NC(=O)[C@@H](C)Cl)cc1N1CCOCC1 34776809 HEEDFMSPZBNPMH-SNVBAGLBSA-N 298.770 2.098 50 40 CEGB BrC[C@@H]1CN=C(N2CCCCC2)S1 321253 XCHOFYVFLBEPLN-MRVPVSSYSA-N 263.204 2.339 50 40 CEGB COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1OC 3506107 FEWUFYFWCNOICT-LDADJPATSA-N 298.342 2.397 50 40 CEGB O=C(Cn1cnc2ccccc21)N/N=C/C=C\c1ccco1 17201336 FSSQDMAPQWPLIY-HYKPSHSXSA-N 294.314 2.445 50 40 CEGB O=C(N/N=C\c1cccc(O)c1)c1ccc(F)cc1 30822015 QMXDEYOPZIELEM-SXGWCWSVSA-N 258.252 2.295 50 40 CEGB Cc1ccc(/C=N\NC(=O)c2ccccc2O)cc1 33297441 USNNCFCLTVHOOK-YBEGLDIGSA-N 254.289 2.465 50 40 CEGB CN1CCN(CCCCCCBr)CC1 145247779 ZTMIBAZEUKQESX-UHFFFAOYSA-N 263.223 2.189 50 40 CEGB COC(=O)c1cc(F)c(C)c(NC(=O)CCl)c1 95095500 FBEZCMNTGUURBH-UHFFFAOYSA-N 259.664 2.098 50 40 CEGB CCOC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 1712999 MJWJQNNNSOEOTB-WWFUZLPXSA-N 263.253 2.340 50 40 CEGB CCO[C@H]1OCC[C@@H](Br)[C@@H]1Br 4409267 RURXZTDHPIFRJF-VQVTYTSYSA-N 287.979 2.296 50 40 CEGB COC(=O)/C(C#N)=C(/Nc1ccccc1)N1CCCC1 104311174 FFKAZYWAFCMPMU-YPKPFQOOSA-N 271.320 2.102 50 40 CEGB COC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 4857269 NDTSJWWUVNEDMG-OVCLIPMQSA-N 288.259 2.335 50 40 CEGB O=C(CCl)N1CCN(C/C=C\c2ccccc2)CC1 31961175 XCTWOKLQZCXYGK-DAXSKMNVSA-N 278.783 2.083 50 40 CEGB COc1ccc(OCC(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cc1 38586249 NGUISIISESAFAS-KPXLXTNDSA-N 286.331 2.142 50 40 CEGB Cc1ccsc1/C=N/NC(=O)[C@@H](O)c1ccccc1 552268 PIEZEXRJQATKRB-NCPSJORJSA-N 274.345 2.240 50 40 CEGB CC(=O)N1C(C)(C)C=C(CSS(C)(=O)=O)C1(C)C 2528465 NHWXBVUAMMVKNN-UHFFFAOYSA-N 291.438 2.025 50 40 CEGB in-vitro CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1O 32116936 UQXHENSFRPMLBM-ZDLGFXPLSA-N 299.330 2.137 50 40 CEGB CC(=O)c1ccc(C[C@H](Br)C(=O)O)cc1 5434468 OTXNYZKECLXPSN-JTQLQIEISA-N 271.110 2.280 50 40 CEGB CCC(=O)NNc1nc2c(OC)cccc2s1 4121321 MHXPGGLJCVREFM-UHFFFAOYSA-N 251.311 2.158 50 40 CEGB COc1ccccc1[C@@H]1CC(=O)NC(SC)=C1C#N 8994424 PBGQXHGQUDXWEV-JTQLQIEISA-N 274.345 2.397 50 40 CEGB COc1cc(NC(=O)CCl)ccc1OC(F)F 2537732 ZFIIOKYXQIOYCP-UHFFFAOYSA-N 265.643 2.474 50 40 CEGB CCOC(=O)NN=C1CCN(Cc2ccccc2)CC1 58632791 RRRQTCVPAYFPQF-UHFFFAOYSA-N 275.352 2.385 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)nc1 100206132 SUDBAAKBBJQASB-SOFGYWHQSA-N 251.673 2.117 50 40 CEGB COc1ccc([C@@H](C)NC(=O)CCl)cc1OC 40433580 KHEFMERSRVETLD-MRVPVSSYSA-N 257.717 2.120 50 40 CEGB Cc1occc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 5823745 MPEQQTIEKHNGTG-UHFFFAOYSA-N 292.722 2.245 50 40 CEGB COc1cc(NC(=O)[C@H](C)Cl)c(C(C)=O)cc1OC 96029384 FQPOFDYLKYUUAD-ZETCQYMHSA-N 285.727 2.472 50 40 CEGB Cc1occc1C(=O)NNC(=O)c1ccccc1Cl 525013 XGTLZEKQASSOBF-UHFFFAOYSA-N 278.695 2.316 50 40 CEGB O=C(N/N=C1/C[C@H]2CC[C@H]1C2)c1cc(O)ccc1O 103657588 LCGLYIYCOPABGX-CSCIFHECSA-N 260.293 2.004 50 40 CEGB O=C(CBr)c1cccc(N2CCCC2=O)c1 9596242 IWIPJGSNWJVQOG-UHFFFAOYSA-N 282.137 2.391 50 40 CEGB Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CCl)c1 82163176 ZIFUKRXYTLSTRZ-UHFFFAOYSA-N 264.716 2.266 50 40 CEGB in-vitro Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1C 12980912 IPGCNUNDRUIABJ-UHFFFAOYSA-N 268.316 2.378 50 40 CEGB CC1=C/C(=N\NC(=O)CSc2nc(C)cc(C)n2)CC1 95949789 HMUPXWQIDPYWJK-ATVHPVEESA-N 290.392 2.398 50 40 CEGB CO[Si](CCCOC(=O)c1ccccc1)(OC)OC 196770232 HYFWOBSAALCFRS-UHFFFAOYSA-N 284.384 2.112 50 40 CEGB Cc1ccc(O[C@H](C)C(=O)N/N=C\c2ccccn2)cc1 5009817 QRTJFNKOXXNQRB-NCUBORBFSA-N 283.331 2.308 50 40 CEGB C/C(CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)=N\NC(N)=O 4266884 BQFQOKZROFZLAI-IMULOMAYSA-N 297.399 2.425 50 40 CEGB O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@@H]1CCCO1 102153805 RLDKKIKEIGXMRU-WSCXANHXSA-N 262.353 2.094 50 40 CEGB COc1ccc(CC(=O)OCCCl)cc1OC 1679652 BEGBYIPEKOZESX-UHFFFAOYSA-N 258.701 2.028 50 40 CEGB N#C/C(=C/c1ccccc1)C(=O)OC[C@@H]1CCCO1 3258129 NYXZLHGZRBJATM-XXYUJHKVSA-N 257.289 2.316 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)CN2CCCCC2)cc1 20247901 ZZEBKVSYACOWSS-GHRIWEEISA-N 289.379 2.021 50 40 CEGB CC(C)(C)OC(=O)N/N=C1\C(=O)Nc2ccc(F)cc21 17008061 GVVMTJJPCFLOQM-UHFFFAOYSA-N 279.271 2.007 50 40 CEGB O=C(Cl)c1ccc(Br)c(-n2cnnc2)c1 70461720 DHWCNKCCEXQGGO-UHFFFAOYSA-N 286.516 2.409 50 40 CEGB O=C(CCl)NC[C@H]1CCCN1Cc1ccccc1 79393653 GQBPELXSJHBWLX-CYBMUJFWSA-N 266.772 2.006 50 40 CEGB O=C(CCNc1ccccc1)NN=C1SCCS1 953093615 XDCVQXMHSWCMKT-UHFFFAOYSA-N 281.406 2.356 50 40 CEGB CCOC(=O)/C(C#N)=C/c1ccccc1OCC#N 6154352 FCQSDAMZRKGCMQ-FMIVXFBMSA-N 256.261 2.059 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1F 3301483 RMOHYYJGSWXUFA-CAOOACKPSA-N 286.262 2.318 50 40 CEGB C=C(C)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 3669477 HEJCRJINNMDJJI-VIFPVBQESA-N 261.350 2.327 50 40 CEGB COC(=O)C/C(C)=N/NC(=O)c1ccc(Cl)cc1 103905826 JXJJXWVALZFXAS-RIYZIHGNSA-N 268.700 2.009 50 40 CEGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)cc1 6187910 GBNOIOQGMAGYGO-GFCCVEGCSA-N 266.304 2.245 50 40 CEGB O=C(CC1CCCC1)NNC(=O)c1ccccc1F 8274741 GIBJVIACFAIWCD-UHFFFAOYSA-N 264.300 2.167 50 40 CEGB O=C1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@@H]1Cl 17188456 FSJFWNXNDUIWQQ-CRCLSJGQSA-N 283.658 2.271 50 40 CEGB CC(C)(C)[Si](C)(C)OCn1cnc2c(N)ncnc21 169794802 PMQLLPDBMCGMBL-UHFFFAOYSA-N 279.420 2.388 50 40 CEGB N#C/C(=C\c1ccncc1)c1nc2ccccc2c(=O)[nH]1 13125333 IBKNNPJKKTYJMF-FMIVXFBMSA-N 274.283 2.382 50 40 CEGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1O 549800 MWZDYGCHIAXNST-OQLLNIDSSA-N 290.344 2.155 50 40 CEGB CC(C)=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 512678 PESLTYDVQJIKFV-UHFFFAOYSA-N 255.661 2.374 50 40 CEGB COCO[C@H](CBr)CCBr 2382379 JABDOEJYSZCRPH-LURJTMIESA-N 275.968 2.155 50 40 CEGB CC(C)NC(=O)/C(C#N)=C/c1ccc(Br)o1 1103077 WMSKSLSKQCJUAA-VMPITWQZSA-N 283.125 2.474 50 40 CEGB C[C@]12CC[C@@H](/C(=N/O)C1=O)[C@@]2(C)CBr 100747112 ZJBLURFKNIAZMR-XQFHBFNFSA-N 260.131 2.217 50 40 CEGB CCCNC(=S)NNC(=O)c1csc(C)c1CC 6934654 CGGWCUVLOCMDIU-UHFFFAOYSA-N 285.438 2.138 50 40 CEGB O=C(NNC(=S)Nc1ccccc1)[C@H]1CC=CCC1 15666078 ODHMQMIOWZGGJD-NSHDSACASA-N 275.377 2.361 50 40 CEGB COc1ccc(OC)c(/C=N\NC(=O)c2ccccc2)c1 33287664 AWLAZZMZRRTIKC-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB CCOc1cc(C(=O)NN)ccc1OCc1ccccc1 216822554 KKGMZDWJSLAWJW-UHFFFAOYSA-N 286.331 2.268 50 40 CEGB CCOC(=O)[C@H](Cc1ccccc1C(=O)OC)SC#N 11690331 WNIPADQQMUINRH-LBPRGKRZSA-N 293.344 2.162 50 40 CEGB NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1 522808 QWQKOQFUSUKFQR-UHFFFAOYSA-N 282.343 2.358 50 40 CEGB CC(C)=NNC(=O)C(=O)Nc1cccc2ccccc12 59515804 DMXDLDYTGPFNPX-UHFFFAOYSA-N 269.304 2.290 50 40 CEGB CCCC(=O)NNC(=O)c1sccc1-n1cccc1 5711317 IPBILXUWWYUOET-UHFFFAOYSA-N 277.349 2.100 50 40 CEGB CCCCOCc1cc(C(=O)NN)ccc1OCC 224723053 TXRBFWYXTABXBB-UHFFFAOYSA-N 266.341 2.006 50 40 CEGB COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 3153387 XUGGCRZRXMCSKW-WOJGMQOQSA-N 283.331 2.257 50 40 CEGB CO[C@@]12CCCC3(OCCO3)[C@@H]1[C@H](Cl)[C@@H]2Cl 5049659 QXASNTBOHVRXSO-JXUBOQSCSA-N 267.152 2.143 50 40 CEGB NCCSSCCCCSSCCN 1696608 IBKWJJMNSWLXST-UHFFFAOYSA-N 272.530 2.447 50 40 CEGB COc1ccc(/C(C)=N/NC(C)=O)cc1Br 7946594 AVXPQRWNBNWOMV-NTUHNPAUSA-N 285.141 2.318 50 40 CEGB CCN(CC)C(=O)C(=O)N/N=C/c1cccc2ccccc12 59515448 DUWWVIIDSQIIFU-LDADJPATSA-N 297.358 2.158 50 40 CEGB N#CC=C1C[C@H]2COC[C@@H](C1)N2Cc1ccccc1 306918973 JHNVPZHYJKJYSW-IYBDPMFKSA-N 254.333 2.500 50 40 CEGB C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CC(=O)O 72207282 CQENDPLRWOGOPD-QRPIXLCVSA-N 275.142 2.230 50 40 CEGB COc1cc(C(=O)NN)ccc1OCc1cccc(F)c1 226319781 HLMLGPOZBWPGFW-UHFFFAOYSA-N 290.294 2.017 50 40 CEGB Cc1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1 40494250 YHVAYPMDSSEYOX-UHFFFAOYSA-N 283.331 2.139 50 40 CEGB CC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 3351142 PCIMLYOBTRWXJV-MKMNVTDBSA-N 280.125 2.400 50 40 CEGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)O)c2C)cc1 408985497 MLDPVBRRZNSNGB-YFEUJDIGSA-N 299.374 2.233 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@H]23)cc1OC 5527277 CKIBDWQTLIMSTQ-PNALVJAUSA-N 286.331 2.386 50 40 CEGB Cc1c(C(=O)NNC(=O)[C@@H]2C[C@H]2C)oc2ccccc12 17448629 LJWZUUYEWWBTSH-LDYMZIIASA-N 272.304 2.158 50 40 CEGB CS(=O)(=O)c1cccc(CI)c1 218309955 WYIJAMAUKPXVKN-UHFFFAOYSA-N 296.129 2.025 50 40 CEGB CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(C)ccc21 223194557 JTSKYCOJVHCFIC-LBPRGKRZSA-N 273.380 2.375 50 40 CEGB COC(=O)c1cc(F)cc([N+](=O)[O-])c1CBr 89157256 QHOSCSXREWAFFC-UHFFFAOYSA-N 292.060 2.415 50 40 CEGB C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 100029900 BLUAFEHZUWYNDE-SWYQAVIISA-N 282.336 2.395 50 40 CEGB COc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1 585363 PLPOFRJIBWEYSZ-LDADJPATSA-N 298.342 2.397 50 40 CEGB CC(=C/c1ccco1)/C=N/NC(=O)c1cc(C)[nH]n1 5926816 YQKCCEZGSMDPKK-UVPTZGENSA-N 258.281 2.130 50 40 CEGB CC(=O)N/N=C(\C)CC(=O)Nc1ccc(C)c(Cl)c1 5342626 VEOCDECLGMUXSN-CXUHLZMHSA-N 281.743 2.489 50 40 CEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1c(C)cccc1C 100927469 CPFXHSSCLGNVQP-ZROIWOOFSA-N 295.342 2.438 50 40 CEGB O=C1C[C@H](C(=O)CBr)C2(CCCCC2)O1 4412785 RNNQRVGPSZTWPN-MRVPVSSYSA-N 275.142 2.216 50 40 CEGB O=C(CCl)N1CCN(C/C=C/c2ccccc2)CC1 19797675 XCTWOKLQZCXYGK-QPJJXVBHSA-N 278.783 2.083 50 40 CEGB CN(CCC#N)c1ccc(/C=C(\C#N)C(N)=S)cc1 72333659 XITWTNQJTAGWQM-FMIVXFBMSA-N 270.361 2.230 50 40 CEGB N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(N)=O 17699925 LSUQXGSYHGJAHH-WEVVVXLNSA-N 273.292 2.341 50 40 CEGB C/C(=N\NC(=O)C1CC1)c1ccc2c(c1)OCCCO2 58650165 CSGMAIRTASQKAQ-MHWRWJLKSA-N 274.320 2.098 50 40 CEGB COc1cc(CNCCCl)cc(OC)c1OC 1668045 NMGODYLBOADCNK-UHFFFAOYSA-N 259.733 2.041 50 40 CEGB O=C(NCCBr)Nc1ccc(F)cc1 2570345 UNQLYVYTVKPOKI-UHFFFAOYSA-N 261.094 2.342 50 40 CEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2CC2)c1 142692 OVWCUQLYAISMSE-UHFFFAOYSA-N 290.363 2.055 50 40 CEGB O=C(NNC(=O)C1CCCCC1)Nc1ccccc1 512391 KHUNNBUNMFHSMZ-UHFFFAOYSA-N 261.325 2.420 50 40 CEGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccsc1 22634183 HOFXIHWOOMYOLE-UHFFFAOYSA-N 292.385 2.373 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1ccccc1F 12541617 GLZVOSJESDMOIG-LICLKQGHSA-N 257.268 2.375 50 40 CEGB O=C1OC(=O)[C@@H]2N=NC(c3ccccc3)(c3ccccc3)[C@@H]12 104061669 DNKBRMSPMXPAHC-ZIAGYGMSSA-N 292.294 2.464 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1cc(F)ccc1O 5163255 SXEHOXBZYUOVFE-RQZCQDPDSA-N 273.267 2.080 50 40 CEGB Br[C@H]1C[C@@H]2O[C@@H]2C[C@H]1Br 4656280 UPEVUGACLNEWPQ-FBXFSONDSA-N 255.937 2.075 50 40 CEGB NNC(=O)c1cccc(OCc2nc3ccccc3o2)c1 78401065 KXRQPQPDLMEDPQ-UHFFFAOYSA-N 283.287 2.010 50 40 CEGB CC(=O)N[C@@H]1CCOc2c(C(=O)CCl)cc(C)cc21 41195244 UFFUUPHPWXVEKB-GFCCVEGCSA-N 281.739 2.376 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccco1 85408874 GYLZMEMUWZEOCQ-ZDUSSCGKSA-N 254.245 2.203 50 40 CEGB O=C(/C=N/NC(=O)c1ccccc1)c1ccccc1 59652 TWPIOAJKBHTHOG-LFIBNONCSA-N 252.273 2.285 50 40 CEGB O=C1CCC/C(=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 103458038 OTTQZZGTEJUUFS-ATVHPVEESA-N 296.330 2.306 50 40 CEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 104286465 MBOCWUFISKKKSD-ARMQCYDYSA-N 254.285 2.011 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(O)c(O)c2)n1 409381357 GKEUEQTVTDNLGV-WUXMJOGZSA-N 283.287 2.159 50 40 CEGB O=C(CCBr)N1Cc2ccccc2C1 72207536 KIVBOBIYBIPUCI-UHFFFAOYSA-N 254.127 2.314 50 40 CEGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccco1)OCO3 85408846 JFTDWGACFYJDHJ-CQSZACIVSA-N 282.255 2.226 50 40 CEGB N#C/C(=C\c1ccc(Br)o1)C(N)=S 256467 IDIFKESFDKLWHK-HWKANZROSA-N 257.112 2.235 50 40 CEGB CSCCC(=O)NNC(=O)c1cc2c(s1)CCCC2 23055153 FFDKRFINMXOFBK-UHFFFAOYSA-N 298.433 2.141 50 40 CEGB C=CCNC(SCc1ccncc1)=C(C#N)C#N 6361731 FMQUQDBSOVAHLY-UHFFFAOYSA-N 256.334 2.349 50 40 CEGB CCc1ccccc1Nc1nc(N)nc(CCl)n1 3278407 KMWKAMTWYKHTPE-UHFFFAOYSA-N 263.732 2.499 50 40 CEGB O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccoc1 27264502 MANMBZOOSCHBNI-UHFFFAOYSA-N 297.270 2.009 50 40 CEGB O=C(N/N=C/C=C/c1ccco1)c1cc(O)cc(O)c1 2754133 MIYMKIBKZZXGIO-FFBKCXOWSA-N 272.260 2.120 50 40 CEGB CCOC(=O)N/N=C1/C(O)=Nc2c(C)cc(C)cc21 6561485 JYRNZYVLSPZJQA-UHFFFAOYSA-N 261.281 2.355 50 40 CEGB C/C(=N\NC(=O)COc1cccc(C)c1)c1cccnc1 5120015 OYAMCKONLJBHAV-QGOAFFKASA-N 283.331 2.309 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2c(C)nn(C)c2Cl)cc1 160024 FGLPMJYIVDOKGO-LZYBPNLTSA-N 290.754 2.454 50 40 CEGB CC(=O)N[C@H]1CCOc2ccc(C(=O)[C@@H](C)Cl)cc21 41195238 BOUIKHWJPXBWGT-PELKAZGASA-N 281.739 2.456 50 40 CEGB COC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1 3184958 ROHBYTODNLYJAW-WEVVVXLNSA-N 253.204 2.368 50 40 CEGB O=C1[C@@H]2C[C@H]3C[C@@H]1C[C@@H](C3)[C@@H]2I 104200165 PLSIVLGZSAHBHL-OKNNCHMLSA-N 276.117 2.425 50 40 CEGB CCc1cccc(C)c1N1C(=O)C[C@@H](Cl)C1=O 2178946 MUWBJFUXVDIOSY-SNVBAGLBSA-N 251.713 2.428 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cc(O)ccc2O)cc1 13321385 MYPAKKRURGXBFW-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB Cn1cccc1[C@@]1(C#N)C(C#N)=C(N)c2c(F)cccc21 4002563 WRGNILBISGIWBE-MRXNPFEDSA-N 278.290 2.181 50 40 CEGB C[C@@H](Cl)C(=O)NCCc1c[nH]c2ccccc12 13609344 FUGAXVJSGRGEBU-SECBINFHSA-N 250.729 2.454 50 40 CEGB CCOc1ccccc1OCC(=O)N/N=C/c1cccnc1 5451443 RWISNCGCKAOEFE-WOJGMQOQSA-N 299.330 2.009 50 40 CEGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1O 498297 WQKNVAUIGALBIR-LICLKQGHSA-N 284.315 2.473 50 40 CEGB C=CCOc1ccc(Br)cc1/C=N/NC(N)=O 5377440 CUMJCUASUWKGNF-VGOFMYFVSA-N 298.140 2.016 50 40 CEGB Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)NN)c1 128359 BURIRBNHVPFUOL-UHFFFAOYSA-N 286.379 2.141 50 40 CEGB NNC(=O)CCc1ccc(OCc2ccccc2)cc1 164144844 QBJBEFKZYKJOIO-UHFFFAOYSA-N 270.332 2.188 50 40 CEGB C[C@@H](Sc1ncccn1)C(=O)NN=C1CCCCC1 71444 LGILKUNYVDLRCE-SNVBAGLBSA-N 278.381 2.394 50 40 CEGB C=CCc1cccc(/C=N/NC(=O)c2cccnc2)c1O 381415 LIMCPMPMSUKRFU-WOJGMQOQSA-N 281.315 2.280 50 40 CEGB CC[C@@H](C)[C@@H](N)C(=O)N/N=C/c1cccc2cccnc12 5072265 KCBKLIPXMIQYBE-YYAHZFJJSA-N 284.363 2.058 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccccc1OC(C)C 223711219 XGZPGWKMVMIUEW-UHFFFAOYSA-N 287.363 2.485 50 40 CEGB NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 226338948 YTGAOIBSWRTGBU-MDZDMXLPSA-N 268.316 2.269 50 40 CEGB NNC(=O)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 5740825 ZCYRHCORZYVKPU-UHFFFAOYSA-N 287.750 2.464 50 40 CEGB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)CCl)C1 202161935 OHZUZWMGNXKYCU-VIFPVBQESA-N 261.749 2.441 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 175743 KMCOJWIBPKYAJM-CXUHLZMHSA-N 298.258 2.219 50 40 CEGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccco1 59516176 FPJGXULZWQSPCV-NTUHNPAUSA-N 274.305 2.061 50 40 CEGB CCOc1cc(/C=C(/C#N)S(C)(=O)=O)ccc1OC 96021457 QETLQSCKSAOJEA-XFFZJAGNSA-N 281.333 2.003 50 40 CEGB COc1cc(NC(=O)[C@H](C)Br)cc(OC)c1 32919978 DZFWFLKOLJXJBD-ZETCQYMHSA-N 288.141 2.426 50 40 CEGB O=S(=O)(O)c1cccc(F)c1CCBr 199753367 RFJODRJBSWUIQY-UHFFFAOYSA-N 283.118 2.010 50 40 CEGB CC(C)n1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253408586 YFXLSMDFPHGHNT-CQSZACIVSA-N 298.346 2.279 50 40 CEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccccc1 5946426 XOAJVEMKXPPBQT-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB CCC[C@H](Br)[C@@H](Br)C(=O)O 1699450 FGZJHRRUZOQKDJ-CRCLSJGQSA-N 273.952 2.398 50 40 CEGB CCN(NC(=O)c1cc(C)no1)c1ccc(C)cc1 24480139 HXCAMMJDVCTPND-UHFFFAOYSA-N 259.309 2.463 50 40 CEGB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cl 3281075 SDQJJVRTODMCSU-ZCFIWIBFSA-N 258.661 2.169 50 40 CEGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 14250191 VJGVDBXQDVZXHC-YWVKMMECSA-N 292.404 2.290 50 40 CEGB O=C(CCN1CCCC1)N/N=C/c1c[nH]c2ccccc12 18191653 AVKAZEDFPJUYPY-LDADJPATSA-N 284.363 2.104 50 40 CEGB CN(C)[C@H]1CCCC[C@H]1N(C(=O)CCl)C1CC1 79406773 RNUXERCARNWTTA-NWDGAFQWSA-N 258.793 2.089 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1O 206298300 LKKATPAJRYFSCZ-NTUHNPAUSA-N 297.314 2.462 50 40 CEGB N#C/C(=C\c1ccc(N(CCl)CCl)cc1)C(N)=O 5338074 YFKXQTWBESAJQR-BJMVGYQFSA-N 284.146 2.278 50 40 CEGB N#CC1=C(N)Oc2ccc(O)cc2[C@H]1c1cccnc1 43705 LGVWEJJLSOXGAM-CQSZACIVSA-N 265.272 2.005 50 40 CEGB COc1ccccc1/C=C(\C#N)C(=O)N1CCCC1 6898326 LFBUVXNTBLQUOR-JLHYYAGUSA-N 256.305 2.225 50 40 CEGB C/C(=N\NC(=O)c1ccccn1)c1ccc2c(c1)OCCO2 6512849 LQORDCGZTHNMMD-WOJGMQOQSA-N 297.314 2.007 50 40 CEGB CN(C)C(=O)/C(C#N)=C/c1ccc(Br)o1 5668099 BTKUSXIUKUVHPY-FNORWQNLSA-N 269.098 2.037 50 40 CEGB C/C(=N/NC(=O)c1ccccc1)c1ccc(N)cc1 13304431 XZCQIXOKVNCVLO-BOPFTXTBSA-N 253.305 2.423 50 40 CEGB Cn1cccc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 43261 SNDVFNVMAHBHSO-GZTJUZNOSA-N 293.330 2.179 50 40 CEGB N#CC1=C(N)OC(C2CC2)=C(C#N)[C@H]1c1ccco1 165611 IJQHHAMAXRDDSQ-GFCCVEGCSA-N 253.261 2.275 50 40 CEGB CCSC1=C(C#N)[C@@H](c2cccc(O)c2)CC(=O)N1 278379 GCZJRQIQHWPCNO-LLVKDONJSA-N 274.345 2.484 50 40 CEGB C=CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1 59333894 CXBFRGQPLUNWPT-RAXLEYEMSA-N 256.305 2.247 50 40 CEGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1 59515479 BJQBHJBWRPDWEL-LICLKQGHSA-N 289.379 2.175 50 40 CEGB O=C(Cc1ccccc1)NNc1ccc([N+](=O)[O-])cc1 4673002 ZQGKVLYGZYCECF-UHFFFAOYSA-N 271.276 2.281 50 40 CEGB N#C[C@H](C(=O)N/N=C/c1cccc(O)c1)c1ccccc1 409202504 TWRLOKVJAHQTKB-LZNAANCOSA-N 279.299 2.150 50 40 CEGB CSc1ncc(/C=C/C(=O)NNc2ccccc2)cn1 408528358 DVHWAYYKNTVCQC-BQYQJAHWSA-N 286.360 2.355 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1ccccc1[N+](=O)[O-] 33297344 OWSQTBWRJQEWHU-YBEGLDIGSA-N 299.286 2.124 50 40 CEGB CCN(CC)[P@@](=O)(C#N)OCCBr 5807676 WPOBNJPCVZDYEX-CYBMUJFWSA-N 269.079 2.414 50 40 CEGB Oc1ccc(O)c(CN(CCCl)CCCl)c1 1675791 YSKJZQHPVCHXAH-UHFFFAOYSA-N 264.152 2.377 50 40 CEGB COc1ccc([C@H]2OC[C@H](CCl)O2)cc1OC 1677017 IAXHXUHAQJAMQG-CABZTGNLSA-N 258.701 2.357 50 40 CEGB CC(C)=NNC(=O)c1ccn(COc2ccccc2F)n1 6317797 JPSNJFXIVXORFH-UHFFFAOYSA-N 290.298 2.184 50 40 CEGB CCOC(=O)NNC(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 45070981 DVWYAQGOINMJHN-BFVZDQMLSA-N 283.372 2.162 50 40 CEGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)c1ccccc1O 13151916 HTZKKYNNKBGMRZ-FFCYNSPCSA-N 292.335 2.087 50 40 CEGB N#CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1735444 GGZWKNIMUFJINN-LHHJGKSTSA-N 272.091 2.063 50 40 CEGB BrC[C@H]1CN/C(=N\c2ccccn2)S1 27891 YHAYWMLDGALZBJ-ZETCQYMHSA-N 272.171 2.169 50 40 CEGB NC(=O)N/N=C/c1ccc(Sc2ccccc2)o1 566213 DPMBWTZNBIFSKF-RIYZIHGNSA-N 261.306 2.433 50 40 CEGB COc1ccc(C(=O)NN/C=C/C(=O)c2ccccc2)cc1 101673812 ASPLVXBELCFZKB-VAWYXSNFSA-N 296.326 2.326 50 40 CEGB CN(C)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)N(C)C 199875151 WQSMEEBKSDOFEQ-UHFFFAOYSA-N 294.620 2.248 50 40 CEGB CC(C)(C)OC(=O)N1C[C@H]2C(Br)[C@@H]2C1 704724766 DJOQQTFAEPYOSQ-RNFRBKRXSA-N 262.147 2.247 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1 64389 RAOZYDUHKYMJTL-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB CSC1=NC=C(C#N)C2=N[C@H](c3cccs3)NN12 1590852 LAVWIPWPVXSYGR-VIFPVBQESA-N 275.362 2.105 50 40 CEGB O=C(CCl)N[C@@H]1CCCN(Cc2ccccc2)C1 79393661 JBBCJUQSPWNPKL-CYBMUJFWSA-N 266.772 2.006 50 40 CEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc(C)c1 100927499 CQQDIPJKTFPAQI-ZROIWOOFSA-N 281.315 2.130 50 40 CEGB Cc1ccoc1/C=C(\C#N)C(=O)NCc1ccco1 98013720 QGPKWKYUJIZMNI-YRNVUSSQSA-N 256.261 2.404 50 40 CEGB CCOc1cc(/C=C/C(=O)NN)ccc1O[C@H](C)CC 216884125 NYWFFSVQMKXQGM-MXMFLMJRSA-N 278.352 2.266 50 40 CEGB O=S1(=O)CC[C@H](Br)c2ccccc21 1592178 ZHYCHVKKGAAZFS-QMMMGPOBSA-N 261.140 2.300 50 40 CEGB CCOC(=O)NNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 23750765 WADDONFAEOUWTF-NXEZZACHSA-N 254.330 2.002 50 40 CEGB CC[N+](C)(C)NC(=O)C(O)(c1ccccc1)c1ccccc1 4843890 XRMJPLBILDKHHR-UHFFFAOYSA-O 299.394 2.050 50 40 CEGB NNC(=O)CCn1c(Cc2ccccc2)nc2ccccc21 40173529 ZMLRVLVGTYWMEI-UHFFFAOYSA-N 294.358 2.007 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccccn1 2160341 JUPBOTGHWZDKSM-WOJGMQOQSA-N 265.316 2.334 50 40 CEGB CC(=O)N[C@H]1CCCCC[C@H]1I 5049148 LCDLRTZJFWIBNP-BDAKNGLRSA-N 281.137 2.259 50 40 CEGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 175536 JMUGDKFQZJFXKE-ZROIWOOFSA-N 273.248 2.342 50 40 CEGB COc1ccnc(NNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)n1 46364507 UFALGLNODKUCAW-PWSUYJOCSA-N 290.367 2.167 50 40 CEGB COc1ccc(O)c(/C=N\NC(=O)c2cccc(C)c2)c1 408957318 UDFCSLWIBLDIRX-YVLHZVERSA-N 284.315 2.473 50 40 CEGB O=C(CCl)N(Cc1ccc2c(c1)OCCO2)C1CC1 32128082 KXEXAZXQDPIIBT-UHFFFAOYSA-N 281.739 2.188 50 40 CEGB CC(=O)Oc1ccc(/C=C/C(=O)Cl)cc1OC(C)=O 36469369 YXWAVXQOQBBLQZ-GQCTYLIASA-N 282.679 2.316 50 40 CEGB in-vitro Cc1cccc(C(=O)NNC(=O)CCc2ccccc2)c1 226897 SDEICCZDFGPTCX-UHFFFAOYSA-N 282.343 2.389 50 40 CEGB N#CC(C#N)=Cc1ccc(I)o1 9259927 AQGJARUOVSMNDW-UHFFFAOYSA-N 270.029 2.315 50 40 CEGB CCN(NC(=O)c1cnc(C)cn1)c1ccc(C)cc1 23790458 LNJREGVJUPIVOC-UHFFFAOYSA-N 270.336 2.265 50 40 CEGB CC(C)C(=O)NNC(=O)CCc1nc2ccccc2s1 6510267 CJHFBPYAOYSLEE-UHFFFAOYSA-N 291.376 2.032 50 40 CEGB C[C@@H](Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 35222635 MBSXVKJHRIBPIO-RKDXNWHRSA-N 269.728 2.262 50 40 CEGB in-vitro N#C/C1=C(/C#N)CC[C@@]2(C#N)[C@@H]3C=C[C@H](O3)[C@@]2(C#N)CC1 104042209 LRINLJPBDITLDH-JOEXPUNNSA-N 276.299 2.261 50 40 CEGB Cc1cc(C(=O)NNC(=O)[C@H]2CC=CCC2)c(C)o1 12808555 JAURDDABSWWMBF-NSHDSACASA-N 262.309 2.014 50 40 CEGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(N)cc1 5382080 JVTIRKDXRLKAJR-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB C=CCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 65562325 IRWVJAQORSMHOK-QINSGFPZSA-N 298.342 2.159 50 40 CEGB COc1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 3555162 BWGLOUBFNIALGK-UHFFFAOYSA-N 284.315 2.078 50 40 CEGB C[C@H]1CCCC/C1=N/NC(=O)c1ccc(O)cc1O 102364361 POBGRGCPLLNADS-YHMWOKNVSA-N 262.309 2.394 50 40 CEGB C[C@@H]1C=NC(=O)N(CCCCCBr)C1=O 102435967 CBKISILGKSJODV-MRVPVSSYSA-N 275.146 2.221 50 40 CEGB CC1=C[C@@]2(Nc3cccc(C)c3O2)C(C#N)=C(N)O1 40545198 XOLJEISLDWJTLM-AWEZNQCLSA-N 255.277 2.124 50 40 CEGB CCOc1ccccc1-n1c(C)cc(C(=O)NN)c1C 223710648 JHOOOUATKITYGB-UHFFFAOYSA-N 273.336 2.096 50 40 CEGB CC1=C(C#N)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N1 14165613 YBBCSXXACGVOAT-CYBMUJFWSA-N 283.331 2.176 50 40 CEGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(C(C)C)cc1 59515300 MPPIYLRXRJBNBT-LICLKQGHSA-N 289.379 2.175 50 40 CEGB Cc1ccc(CC(=O)NNC(=O)c2ccccc2C)cc1 6840905 NCZAHQLWNNFUSO-UHFFFAOYSA-N 282.343 2.307 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccco2)c(F)c1 558942 PJUOQHBCCAXIIY-LZYBPNLTSA-N 257.224 2.054 50 40 CEGB CCC(CC)=NNC(=O)COc1ccc(C#N)cc1 5164427 FEACONFIRVCVSH-UHFFFAOYSA-N 259.309 2.229 50 40 CEGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(N)=O)o1 21269789 AEJVDVOIFZEVCQ-CSKARUKUSA-N 296.282 2.125 50 40 CEGB CCC(=O)NNC(=S)Nc1cc(C)cc(C)c1 6388661 XCCGFHGTRZAARL-UHFFFAOYSA-N 251.355 2.031 50 40 CEGB CC[C@@H](C)/C(C)=N/NC(=O)COc1ccc(C#N)cc1 5560724 YVZUEKDIZDHWDU-ZWLCBZGVSA-N 273.336 2.475 50 40 CEGB Cc1ccc(C(=O)NNC(=O)C2CCCC2)c(C)c1 8142597 PLQZLHXTEIAVRU-UHFFFAOYSA-N 260.337 2.255 50 40 CEGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1cccnc1)C(O)=N2 18265205 QBWUALWQHUGITA-UHFFFAOYSA-N 294.314 2.434 50 40 CEGB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1 49274776 NNBKEBXBDFWJPW-UVTDQMKNSA-N 268.316 2.130 50 40 CEGB CCn1ncc(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398331 GZEQNSPYNMNQJG-ZDUSSCGKSA-N 298.346 2.026 50 40 CEGB CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2cc(C)ccc21 260616382 JTSKYCOJVHCFIC-GFCCVEGCSA-N 273.380 2.375 50 40 CEGB C[C@]12[C@@H](Br)[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C(=O)[C@H]42 169795871 DYJXAYHLFCEUAR-XSVHTHETSA-N 253.139 2.097 50 40 CEGB COc1ccccc1C1(CBr)OCCO1 1718185 XCLLPJSXFBJCSX-UHFFFAOYSA-N 273.126 2.290 50 40 CEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CC=CC3 104286469 MBOCWUFISKKKSD-GRUDOPTHSA-N 254.285 2.011 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 100580229 KRWVMPMOIJUORO-JTNHKYCSSA-N 276.380 2.316 50 40 CEGB CCn1c(=O)n(CC)c2cc(NC(=O)CCl)ccc21 4502691 KCZVTJRMDBWKPO-UHFFFAOYSA-N 281.743 2.020 50 40 CEGB COC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1 5728237 OHVULQYMENXARB-XFFZJAGNSA-N 253.261 2.157 50 40 CEGB Cc1cccc(C)c1OC[C@@H](O)CBr 96511408 AVIPXKTXUDBLFU-JTQLQIEISA-N 259.143 2.438 50 40 CEGB COc1cccc(C(=O)N/N=C/c2ccc(C#N)cc2)c1 16227970 FLBUJFQSMWNXIE-WOJGMQOQSA-N 279.299 2.331 50 40 CEGB O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccco1 10441699 AFIZPYYEXSPTBW-VMPITWQZSA-N 290.706 2.407 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 381300 NMILENCTSNQFSZ-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB CC(C)(C)OC(=O)NNC(=O)NC1CCCCC1 1839074 ZMYOGIDYTWNAHU-UHFFFAOYSA-N 257.334 2.058 50 40 CEGB C/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccccc1 13618984 NVUOGKZZZWYOSH-BOPFTXTBSA-N 284.363 2.500 50 40 CEGB C=C1CC(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)C1 408718161 NIKSHOVTDLOLEB-RIYZIHGNSA-N 259.265 2.011 50 40 CEGB C=CCNC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1 5830524 PQZWBKDISXGEMG-ZROIWOOFSA-N 266.300 2.215 50 40 CEGB CN1CCC(N(C)C(=O)/C(C#N)=C\c2ccccc2)CC1 6343694 WKLSGGJLTMVZSP-QINSGFPZSA-N 283.375 2.146 50 40 CEGB O=[N+]([O-])/C=C/P(=O)(OCCCl)OCCCl 1903117 SHAMAGRSWYNYHN-ZZXKWVIFSA-N 278.028 2.438 50 40 CEGB COc1ccc(CC(=O)NN=C(CCl)CCl)cc1 100244279 UOYKXTVCUNFABU-UHFFFAOYSA-N 289.162 2.188 50 40 CEGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc[nH]1 9448092 TVOYZOUDHAPGHP-UHFFFAOYSA-N 279.299 2.243 50 40 CEGB C/C(=N\NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccnc1 15934357 FALUAVPRHGXEEA-GZTJUZNOSA-N 298.302 2.073 50 40 CEGB CC(C)(C)c1ccc(C2=C(C#N)[C@@H](N)n3ncnc3N2)cc1 226760818 NZTPMNCBLXWCKS-AWEZNQCLSA-N 294.362 2.393 50 40 CEGB COc1ccc(Cl)cc1-c1ccc(C(=O)NN)o1 226300521 BUUKJMJVAOUPEU-UHFFFAOYSA-N 266.684 2.212 50 40 CEGB O=C(NNC(=O)N1CCc2ccccc2C1)c1ccccc1 32795414 XXLOUBUIBQSQSU-UHFFFAOYSA-N 295.342 2.099 50 40 CEGB O=C(NNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1 54837 NFXYMMRMGUPBDC-UHFFFAOYSA-N 290.706 2.120 50 40 CEGB CCOc1ccc(C(=O)NNC(=O)c2ccsc2)cc1 12736001 FQAUXTCSYZCUDP-UHFFFAOYSA-N 290.344 2.222 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2)c(C)c1 5273407 HVJPNLUZCQONFR-UHFFFAOYSA-N 268.316 2.378 50 40 CEGB CC1=C(C#N)C(=O)N=C(O)/C1=C/c1ccc(N(C)C)cc1 5949883 BKYXKLIFBOXMGW-MDWZMJQESA-N 281.315 2.473 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1ccc(F)c(F)c1F 7697496 JISHJNKMEZITCN-SREVYHEPSA-N 270.210 2.486 50 40 CEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCC#N 408801739 VMFYUKXSTCMSMA-LQELWAHVSA-N 283.331 2.411 50 40 CEGB Cn1ccnc1[C@@H](NC(=O)CCl)c1ccc(F)cc1 9915584 JNPGKFXKBOTREE-LBPRGKRZSA-N 281.718 2.004 50 40 CEGB C/C(=N\NC(=O)c1cccn1C)c1ccccc1[N+](=O)[O-] 61466036 ZRVVUAWLLOHASI-XNTDXEJSSA-N 286.291 2.087 50 40 CEGB COC(=O)[C@@H](Br)c1cccc(OC)c1 5640588 YWMCHHGKDMGQPQ-VIFPVBQESA-N 259.099 2.304 50 40 CEGB C=C1[C@]2(C(N)=O)CC[C@@H](C2)[C@@]1(C)CBr 4042089 XNFCJDUDXXIGMC-LSJOCFKGSA-N 258.159 2.229 50 40 CEGB CC(C)C[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C 100095001 MUCAXGMWHPXEAW-QMMMGPOBSA-N 257.286 2.315 50 40 CEGB COCCCNC(=O)/C(C#N)=C\C=C\c1ccccc1 16185212 FFKBYWRRXAQZIA-LFKWHJGZSA-N 270.332 2.302 50 40 CEGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(N)=O 408818786 YXYWEYCBCAGQOJ-WEVVVXLNSA-N 250.685 2.131 50 40 CEGB N#C/C(=C1/CCCCN1)S(=O)(=O)c1cc(F)ccc1F 98212080 IHJIBZHUXJQGDC-ACCUITESSA-N 298.314 2.247 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(O)cc2)c1 253985 UEWRGEWWMONVMD-LICLKQGHSA-N 297.314 2.115 50 40 CEGB Cc1cc(N(C)NC(=O)CC(C)C)nc(Cl)c1C#N 12446164 OYOSMNNUESFABZ-UHFFFAOYSA-N 280.759 2.429 50 40 CEGB BrCCCNCCCBr 1695701 PLLSYACGYYTSRI-UHFFFAOYSA-N 258.985 2.146 50 40 CEGB C=CCOC(=O)/C(C#N)=C/c1n[nH]nc1-c1ccccc1 96034923 QWRHZPJNAHNTMD-FMIVXFBMSA-N 280.287 2.108 50 40 CEGB O=C(NNC(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1 7609322 RTRBEGBEUXFNMP-UHFFFAOYSA-N 294.232 2.179 50 40 CEGB COc1c(C(=O)NN)cc2ccccc2c1Br 45923287 XXICJKODBVGJLF-UHFFFAOYSA-N 295.136 2.214 50 40 CEGB COc1ccccc1/C=N/NC(=O)CN(C)c1ccccc1 59790 GXCYIODZXVQFGX-LDADJPATSA-N 297.358 2.282 50 40 CEGB C[C@H]1CCCC/C1=N\NC(=O)Cn1nc2ccccc2n1 368646 WDCRKCXPLOQJEF-NRMVZKHRSA-N 285.351 2.114 50 40 CEGB CCc1cc(C(=O)NNc2nccc(OC)n2)sc1C 46363834 IGEJYHJJWQQOCK-UHFFFAOYSA-N 292.364 2.174 50 40 CEGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccccc1 409359947 COTMAUTZXRGUOU-LDADJPATSA-N 296.326 2.151 50 40 CEGB NNC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1 226235486 CZYYSQQGSQJTNG-UHFFFAOYSA-N 286.722 2.487 50 40 CEGB O=C(N/N=C\c1ccccc1Cl)c1ccncc1 13154292 BHNPCKGCEVFCOP-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB O=NN(CCCl)C(=O)/N=N/C(=O)N(CCCl)N=O 5495986 AEHXHTVLDOQEEI-MDZDMXLPSA-N 299.074 2.123 50 40 CEGB COC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6007858 MPMVBCFQUHBEAU-TWGQIWQCSA-N 253.204 2.368 50 40 CEGB COc1ccccc1C(=O)NNC(=O)c1cccc(C)c1 290217 SIZQWZQIWYVFAE-UHFFFAOYSA-N 284.315 2.078 50 40 CEGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N(C)C)c(O)c1 59333508 BCUONOAXDVLVRP-LCYFTJDESA-N 287.363 2.234 50 40 CEGB CCCC(=O)NNC(=S)Nc1cc(C)ccc1OC 6388967 PBTZFNMESHLHDY-UHFFFAOYSA-N 281.381 2.121 50 40 CEGB O=C(NCc1ccccc1)c1nnc(CCl)s1 7779453 MMJOGMFEHYNOHX-UHFFFAOYSA-N 267.741 2.207 50 40 CEGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)N(C)C)c1O 408852622 UZKOTJIIMQVGAH-WTKPLQERSA-N 280.711 2.049 50 40 CEGB Cc1cccc(/C=N\NC(=O)c2sc(N)nc2C)c1 31854425 LMHGURZCKQDPPR-CHHVJCJISA-N 274.349 2.106 50 40 CEGB COc1ccc(C#CCBr)cc1OC 95631937 SCFNAEJSVWLJRQ-UHFFFAOYSA-N 255.111 2.450 50 40 CEGB Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCCC2)c1 13922854 HQAWBNQYSLQJFY-UHFFFAOYSA-N 273.336 2.288 50 40 CEGB CCCCCCNC(=S)NNC(=O)c1ccccc1 6050875 LDCLOXDJZZTEDT-UHFFFAOYSA-N 279.409 2.376 50 40 CEGB CCCCOc1ccc(/C=N/NC(=O)CC#N)cc1 1950440 LXXXEGYNPPMWEU-LFIBNONCSA-N 259.309 2.229 50 40 CEGB NC(=O)N/N=C/c1ccccc1OCCOc1ccccc1 4196530 UOMLPNBKEXNCSI-LDADJPATSA-N 299.330 2.147 50 40 CEGB O=C(NNC(=O)c1ccc2c(c1)CCCC2)c1cccnc1 14187648 LASSJDFJVUWPCX-UHFFFAOYSA-N 295.342 2.035 50 40 CEGB CC[C@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1 75213626 HGTROHKIJPHMEP-TXSGFDOJSA-N 276.336 2.100 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N(C)C 409002574 VEOVMTFSWQKJGY-YRNVUSSQSA-N 289.291 2.131 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(O)ccc2O)n1 408979500 RDXHEFNWZUWXFQ-WUXMJOGZSA-N 283.287 2.159 50 40 CEGB CC1(C)CC(=O)[C@@H]2C(CCBr)=NN[C@@H]2C1 228924241 KAMLPGGPUQBRKW-PSASIEDQSA-N 273.174 2.105 50 40 CEGB O=C(N/N=C/c1ccc(Br)cc1)C1CC1 70443 KFPHZICFUATLRD-NTUHNPAUSA-N 267.126 2.309 50 40 CEGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1O 48571 PNQAGZOQLDBNQC-VCHYOVAHSA-N 295.298 2.036 50 40 CEGB O=C(Nc1nnc([C@@H]2CCCO2)s1)C(Cl)Cl 150309 UJIZCCSCNGOLHR-BYPYZUCNSA-N 282.152 2.132 50 40 CEGB CCCCC(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl 1555550 FUYMKVDABYLDFR-POYBYMJQSA-N 276.591 2.412 50 40 CEGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccco1 5070987 ZVXWDNOHYDRNJS-LICLKQGHSA-N 282.303 2.390 50 40 CEGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(O)cc1 409382802 RBYLEOZBPOBESF-LDADJPATSA-N 289.379 2.155 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccccc1[N+](=O)[O-] 33303678 GVQASWDBENWUKD-WJDWOHSUSA-N 283.287 2.288 50 40 CEGB CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC 5247260 KUKKHMJNESLRLK-FLIBITNWSA-N 291.303 2.182 50 40 CEGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccn1 5605168 NGRLUNKFMAMXMY-RQZCQDPDSA-N 289.722 2.264 50 40 CEGB COc1cc(C(=O)NN)ccc1OCc1ccccc1F 226306151 ATIWSFZWTRTUQF-UHFFFAOYSA-N 290.294 2.017 50 40 CEGB O=C(COc1cccc(F)c1)N/N=C1\C=C(O)CCC1 101746060 XVEWCXJXCLMYPM-WJDWOHSUSA-N 278.283 2.303 50 40 CEGB CC(=O)Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 59399005 JBRXFEIYABPEOP-LDADJPATSA-N 296.326 2.305 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2)c(F)c1 408967311 PWMVMNAJIJNLJK-VCHYOVAHSA-N 267.263 2.461 50 40 CEGB C/C(=N/NC(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1 4763395 ISGHIZSBNIJYED-YBEGLDIGSA-N 299.286 2.454 50 40 CEGB CCOC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 4389474 ZCLBTRQXAOQDSN-XYOKQWHBSA-N 251.242 2.065 50 40 CEGB CC(C)(C)OC(=O)N1CC(OCCCBr)C1 66309202 XYRRZACCGWDLGZ-UHFFFAOYSA-N 294.189 2.407 50 40 CEGB COC(=O)c1cc(C(=O)Cl)n(CCC(F)(F)F)n1 408717643 LQMJUMPLZBHPSF-UHFFFAOYSA-N 284.621 2.001 50 40 CEGB O=C(CBr)c1cncc(Br)c1 34321321 AKNNVDRPTUAAHI-UHFFFAOYSA-N 278.931 2.422 50 40 CEGB CCNC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1 6326050 NSAZYQXLCWRHEH-JYRVWZFOSA-N 254.289 2.048 50 40 CEGB CC(C)(C)OC(=O)N1CCC(C(=O)CCl)CC1 44888944 HOADAMBVZRLQOF-UHFFFAOYSA-N 261.749 2.441 50 40 CEGB CC(/C=N/NC(=O)c1ccncc1)=C\c1ccco1 4951620 AJOVEAPHFJYXPO-VZNDOJKJSA-N 255.277 2.494 50 40 CEGB O=C(N/N=C\c1ccc(O)cc1)c1ccc(F)cc1 59719023 ZGEIOGOWYVXUQV-SXGWCWSVSA-N 258.252 2.295 50 40 CEGB Cc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1C 26422944 NYQRJPLHIVKLPN-SNVBAGLBSA-N 251.713 2.422 50 40 CEGB COc1ccnc(NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)n1 46364508 UFALGLNODKUCAW-JQWIXIFHSA-N 290.367 2.167 50 40 CEGB O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)c1cccnc1 13582906 RVJUPELEUGPWTK-OWTCCTNOSA-N 296.286 2.419 50 40 CEGB C/C(=N\NC(=O)c1ccccc1)c1ccc(O)cc1O 4579158 AJIMDDATHJASAI-MHWRWJLKSA-N 270.288 2.252 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1ccco1 408896382 NDVHGUPFNQKMDB-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB COc1cc(C)c(/C=N/NC(=O)c2ccccn2)cc1OC 408549462 UAEJZWDSPSCAFS-VCHYOVAHSA-N 299.330 2.171 50 40 CEGB N#CC1=CN(Cc2ccc3c(c2)OCO3)C=C[C@@H]1C#N 5081983 DLWWSCNTSPINHC-GFCCVEGCSA-N 265.272 2.292 50 40 CEGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 2645647 KQNZDRGPDJVGOK-HNBAAQFOSA-N 259.265 2.120 50 40 CEGB N#C/C(=C\c1cccs1)C(=O)NCc1cccnc1 227229 JBRMUFCVKACVCM-KPKJPENVSA-N 269.329 2.366 50 40 CEGB CC/C(=N\NC(=O)C1CC1)c1cc(F)ccc1O 58157793 HCHTZCBRYFECEM-RVDMUPIBSA-N 250.273 2.172 50 40 CEGB N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)NC1CC1 5728917 JRWPBFIYNXEPNV-YRNVUSSQSA-N 296.305 2.401 50 40 CEGB CN(C)C(=O)c1cccc(-c2noc(CCl)n2)c1 1582935364 WBXGCCLMCMWXPX-UHFFFAOYSA-N 265.700 2.177 50 40 CEGB O=C(N/N=C\c1ccccc1C(=O)O)c1ccccc1 5946432 WMGNXSHCBFOLDJ-YBEGLDIGSA-N 268.272 2.149 50 40 CEGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(O)cc1O 18137267 ICGSLQIPPCJZJQ-GZTJUZNOSA-N 284.315 2.181 50 40 CEGB COC(=O)c1ccccc1C(=O)CBr 1685190 YMYJFFPVXIIPGU-UHFFFAOYSA-N 257.083 2.051 50 40 CEGB Cc1cc(C)cc(C(=O)NNC(=O)c2cccs2)c1 8335503 MCJJAKZMKUWQNT-UHFFFAOYSA-N 274.345 2.440 50 40 CEGB COc1ccc(Cl)cc1/C=C\C=C(/C#N)C(N)=O 8637484 MFGLLGUAIRYAOJ-RVQAKMSSSA-N 262.696 2.297 50 40 CEGB CC(=O)N(C)c1ccc(NC(=O)CBr)cc1 35604933 MPOMBARZZLNFIS-UHFFFAOYSA-N 285.141 2.003 50 40 CEGB N#C/C(=C(\O)C(F)(F)F)c1nnc2n1CCCCC2 100871890 SIFLMJWHXCRURS-VQHVLOKHSA-N 272.230 2.359 50 40 CEGB C[C@@]1(C(=O)NNC(=O)C2CCCCC2)CC1(Cl)Cl 2344641 RSMJHMCIIQRQNK-NSHDSACASA-N 293.194 2.298 50 40 CEGB CC/C=N/NC(=O)c1ccc(NC(=O)C2CC2)cc1 4545275 FEWQOSKHGOUXNS-OQLLNIDSSA-N 259.309 2.161 50 40 CEGB CCC(/C=N/NC(=O)[C@H]1COc2ccccc2O1)CC 5699334 WFGYUFOVBQONMD-BRYYZUPOSA-N 276.336 2.365 50 40 CEGB N#C/C(=C\Nc1ccccc1OC(F)F)C(N)=S 11612402 DKNCURHBQXEINT-VOTSOKGWSA-N 269.276 2.393 50 40 CEGB N#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1C(=O)O 2726815 TYSPKTQSWCOPEQ-XYOKQWHBSA-N 293.282 2.325 50 40 CEGB CCOC(=O)/C(=N\Nc1ccc(C)cc1)C(=O)CCl 100025434 NFWFKDQUIQMYNV-VBKFSLOCSA-N 282.727 2.134 50 40 CEGB O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1 358470 PLAZHQZRBOCCCP-UHFFFAOYSA-N 277.280 2.020 50 40 CEGB BrC[C@@H]1Cn2c(nnc2-c2ccncc2)S1 543321 RVVJHFFASPAHCO-MRVPVSSYSA-N 297.181 2.209 50 40 CEGB S=C=NC[C@@H](Br)CBr 1605961 AFQQAAKQKFCSPQ-BYPYZUCNSA-N 258.966 2.248 50 40 CEGB CC(C)(Br)[C@@H](Br)C(=O)O 67172278 RWJNIIYQCXBZFS-VKHMYHEASA-N 259.925 2.008 50 40 CEGB CCCC(=O)NNC(=S)N[C@@H](C)c1ccccc1 6397338 ASXMUCBJFFWTKF-JTQLQIEISA-N 265.382 2.043 50 40 CEGB C/C(=N\NC(=O)Cc1c(C)[nH]c2ccc(C)cc12)[C@H](C)O 4679838 UBVDQEVVIXDURJ-NNLQFVHNSA-N 287.363 2.200 50 40 CEGB O=C(Cc1ccc(O)cc1)N/N=C/c1cccs1 15933702 WUJBAYATMBKWQA-NTEUORMPSA-N 260.318 2.147 50 40 CEGB N#C/C(=C\c1ccccc1O)C(=O)NCc1ccco1 408735236 OVRAKZKPDQBRDA-XYOKQWHBSA-N 268.272 2.209 50 40 CEGB COc1cccc(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c1 34197068 RXFWEJWHDOOBCN-YVLHZVERSA-N 298.298 2.157 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccccc2)cc1 31669970 XHYYXBAFSXMSKM-WJDWOHSUSA-N 254.289 2.459 50 40 CEGB Cc1ccc(NCC(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1 138344056 RVQGIYQNRBVDBU-DFXVAZBUSA-N 269.348 2.475 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2cccs2)cc1 585347 BEPAXOVLCIFYRK-XNTDXEJSSA-N 274.345 2.450 50 40 CEGB CC(/C=C\c1ccco1)=N\NC(=O)c1ccncc1 17285796 QUVHKWHEWFRMPK-GRKCCUCSSA-N 255.277 2.494 50 40 CEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 62856 UKJLQHFHXYZPJM-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB COc1ccccc1CC(C)(C)NC(=O)CCl 57540164 YYOZJDYIAOJUBI-UHFFFAOYSA-N 255.745 2.371 50 40 CEGB CC(=O)NNC(=O)c1ccccc1OCc1ccccc1 7611006 WVSHZQVJKFDILU-UHFFFAOYSA-N 284.315 2.047 50 40 CEGB C[N+](C)(C)CC(=O)N/N=C\c1ccc(Cl)cc1Cl 31937755 KSSJBIRHPFDLCD-CHHVJCJISA-O 289.186 2.150 50 40 CEGB CC(C)(C)OC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1 667362284 DJOQQTFAEPYOSQ-JIGDXULJSA-N 262.147 2.247 50 40 CEGB C/C(=N/NC(=O)C1CC1)c1c(C)nn(-c2ccccc2)c1O 16249351 XBCJEDCDCIPUBP-YVLHZVERSA-N 298.346 2.137 50 40 CEGB CN(C)C(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1 1106494 VSJUAMAAQMHPPW-WEVVVXLNSA-N 279.683 2.243 50 40 CEGB COc1ccc(OC)c(C[C@H](Br)C(=O)O)c1 107843397 PLYPARMGOMBDJO-VIFPVBQESA-N 289.125 2.094 50 40 CEGB CC(=O)Nc1ccc(C(=O)NN(C)c2ccccc2)cc1 14183526 CKSSSORINVDQKO-UHFFFAOYSA-N 283.331 2.426 50 40 CEGB CC(C)=NNC(=O)CSCCc1ccccc1 408727223 PHGDWGBAAPMTHW-UHFFFAOYSA-N 250.367 2.474 50 40 CEGB COC(=O)N/N=C1/CCSc2c(F)cccc21 71928299 AGNVSJYHLFPIPL-LCYFTJDESA-N 254.286 2.382 50 40 CEGB COc1ccccc1/C=N\NC(=O)Cc1ccccc1 17126052 RBQBQRZVSFKVJU-ATVHPVEESA-N 268.316 2.388 50 40 CEGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 1689122 NGZSAXPMJFXZDU-LICLKQGHSA-N 297.314 2.115 50 40 CEGB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Cl)ccc21 4218920 JSMBGMRSUWECSH-MRVPVSSYSA-N 251.713 2.406 50 40 CEGB C[C@@]1(C(=O)N/N=C/c2ccco2)CC1(Cl)Cl 2746015 UBEUWCGYNSNMKD-DHIBQTOVSA-N 261.108 2.314 50 40 CEGB COc1cccc(/C(C)=N/NC(=O)c2ccc(N)cc2)c1 6368313 NPEQOJPCPHSWFD-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB COC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(C)c1C 96298397 HJMFXOGNPKARRH-AAWHYMEISA-N 272.348 2.362 50 40 CEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1 33702264 CBMUWIOQTSYSTG-WJDWOHSUSA-N 283.287 2.288 50 40 CEGB CN(C)C=C1C(Cl)=C(C=O)CC(C=O)=C1Cl 31829625 BRIMGKZJPCSTCP-UHFFFAOYSA-N 260.120 2.219 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccccc2N)c1OC 2744527 YYFNMSUUXKWKJG-VCHYOVAHSA-N 299.330 2.050 50 40 CEGB N#Cc1ccc(OCC(=O)N/N=C/c2ccsc2)cc1 6684924 AZSCFDLYOUOAOJ-LZYBPNLTSA-N 285.328 2.149 50 40 CEGB N#CC1=C(N)NC2=C(CCCC2)[C@]12C(=O)Nc1ccccc12 100931561 UEFORZGSFUXVKK-QGZVFWFLSA-N 292.342 2.002 50 40 CEGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1 59515832 OFFPBXCBJABNHK-UHFFFAOYSA-N 273.336 2.452 50 40 CEGB C[C@@H](NC(=O)CCl)c1ccc2c(c1)OCCCO2 95920288 GCPWRODZZLYFON-SECBINFHSA-N 269.728 2.264 50 40 CEGB COc1cc([N+](=O)[O-])c2nccc([C@H](O)CCl)c2c1 5639746 KDTBYHNUMXZCKC-LLVKDONJSA-N 282.683 2.424 50 40 CEGB N#C/C(=C/c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 12352668 TUCIOBMMDDOEMM-ZSOIEALJSA-N 294.310 2.321 50 40 CEGB in-vitro CN(C)c1ccc(/C=N/NC(=O)[C@H]2CCCO2)c(Cl)c1 1740122 YARZGYFZIWYPDO-BPKVKKHESA-N 295.770 2.035 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccco1 85408867 GYLZMEMUWZEOCQ-CYBMUJFWSA-N 254.245 2.203 50 40 CEGB CN(C)C(/C=C/Nc1ccc(O)cc1)=C(C#N)C#N 100913229 IZUOBSYLVUVGAG-BQYQJAHWSA-N 254.293 2.181 50 40 CEGB O=C(O)C1C[C@@H](Br)[C@H](Br)C1 164008 ASIZXNHIJAQVTG-RFZPGFLSSA-N 271.936 2.008 50 40 CEGB C[C@@H](Br)C(=O)NCCc1ccccc1 794163 KYGVWQHKDRIQKQ-SECBINFHSA-N 256.143 2.129 50 40 CEGB CN1C(=C(C#N)C(=O)CCl)N(C)c2ccccc21 2655603 TXVLWCJETIWPJL-UHFFFAOYSA-N 261.712 2.116 50 40 CEGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(O)cc1 100956350 YWLVLBVOPJLINV-UEUZIPNWSA-N 256.305 2.320 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 4784526 CYNJIHJPJCWRES-AUWJEWJLSA-N 277.211 2.091 50 40 CEGB COc1cccc(NC(=O)/C(C#N)=C\c2csnn2)c1 97096878 YJPHQBAOQABWDZ-UITAMQMPSA-N 286.316 2.092 50 40 CEGB COC(=O)c1ccc(/C=N\NC(=O)c2ccccc2)cc1 33361493 IQEFDHSWNZFETE-BOPFTXTBSA-N 282.299 2.237 50 40 CEGB O=C(CCl)c1ccc([C@@H]2CCS(=O)(=O)C2)cc1 256049177 YPTWXZKMFHLQAN-LLVKDONJSA-N 272.753 2.010 50 40 CEGB CCN(CC)c1ccc(/N=C(\C#N)C(N)=C(C#N)C#N)cc1 16678182 CUHSMHOAONGOMV-RCCKNPSSSA-N 292.346 2.389 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 6297526 BLBUZGUMOWIZGD-YBFXNURJSA-N 278.315 2.120 50 40 CEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 98050 HIPXTJYDLDJZHZ-CYBMUJFWSA-N 288.278 2.080 50 40 CEGB O=C(CN(CCCl)CCCl)Nc1ccccc1 1657375 JFQRMUFRAMWXCE-UHFFFAOYSA-N 275.179 2.405 50 40 CEGB CN(c1ccccc1)C1CCN(C(=O)CCl)CC1 95351590 DGOHNQSDOKRAIO-UHFFFAOYSA-N 266.772 2.353 50 40 CEGB Cc1ccc(C)c(NCC(=O)N/N=C(\N)c2ccccc2)c1 8574910 XRYHUWPZPFBTIT-UHFFFAOYSA-N 296.374 2.152 50 40 CEGB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CCl)c12 12505098 ULRPVXFIHRZAEK-UHFFFAOYSA-N 257.698 2.335 50 40 CEGB O=C(CCl)NC(=O)NC12CC3CC(CC(C3)C1)C2 3261731 OBLFEICGDWLKQF-UHFFFAOYSA-N 270.760 2.020 50 40 CEGB O=C(Cl)[C@H]1CCCCN1S(=O)(=O)c1cccs1 11920002 YGXIEGGMJPGGPB-MRVPVSSYSA-N 293.797 2.057 50 40 CEGB COc1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCOCC1 34776796 PVOPVVIIEIWVPV-SNVBAGLBSA-N 298.770 2.098 50 40 CEGB BrC(Br)I 85951971 SZVSEQHMMFKGEI-UHFFFAOYSA-N 299.731 2.495 50 40 CEGB in-vitro CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1 134443 GMKUGHZKJDHCCC-GZTJUZNOSA-N 281.315 2.409 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2ccc(C#N)cc2)cc1 585321 MGDNNYQKEMXLCG-XDHOZWIPSA-N 293.326 2.260 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccncc1 71132 CWSUWMTVRHUOEW-AWEZNQCLSA-N 265.272 2.005 50 40 CEGB N#C/C(=C/c1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCO1 247385 DMWZRMMVJNXHPH-ICDLMJIXSA-N 295.342 2.370 50 40 CEGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)cc1O 100217821 AWHOKDBSDWPXQZ-RFQQIBIQSA-N 288.347 2.374 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 37389577 KUSPGFDAPLUYCI-VIFPVBQESA-N 266.728 2.379 50 40 CEGB in-vitro CCN(Cc1ccc(OC)c(F)c1)C(=O)CCl 4205483 KELOHOBIZRIMAE-UHFFFAOYSA-N 259.708 2.422 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2)cc1 357821 NDQCFHCAITUGPD-LDADJPATSA-N 298.342 2.484 50 40 CEGB Cc1cccc(C(=O)NNC(=O)CCc2ccccc2)c1O 378949 VPJCFUIFIFXQIT-UHFFFAOYSA-N 298.342 2.094 50 40 CEGB CCC(=O)NNc1nc2ccc([N+](=O)[O-])cc2s1 59417515 WCVBUUIFEDRPME-UHFFFAOYSA-N 266.282 2.058 50 40 CEGB C=CCNC(=O)CC(=O)NN=C1CCC(C(C)(C)C)CC1 59435607 SVOYSBYQJAPAHT-UHFFFAOYSA-N 293.411 2.387 50 40 CEGB Cc1cc(/C=C(/C#N)C(N)=O)ccc1Br 74804838 KLXOHLDYSGHUTO-UITAMQMPSA-N 265.110 2.150 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(C)o2)c(OC)c1 6301814 JVMFGLJONYNUHY-CXUHLZMHSA-N 288.303 2.369 50 40 CEGB Cc1ccnn1CC(=O)N/N=C/c1cccc2ccccc12 139068 NMSXWJHGTVQYCX-WOJGMQOQSA-N 292.342 2.495 50 40 CEGB O=C(C[n+]1ccccc1)N/N=C/c1cccc2ccccc12 2705157 RELJTYYXIJIOAC-CPNJWEJPSA-O 290.346 2.278 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cnc(C(C)(C)C)nc1 49099516 KNERTLIVYCJWLE-JXMROGBWSA-N 274.324 2.157 50 40 CEGB CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 9109739 OVMVZYKMGMJVOY-SECBINFHSA-N 288.328 2.117 50 40 CEGB CCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 71404753 CSJXUIHJPRVXPN-MWLCHTKSSA-O 264.773 2.108 50 40 CEGB N#CC(C#N)=C(N)/C(C#N)=C\c1ccnc2ccccc12 73369323 WUHQDOPBKHBJIG-GHXNOFRVSA-N 271.283 2.402 50 40 CEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@@H]2C1 13471582 VAQRVCBBEULQPJ-HUUCEWRRSA-N 295.390 2.064 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1OC 13553010 NQJPFGYHYGWONO-MHWRWJLKSA-N 288.303 2.451 50 40 CEGB CCCCSC[C@@H](O)C[C@H](CCC(C)C)C(=O)NN 2314769 QTJORSDXWZNJRU-STQMWFEESA-N 290.473 2.313 50 40 CEGB CC(=O)c1ccc(NC(=S)NNC(=O)CC(C)C)cc1 5944627 JFTCIPXSKQMYSH-UHFFFAOYSA-N 293.392 2.253 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccccc2)c1OC 33392407 WOPCYLSTDWBKSZ-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB COC/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1 44564095 RMKSZKNEPFLURM-WZUFQYTHSA-N 263.293 2.266 50 40 CEGB in-vitro Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1C 8334173 PLVCRFOIFNKJPK-ZVCOJXFSSA-N 294.358 2.399 50 40 CEGB Cc1ccc(C(=O)N/N=C2\CCSC2)cc1[N+](=O)[O-] 373013 FPNFKFOZTGWMHA-JLHYYAGUSA-N 279.321 2.126 50 40 CEGB C[N+](C)(C)CCOC(=O)c1ccccc1CCl 1720513 MQPBUNIBNAXWSA-UHFFFAOYSA-N 256.753 2.288 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)N2CCCCC2)ccc1O 1408583 FUMGKKWFGCWVOT-UKTHLTGXSA-N 286.331 2.320 50 40 CEGB COC(=O)c1ccc2[nH]cc(C(=O)CCl)c2c1 58041752 JAXDITYKGJUIHT-UHFFFAOYSA-N 251.669 2.376 50 40 CEGB in-vitro Cc1cc(/C=N\NC(=O)c2ccccc2O)cc(C)c1O 109131954 QMRDRGRCCWJMCB-MFOYZWKCSA-N 284.315 2.479 50 40 CEGB CC(=O)Nc1cccc(C(=O)CBr)c1 27529761 IBMUCSJKSQYUIB-UHFFFAOYSA-N 256.099 2.223 50 40 CEGB CCCCCC(=O)N/N=C/c1cccc(O)c1O 9426237 RYVCQTXFHPVDCI-NTEUORMPSA-N 250.298 2.128 50 40 CEGB N#C/C=C1\SCC(=O)N1C[C@@H](O)c1ccc(Cl)cc1 16044231 MZPPDKVYVSHUEP-CGGVXGFASA-N 294.763 2.314 50 40 CEGB C/C(CCc1ccccc1)=N\NC(=O)CC1(C)OCCO1 408772002 JPJTZJLYENXYOH-GHRIWEEISA-N 290.363 2.264 50 40 CEGB ClCc1nc(-c2ccc(N3CCSCC3)nc2)no1 98086537 ORKMCEGWUYEKOW-UHFFFAOYSA-N 296.783 2.424 50 40 CEGB CCOC(=O)/C(C#N)=C\P(=O)(OCC)OCC 17023692 XTMHXUHMNUOIEF-HJWRWDBZSA-N 261.214 2.223 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@@H]4[C@@H]1C(=O)[C@H]1[C@@H]2[C@H]3C[C@H]41 169795873 DYJXAYHLFCEUAR-ILAQYXEASA-N 253.139 2.097 50 40 CEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccnc1 239324 BVVIQRSKJZVCSI-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB BrC[C@H]1Cn2c(nnc2-c2ccncc2)S1 543322 RVVJHFFASPAHCO-QMMMGPOBSA-N 297.181 2.209 50 40 CEGB O=c1c2ccccc2nc2n1[C@H](CBr)CS2 1392648 RNDUBKQTARBHAS-SSDOTTSWSA-N 297.177 2.438 50 40 CEGB CN1CCN(c2ccc(NC(=O)CCCl)cc2)CC1 4040274 FMOOWIUSVCCZBQ-UHFFFAOYSA-N 281.787 2.006 50 40 CEGB CN1CCc2c1nc1ccccc1c2NC(=O)CCl 4460099 HVLALAKIRGOWPB-UHFFFAOYSA-N 275.739 2.404 50 40 CEGB COc1cc(C)ccc1C(=O)N/N=C/c1cccnc1 408892657 CJLYZJFFICEDJN-LICLKQGHSA-N 269.304 2.163 50 40 CEGB CC1=C(C#N)[C@](Nc2cc(C)ccn2)(C(F)(F)F)C(=O)N1 4718006 WSMRMIJSZNSBQQ-GFCCVEGCSA-N 296.252 2.030 50 40 CEGB C/C(=N\NC(=O)CCn1nc(C)cc1C)C(C)(C)C 4808379 QEFCKSSWLLVKRR-NTCAYCPXSA-N 264.373 2.428 50 40 CEGB COc1cc(Br)cc(/C=C/C=O)c1O 40545670 CKZNVFZNRHIKLX-NSCUHMNNSA-N 257.083 2.375 50 40 CEGB CN(C)c1ccc([PH](=O)c2ccc(N(C)C)cc2)cc1 195233796 RWYIFIGCEJVAED-UHFFFAOYSA-N 288.331 2.329 50 40 CEGB O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1CC1 78674026 FJTHDQBDCXMKLK-UHFFFAOYSA-N 278.699 2.243 50 40 CEGB O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCl 4524554 MZQCIGJADNGNNG-HWKANZROSA-N 267.712 2.174 50 40 CEGB C[C@@H](Cl)C(=O)NC1CCN(Cc2ccccc2)CC1 164033 XWIKFLBCYBWMDX-GFCCVEGCSA-N 280.799 2.395 50 40 CEGB O=C(CI)OCc1ccccc1 1583906 RCNXBVQQUUKQNX-UHFFFAOYSA-N 276.073 2.165 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccc(C)nc2)c(O)c1 1020918 IHBZDEVGLNEEAO-RQZCQDPDSA-N 269.304 2.168 50 40 CEGB O=C(OCCCl)n1c(=O)oc2cc(Cl)ccc21 2306294 PEDXOQTXRDCIRF-UHFFFAOYSA-N 276.075 2.471 50 40 CEGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(O)c1 9096139 WJCRLEXLLLXZDX-OPZPSJHESA-N 288.347 2.374 50 40 CEGB COc1cccc(NC(=O)NNC(=O)Cc2ccccc2)c1 8167880 GYAJUDSPDCELGB-UHFFFAOYSA-N 299.330 2.091 50 40 CEGB CCN(CC)c1ccc(/C=N\NC(=O)c2cnccn2)cc1 30725525 HZKMQOSQJCPWQD-ODLFYWEKSA-N 297.362 2.087 50 40 CEGB Cc1c(NC(=O)CBr)cccc1[N+](=O)[O-] 35604939 OSDJCSTWUQWVPP-UHFFFAOYSA-N 273.086 2.237 50 40 CEGB CCOc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 45952905 DWXVWDFXAQBUPL-SECBINFHSA-N 267.712 2.204 50 40 CEGB CS(=O)(=O)[C@H](Cl)C(=O)c1cccc(Cl)c1 96517749 QLFABVZTHRCSEN-VIFPVBQESA-N 267.133 2.132 50 40 CEGB COc1ccc(Cl)cc1/C=C\C=N\NC(N)=O 16920225 QCFBGLUTGZSXJT-ROCRGOPSSA-N 253.689 2.016 50 40 CEGB CCOC(=O)c1sc(SC)nc1NC(=O)CCl 159953 JGKCVQCEQAZFPI-UHFFFAOYSA-N 294.785 2.219 50 40 CEGB O=C(CCC1CCCC1)NNC(=O)c1ccco1 496778 IBYNPLMKBMMVOY-UHFFFAOYSA-N 250.298 2.011 50 40 CEGB CCOC(=O)NNC(=O)Nc1ccc(Cl)cc1 4293481 GXCZOGDXTGIUPE-UHFFFAOYSA-N 257.677 2.123 50 40 CEGB Cc1ccc(C(=O)NN=C2C[C@@H]3CC[C@@H](C2)N3C)s1 102217753 JUWODUAYRBSGIE-RYUDHWBXSA-N 277.393 2.399 50 40 CEGB N#C/C(N)=C(\C#N)NC(=O)Nc1ccc(Cl)c(Cl)c1 3107976 AOYGVOISJGXJIG-KTKRTIGZSA-N 296.117 2.332 50 40 CEGB C[C@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H](C(=O)[C@@H]1[C@@H]53)[C@@H]42 102942953 DYJXAYHLFCEUAR-YCUICIHESA-N 253.139 2.097 50 40 CEGB O=C(NN=C(CCl)CCl)c1ccc(F)cc1 100244232 QIYPPBCAJVLZCY-UHFFFAOYSA-N 263.099 2.389 50 40 CEGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 9334760 MGFLXJXSFLCALD-ZDUSSCGKSA-N 297.289 2.041 50 40 CEGB C/C(=N\NC(=O)c1ccccc1C)c1csc(N)n1 96297758 XTDUGFPRUPBLTF-CXUHLZMHSA-N 274.349 2.188 50 40 CEGB CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)c1cccc(F)c1 4402058 RZSASZSYXGVIHQ-NFDWGTCTSA-N 293.342 2.236 50 40 CEGB C[C@H]1CCc2sc(C(=O)NNC(=O)C3CC3)cc2C1 14800600 SYTBRGGGJJNJIN-QMMMGPOBSA-N 278.377 2.044 50 40 CEGB C/C(=N\NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 8043614 GGYKJIJEXASOEY-MHWRWJLKSA-N 286.287 2.205 50 40 CEGB C=CCOC(=O)/C(C#N)=C/c1ccc2c(c1)OCCO2 3617533 AEBMRSAFWITTNM-XYOKQWHBSA-N 271.272 2.094 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1F)c1cccnc1 3173167 CGRGXYIZSANYBB-CAOOACKPSA-N 261.231 2.124 50 40 CEGB CN(C)c1ccc(/C=N\NC(=O)[C@@H]2CCCO2)c(Cl)c1 31723683 YARZGYFZIWYPDO-LWLPBDFMSA-N 295.770 2.035 50 40 CEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccccc1 5104085 YBEVPNAXTCGIAC-GDNBJRDFSA-N 269.260 2.359 50 40 CEGB C/C(=N/NC=O)c1ccc2cc3c(cc2c1)OCO3 16952094 UCXQJUNAKINCCZ-SXGWCWSVSA-N 256.261 2.039 50 40 CEGB COc1cccc2c(CBr)cc(=O)[nH]c12 16979767 ZGLMCJPMZXXQLG-UHFFFAOYSA-N 268.110 2.432 50 40 CEGB CCCCSC[C@H](O)C[C@@H](CCC(C)C)C(=O)NN 2314766 QTJORSDXWZNJRU-CHWSQXEVSA-N 290.473 2.313 50 40 CEGB CC(=O)NCCc1ccc(C(=O)[C@H](C)Cl)cc1 4218835 KVZIMDNIVVWTAC-VIFPVBQESA-N 253.729 2.175 50 40 CEGB in-vitro Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1C 408774965 DVLVDMVMRGGUOI-GZTJUZNOSA-N 269.348 2.335 50 40 CEGB O=c1c2ccccc2n2c(CCl)nnc2n1C1CC1 408712717 KRHNXBVFFJSWBE-UHFFFAOYSA-N 274.711 2.118 50 40 CEGB CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2ccccc21 223207067 GJPDOWGHAGYSNU-UHFFFAOYSA-N 273.380 2.457 50 40 CEGB CCOC(=O)[C@H](Br)C1CC(F)(F)C1 953019014 HTNIANAWFMBWNQ-ZCFIWIBFSA-N 257.074 2.358 50 40 CEGB CCOC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1 5163791 RESMQSDQMWQWAO-NTEUORMPSA-N 266.297 2.174 50 40 CEGB CCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 12688617 OLPFRYJWLZXXSY-UHFFFAOYSA-N 289.360 2.290 50 40 CEGB CCCc1noc2c1[C@H](c1ccoc1)C(C#N)=C(N)N2 55008618 ANVKSVYJUJLKDF-LLVKDONJSA-N 270.292 2.471 50 40 CEGB CC(C)CC(=O)NNC(=O)c1ccc(OC(F)F)cc1 12753253 RONAZRBLKAAORQ-UHFFFAOYSA-N 286.278 2.095 50 40 CEGB Cc1c(C(=O)N/N=C/c2ccccc2O)cccc1[N+](=O)[O-] 59447417 FDWUUWUULXAADW-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccccc2O)c1 9190150 CTIKQIIPRQQOGA-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB Cc1cc(C(=O)NNC(=O)Cc2ccccc2C)c(C)o1 7526092 OYKQZMQKPMGWJT-UHFFFAOYSA-N 286.331 2.209 50 40 CEGB O=C(CCl)Nc1nsc(-c2cccc([N+](=O)[O-])c2)n1 44831211 OUFQDKYMCYRDHJ-UHFFFAOYSA-N 298.711 2.291 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 487266 SZLBYDMZCOPHKB-CAOOACKPSA-N 298.298 2.193 50 40 CEGB CN(C)c1cccc(C(=O)NNC(=O)C2CCCCC2)c1 12736524 OMEDKOXUEXTKIE-UHFFFAOYSA-N 289.379 2.094 50 40 CEGB CCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1CC 4402027 CVACRHRZTKFDRF-GZTJUZNOSA-N 275.352 2.480 50 40 CEGB CC(=O)Oc1c(Br)cc([N+](=O)[O-])cc1C#N 100006053 MGCCRUIVVHGHNO-UHFFFAOYSA-N 285.053 2.154 50 40 CEGB O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)cc1 328153 UFQCEDNQRVEOCF-UHFFFAOYSA-N 290.710 2.202 50 40 CEGB N#C/C(=C/c1cc2c3c(c1)CCCN3CCC2)C(=O)O 3871915 JXENNHTVELFRHV-ZROIWOOFSA-N 268.316 2.377 50 40 CEGB in-vitro CCOc1cccc(/C=N/NC(=O)c2ccncc2)c1 6554603 OYGCVWAYZVXUNI-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB Cc1cc(C(=O)NNC(=S)NC2CCCC2)cs1 17009070 XQRMPRPOQFNELL-UHFFFAOYSA-N 283.422 2.108 50 40 CEGB CCOc1cccc(/C=N\NC(=O)c2cccnc2)c1 32704823 WQNUDZDCPSRCSI-YVLHZVERSA-N 269.304 2.244 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 59142 FVLZXGOHIYWWLS-LICLKQGHSA-N 265.272 2.028 50 40 CEGB N#CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1 8166800 IESIPEQEWVTIMY-LDADJPATSA-N 279.299 2.353 50 40 CEGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)C1[C@H]2CCCC[C@H]12 100505421 KTDSHTNRSBGIEE-ZQDZILKHSA-N 298.386 2.374 50 40 CEGB CCN(CCNC(=O)CCl)c1cccc(C)c1 3888992 NIWALDVNKVXNLD-UHFFFAOYSA-N 254.761 2.176 50 40 CEGB O=C(CCl)N1CCN(c2cccc(Cl)c2)CC1 3888924 QEKHLFPLCZFMFJ-UHFFFAOYSA-N 273.163 2.227 50 40 CEGB in-vitro COc1ccccc1NCC(=O)N/N=C(\C)c1ccco1 4497988 CGQXAAKTSFRUCP-GZTJUZNOSA-N 287.319 2.241 50 40 CEGB CCCCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1 7849264 QYXBXSLHXGMDDY-UHFFFAOYSA-N 285.347 2.432 50 40 CEGB Cc1ccsc1/C=C/C(=O)NNC(=O)c1ccco1 8354912 WKKBNOLNDICZMT-SNAWJCMRSA-N 276.317 2.124 50 40 CEGB C/C(=C/C(=O)c1ccccc1)NNC(=O)c1ccco1 408957461 UPKHZPYDFGOCJV-KHPPLWFESA-N 270.288 2.301 50 40 CEGB O=C(N/N=C/c1ccccn1)c1ccccc1Cl 3159785 WITCCAVPYDLCKB-CXUHLZMHSA-N 259.696 2.499 50 40 CEGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccnc1 8783404 PRLPKYYDZYSNKM-MRXNPFEDSA-N 292.342 2.366 50 40 CEGB COc1ccc(CC(=O)OCCBr)cc1 1615242 MJXKITKLYGQQCZ-UHFFFAOYSA-N 273.126 2.176 50 40 CEGB CCOC(=O)/C(C#N)=C\c1cc2ccc(OC)cc2[nH]c1=O 4778897 AIWYDAGNWKGTGY-GHXNOFRVSA-N 298.298 2.007 50 40 CEGB N#C/C(=C\c1ccncc1)C(=O)NCCc1ccccc1 6644070 CMQDCQDMVMNDFU-FOWTUZBSSA-N 277.327 2.347 50 40 CEGB C[C@@H]1CN(c2ncc(C=C(C#N)C#N)s2)C[C@@H](C)O1 4042553 ABQQEGYUXQPGPF-NXEZZACHSA-N 274.349 2.187 50 40 CEGB CCC(/C=N/NC(=O)Cc1cn2ccsc2n1)CC 5695289 RXFQQNCNGOBSEL-RIYZIHGNSA-N 278.381 2.477 50 40 CEGB Cc1ccc(CC(=O)NNC(=O)c2ccccc2F)cc1 8141841 NJWQOFMUKXBISP-UHFFFAOYSA-N 286.306 2.138 50 40 CEGB N#C/C(=C\c1ccc(Sc2ccccn2)o1)C(N)=O 408987521 BGARYMMKIGYMQF-VQHVLOKHSA-N 271.301 2.218 50 40 CEGB O=C(N/N=C\c1cccnc1)c1ccc(Cl)cc1 33295846 UHWSXSDVYCBCKO-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB Cn1cccc1/C=N\NC(=O)COc1cccc(Cl)c1 33324262 HQYJDKUGNKXTTI-SXGWCWSVSA-N 291.738 2.208 50 40 CEGB O=C(Cc1ccccc1)NN=C(CCl)CCl 4918844 QTIGQSGVHBIPHT-UHFFFAOYSA-N 259.136 2.179 50 40 CEGB Cc1ccc(C)c(Nc2nc(CC(=O)NN)cs2)c1 223449514 HBDYMNMJJKNUEI-UHFFFAOYSA-N 276.365 2.036 50 40 CEGB C[C@@H](Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 32626870 AAUUDVSVTXSDCA-SECBINFHSA-N 266.728 2.379 50 40 CEGB in-vitro O=C(NN(c1ccccc1)c1ccccc1)[C@H]1COCCO1 32977819 LIJVMFJSWQNZRG-MRXNPFEDSA-N 298.342 2.271 50 40 CEGB COc1ccc2c(c1)CC[C@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@@H]21 101012748 FYCGVOHPPYSXFO-SOUVJXGZSA-N 284.311 2.361 50 40 CEGB C/C(=C/C(=O)c1ccc(Cl)cc1)NNC(=O)C1CC1 408949058 DQRXPUMMILIJDF-HJWRWDBZSA-N 278.739 2.457 50 40 CEGB O=C(CCl)N1CC[C@@H](N(Cc2ccccc2)C2CC2)C1 79415060 YUHPLKKYXYAOKA-OAHLLOKOSA-N 292.810 2.491 50 40 CEGB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C)C(=O)NN 223195461 UCHZZEXMGUGXSP-NEPJUHHUSA-N 275.396 2.466 50 40 CEGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1 19835461 NXPKCPUIMCQQSH-WOJGMQOQSA-N 297.314 2.161 50 40 CEGB O=C(COc1ccccc1)OCCBr 1566480 BYMBCVVGLSLHIL-UHFFFAOYSA-N 259.099 2.004 50 40 CEGB CCOC(=O)N/N=C/C=C\c1ccc(N(C)C)cc1 8627748 VXCHHNHDJABSCT-UXNHMYCNSA-N 261.325 2.498 50 40 CEGB COc1ccnc(NNC(=O)[C@@H]2CCCc3ccccc32)n1 46365586 JPKXEQRFRKHIIV-CYBMUJFWSA-N 298.346 2.048 50 40 CEGB O=C(NNC(=O)c1ccco1)Nc1cccc(Cl)c1 2737212 AWUQCFCEENSQJK-UHFFFAOYSA-N 279.683 2.400 50 40 CEGB C/C=C/C=C/C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 15900694 JOFDSWWBVZGRQX-MQQKCMAXSA-N 288.391 2.483 50 40 CEGB O=C(Cl)c1cc(C(=O)Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 68563610 BVJAHSGPQFJMLI-UHFFFAOYSA-N 293.018 2.261 50 40 CEGB CCCn1c(Cc2ccccc2)ccc1C(=O)NN 226027460 ZFMQGLBCIOWMMP-UHFFFAOYSA-N 257.337 2.092 50 40 CEGB COc1ccccc1NC(=O)/C(C#N)=C/c1cn(C)nc1C 2744026 OBKVINPWELRFDS-XYOKQWHBSA-N 296.330 2.283 50 40 CEGB [BH3-][P+](c1ccccc1)(c1ccccc1)c1cccc(F)c1 226651816 TUNXCGPKAHJLBV-UHFFFAOYSA-N 294.118 2.400 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(O)cc1 362252 OOFWNKKTNQQGJY-CXUHLZMHSA-N 258.252 2.295 50 40 CEGB Cc1c(C(=O)O)oc2c1C(=O)[C@@H](Br)CC2 6008458 UOZWXNYJYRTMFH-YFKPBYRVSA-N 273.082 2.179 50 40 CEGB CC(C)S(=O)(=O)c1ccc(CC(=O)Cl)cc1 34936086 FWXJIFYXXJNDSI-UHFFFAOYSA-N 260.742 2.177 50 40 CEGB C=CCS/C(N)=C(C#N)/C(C#N)=C(\N)SCC=C 21601427 ODENPLWZGVPOEK-WGDLNXRISA-N 278.406 2.213 50 40 CEGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Cl 3887345 SYSSICKCUZXGKF-LURJTMIESA-N 258.661 2.169 50 40 CEGB N#CC(C#N)=C(N)[C@H](C#N)Cc1cccc(Cl)c1 6025502 RIFQOTSUJSGVRK-JTQLQIEISA-N 256.696 2.282 50 40 CEGB CCn1nc(/C(C#N)=C/c2ccccc2)c(C#N)c1N 408973998 UBTPTQACVPVZOW-XYOKQWHBSA-N 263.304 2.421 50 40 CEGB O=C1OC(=O)[C@@H]2C3CCC(C(=O)Nc4ccccc4)(CC3)[C@@H]12 97956216 MCYLMCCHGWYKOY-YDRNYJDUSA-N 299.326 2.131 50 40 CEGB O=C(N/N=C\c1ccc(Br)o1)c1cccnc1 13113894 KGSFDQDTZHSXDD-AUWJEWJLSA-N 294.108 2.201 50 40 CEGB CN1CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2C1 20238127 CAZGODBMGMHFCR-GFCCVEGCSA-N 285.372 2.331 50 40 CEGB O=C(NCCCC[C@@H](Cl)C(=O)O)c1ccccc1 2042585 WMOJTMKMDUWHEH-LLVKDONJSA-N 269.728 2.279 50 40 CEGB Cc1cccc(NNC(=O)c2ccc3c(c2)OCO3)c1 7737512 UWWIUCGSEOEBAR-UHFFFAOYSA-N 270.288 2.481 50 40 CEGB Cn1ncc2c1C(=O)NC[C@H]2O[Si](C)(C)C(C)(C)C 306129626 IINYDLKKZPFYML-SNVBAGLBSA-N 281.432 2.226 50 40 CEGB Cc1ccccc1C(=O)n1cc(C(=O)NN)c2ccccc21 216949700 XBPLQORMYDOLHL-UHFFFAOYSA-N 293.326 2.242 50 40 CEGB NNC(=O)c1cn(C(=O)Cc2ccccc2)c2ccccc12 216952160 NSDYJPGJJSGTCZ-UHFFFAOYSA-N 293.326 2.128 50 40 CEGB Cc1c(N2C[C@@H](C(=O)Cl)CC2=O)cccc1[N+](=O)[O-] 45953602 SPQBANBCXAPBBX-QMMMGPOBSA-N 282.683 2.022 50 40 CEGB Cc1occc1C(=O)N/N=C/c1ccc(N(C)C)o1 2768240 LFMQODNUCCCWFG-RIYZIHGNSA-N 261.281 2.011 50 40 CEGB C[C@H](Cl)C(=O)c1ccc(N2CCOCC2)cc1 575358563 FGHMSLIYASIITK-JTQLQIEISA-N 253.729 2.333 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 150813 NENLHUFWWOXTFW-IZZDOVSWSA-N 291.303 2.182 50 40 CEGB COc1ccc(Br)cc1/C=N/NC(=O)C1CC1 2780085 IBPJXHBCGRCEJD-VGOFMYFVSA-N 297.152 2.318 50 40 CEGB C/C(=N\NC(=O)Cc1c(C)[nH]c2ccc(C)cc12)[C@@H](C)O 4679837 UBVDQEVVIXDURJ-SGEFVQMOSA-N 287.363 2.200 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 95919641 HUKAEUUSRSNZRU-VIFPVBQESA-N 272.131 2.454 50 40 CEGB O=C1N[C@H](c2cccc(-c3ccccn3)c2)C(=O)O1 1772715015 PWBILDVHTCCAQP-GFCCVEGCSA-N 254.245 2.056 50 40 CEGB CCOC(=O)[C@@H](Cl)Cc1ccccc1[N+](=O)[O-] 568007 IYHGAAMMCHDABS-VIFPVBQESA-N 257.673 2.308 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1)c1cccc(O)c1 1463790 SWHKLSGNSNOKPB-CXUHLZMHSA-N 258.252 2.295 50 40 CEGB O=C(NCC1(c2ccccc2)CCC1)NNc1ncccn1 45372270 AGQBHZHKHQJROE-UHFFFAOYSA-N 297.362 2.225 50 40 CEGB CC(C)(C)OC(=O)NNC(=O)c1ccc2ccccc2n1 7975477 LXKCBXVBGJSXLI-UHFFFAOYSA-N 287.319 2.404 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc(O)cc2)cc1 516822 KOZOBASOGFEPJG-GZTJUZNOSA-N 268.316 2.393 50 40 CEGB CCSC1=C(C#N)[C@H](c2cccc(O)c2)CC(=O)N1 278381 GCZJRQIQHWPCNO-NSHDSACASA-N 274.345 2.484 50 40 CEGB COc1cccc(OC)c1/C=N/NC(=O)Cc1ccccc1 6583695 UMVTVKTYJOLHII-LDADJPATSA-N 298.342 2.397 50 40 CEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc2ccccc12 7783538 LKUBJPUMLIEDFK-HWQJWEFDSA-N 297.358 2.205 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2cccc(C)n2)c(C)c1 12740685 JAKLHNARJDWRCS-UHFFFAOYSA-N 283.331 2.082 50 40 CEGB C/C(Cc1ccccc1)=N\NC(=O)c1ccccn1 5382105 RXMLOBOQSXLEIS-SFQUDFHCSA-N 253.305 2.430 50 40 CEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccco1)C2 409205276 BCAIETDOLDIASF-QGMBQPNBSA-N 297.358 2.362 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1F 7959098 XUSGGULXGDMBET-UHFFFAOYSA-N 276.267 2.110 50 40 CEGB CC(C)N(C(=O)CCl)[C@H]1CC[C@H](N(C)C)CC1 252517232 CJTPXJRTMCBXLF-HAQNSBGRSA-N 260.809 2.335 50 40 CEGB CC(C)(C)OC(=O)NNC(=S)Nc1ccccc1 16221677 QZIMECUZYUFPAW-UHFFFAOYSA-N 267.354 2.413 50 40 CEGB C/C(=N/NC(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1 12362209 GLAZTOWXPFVQLN-YBEGLDIGSA-N 284.275 2.144 50 40 CEGB CCOc1ccc(OCc2cccc(C(=O)NN)c2)cc1 370207 WONSEVKBGPCPNN-UHFFFAOYSA-N 286.331 2.268 50 40 CEGB O=C(COc1ccc2ccccc2c1)NNC(=O)C1CCC1 32845880 XDRFFTBDFVRZGW-UHFFFAOYSA-N 298.342 2.166 50 40 CEGB CN(NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 45055444 AGZVRAGLEZSHIA-UHFFFAOYSA-N 256.309 2.068 50 40 CEGB CC(C)[C@H](Br)C(=O)NCc1ccco1 19513654 QMJZKMNLKRRENI-VIFPVBQESA-N 260.131 2.315 50 40 CEGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccccc1[N+](=O)[O-] 6336023 NGJYTQHVQCJDMC-HDNPNFOBSA-N 271.276 2.277 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1NC(=O)CBr 5814976 AMLWIFUJZWMXOF-UHFFFAOYSA-N 273.086 2.237 50 40 CEGB COC(=O)OC[C@@H](Br)C(F)(F)F 1083809788 JKNLWKORPFMISW-GSVOUGTGSA-N 250.998 2.095 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(O)c(O)c1 5568276 KLGDXFQOXBZWFR-HNNXBMFYSA-N 296.282 2.022 50 40 CEGB Cc1nn(C)c(NC(=O)c2ccccc2O)c1SC#N 1576619 SWVBMITVYINVKV-UHFFFAOYSA-N 288.332 2.260 50 40 CEGB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Cl 2647829 LUKTUOKMZDUYRP-SNVBAGLBSA-N 282.771 2.273 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(N2CCCCC2)cc1 4083491 UKSKDDXDZJCVHB-SFQUDFHCSA-N 270.336 2.041 50 40 CEGB O=C(CCl)NCC1CCN(Cc2ccccc2)CC1 79393668 ZWIWSTDDWFMWCX-UHFFFAOYSA-N 280.799 2.254 50 40 CEGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)O 32127559 XGUKQXIPHUSVIO-LREOWRDNSA-N 251.625 2.060 50 40 CEGB CC(C)N(Cc1ccc2c(c1)OCCO2)C(=O)CCl 32129578 XIVFFNDPMDETKQ-UHFFFAOYSA-N 283.755 2.434 50 40 CEGB ClC[C@@H](CBr)OCCBr 5368792 JFJHNCYCELQWFN-RXMQYKEDSA-N 280.387 2.400 50 40 CEGB Cc1cc(C)n(CC(=O)N/N=C/c2ccccc2Cl)n1 188869 HIIHZWIWHUQTNW-LZYBPNLTSA-N 290.754 2.304 50 40 CEGB COc1ccnc(NNC(=O)c2cc(Cl)ccc2F)n1 40510817 SHCWEIFBAXYPJR-UHFFFAOYSA-N 296.689 2.035 50 40 CEGB CC(C)(C(=O)/C(C#N)=C/c1cccs1)n1cncn1 1391411 FURQBNJIQFFEQB-UXBLZVDNSA-N 272.333 2.251 50 40 CEGB ClCc1nc(-c2ccc(N3CCCC3)nc2)no1 49452740 ZFUCANQQZXOCGA-UHFFFAOYSA-N 264.716 2.471 50 40 CEGB CN(NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 14161533 HYQLAYXGOUKFSX-UHFFFAOYSA-N 293.330 2.049 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)CCC2)[C@@H](O)c1ccccc1 25666519 OMWPCNMEBNUEHW-DAQNXSASSA-N 294.354 2.359 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2F)C1 408739662 YOCGSIRXAOXZBM-UHFFFAOYSA-N 276.311 2.333 50 40 CEGB CCn1cccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 408935136 MPXQEGUMIQADTP-XNTDXEJSSA-N 286.291 2.180 50 40 CEGB CCCCCC[C@H](C)NCCSS(=O)(=O)O 31343614 GELSHDSHYUNPQC-JTQLQIEISA-N 269.432 2.471 50 40 CEGB Cc1cccc(C(=O)N/N=C\c2ccccc2O)c1 95935795 FHGPTJCWDFRAEA-YBEGLDIGSA-N 254.289 2.465 50 40 CEGB CCN(c1ccccc1)N(CCC[N+](C)(C)C)C(C)=O 5471655 JCYUQMKHUJNYNC-UHFFFAOYSA-N 278.420 2.373 50 40 CEGB C[C@@](O)(CBr)C(=O)/C=C/c1ccccc1 2295854 WNVYRUXDJDDOKU-ABZNLYFFSA-N 269.138 2.415 50 40 CEGB CCOCCCNC(=O)/C(C#N)=C/c1ccc(C)o1 3370892 WVYDBPXUZYRFTL-FMIVXFBMSA-N 262.309 2.038 50 40 CEGB N#C/C(=C\c1ccccn1)C(=O)Nc1nccs1 6403042 DGGVOFFAJITINE-VQHVLOKHSA-N 256.290 2.084 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)CCc1ccccc1 4617025 LZWOBQOSRZPLHH-UHFFFAOYSA-N 296.370 2.399 50 40 CEGB C/C(=N\NC(=O)CN1CCCCC1)c1ccccc1 20248876 ROOLNSPLUFYEJF-DTQAZKPQSA-N 259.353 2.013 50 40 CEGB NNC(=O)c1cccn1-c1cccc2ccccc12 223742986 CGZKQBJDKXSSCB-UHFFFAOYSA-N 251.289 2.234 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1ccc(O)cc1 95938775 PVYNZEWYHBMYHM-WJDWOHSUSA-N 254.289 2.085 50 40 CEGB O=C(NN=Cc1ccccc1F)c1ccc(O)cc1 252444321 CODJSZHMNPBPGZ-UHFFFAOYSA-N 258.252 2.295 50 40 CEGB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCl 915626 HWTUYWOUWHLNKW-VIFPVBQESA-N 250.729 2.454 50 40 CEGB N#CC(NCc1ccccn1)=C1C(=O)c2ccccc2C1=O 100326760 DKWIVRBLQVSIDW-UHFFFAOYSA-N 289.294 2.028 50 40 CEGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccoc1 27062681 QDTGYGFAGDSJNR-GFCCVEGCSA-N 290.344 2.468 50 40 CEGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(C)o1 5364017 NFIZFHHTKUCQLN-XNTDXEJSSA-N 258.277 2.448 50 40 CEGB O=C(CCC1CCCCC1)NNC(=O)c1ccco1 8355352 WHFCTWXHBNRSQO-UHFFFAOYSA-N 264.325 2.401 50 40 CEGB CS(=O)(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 96765703 YYGYGXWBFZCRFH-POHAHGRESA-N 273.260 2.197 50 40 CEGB C/C(=N\NC(N)=O)c1ccc(N2CCCCCC2)cc1 21187575 LBQQNJZLIVUXJM-SFQUDFHCSA-N 274.368 2.459 50 40 CEGB C[C@@H](Oc1ccccc1)C(=O)NNCc1ccccc1 35653732 NASFBCGDDHBFNA-CYBMUJFWSA-N 270.332 2.275 50 40 CEGB O=C(Cc1cccnc1)N/N=C/c1cccc(Cl)c1 137913 FRKQAPPZBJVREY-LICLKQGHSA-N 273.723 2.428 50 40 CEGB CCc1ccc2[nH]c(=O)c(/C=C(\C#N)C(=O)OC)cc2c1 421510 GVHDDXUJESHQLK-MDWZMJQESA-N 282.299 2.170 50 40 CEGB CCCCCCO[S@@](=O)OC[C@H](Cl)COC 4628964 NCCJOQVYDWCTIV-HWPZZCPQSA-N 272.794 2.432 50 40 CEGB CC(=O)O[C@@H]1[C@H]2CC(C)(C)CC2=C(C=O)[C@@]2(C=O)C[C@]12C 103967922 MJXHKPSYLUUZDJ-JFOHDYCDSA-N 290.359 2.459 50 40 CEGB CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1 9109738 OVMVZYKMGMJVOY-VIFPVBQESA-N 288.328 2.117 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccncc1 59138223 RYWAJKKPHWBFKB-GZTJUZNOSA-N 284.319 2.039 50 40 CEGB Cc1cc(C)nc(NNC(=O)Cc2ccc(Cl)cc2)n1 11333965 WJADVTAYGNRGDV-UHFFFAOYSA-N 290.754 2.433 50 40 CEGB CCOC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1 9366386 IBPMZWAAFJBTCZ-UHFFFAOYSA-N 277.107 2.384 50 40 CEGB COc1ccc(OCC(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1 38586260 NGUISIISESAFAS-ZCQDQNASSA-N 286.331 2.142 50 40 CEGB O=C1c2ccccc2C[C@H]1I 44564190 YYCUBXRVXPVFPC-MRVPVSSYSA-N 258.058 2.229 50 40 CEGB CO[C@@H](C(=O)NNC(=O)c1cccc(C)c1)c1ccccc1 5418358 GHYQBTXWMZZTBW-OAHLLOKOSA-N 298.342 2.144 50 40 CEGB ClCc1noc([C@H]2COc3ccccc3O2)n1 20432742 ICQQDAVSNAADFQ-SECBINFHSA-N 252.657 2.321 50 40 CEGB in-vitro COc1ccc(/C=C(\C#N)C(=O)NC(C)C)c(OC)c1 4676660 JJTNNQYUVCHXEK-KPKJPENVSA-N 274.320 2.135 50 40 CEGB CCc1ccc(C(=O)N/N=C/c2ccncc2)s1 15934504 IACRPBGDIIREKE-OQLLNIDSSA-N 259.334 2.469 50 40 CEGB CS(=O)(=O)/C(C#N)=C/c1ccccc1Br 7714057 YCCBXERKFRAARH-RMKNXTFCSA-N 286.150 2.358 50 40 CEGB COc1ccc(/C(C)=N\NC(=O)Cc2cccn2C)cc1 28350897 ZUWMMOWNZJDJTK-ATVHPVEESA-N 285.347 2.117 50 40 CEGB COc1ccc(-c2nc(CCl)n[nH]2)cc1OC 85385542 ITDPPFLFDNNUDI-UHFFFAOYSA-N 253.689 2.228 50 40 CEGB C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)O 96222568 XVSPKVRBCPVKPR-DTWKUNHWSA-N 277.411 2.290 50 40 CEGB biogenic ICC1(c2ccccc2)COC1 95630841 LEGUZMOJTKNAOQ-UHFFFAOYSA-N 274.101 2.390 50 40 CEGB CCOC(=O)[C@@H](CC)C(C)=NNC(=O)c1ccccc1O 245231674 HTZKKYNNKBGMRZ-NSHDSACASA-N 292.335 2.087 50 40 CEGB Cc1nnn(C23C[C@H]4C[C@H](CC(CC(=O)Cl)(C4)C2)C3)n1 12866716 LUNMACCQJSXBFJ-WHCAJBEMSA-N 294.786 2.433 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C(=O)[C@H]42 169795870 DYJXAYHLFCEUAR-WWYFXOIZSA-N 253.139 2.097 50 40 CEGB O=C(CNc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 5338419 KOLVQZSAOOAFFF-LICLKQGHSA-N 298.302 2.157 50 40 CEGB CC(C)c1ccc(C2C(C#N)=C(N)OC(N)=C2C#N)cc1 279074 GZMLMLAMHDRBNU-UHFFFAOYSA-N 280.331 2.312 50 40 CEGB Nc1nc(CC(=O)NN=C2CCCCCC2)cs1 329140 SLINAPSKMBZWQQ-UHFFFAOYSA-N 266.370 2.094 50 40 CEGB O=C(Cc1cccs1)NNC(=O)c1ccc(Cl)cc1 3426012 MFFUEKJRQONUMM-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB CCOc1cccc(NC(=O)CBr)c1 35605124 CKURHKAZIYRODY-UHFFFAOYSA-N 258.115 2.419 50 40 CEGB CC1(C)CC(=O)[C@@H]2C(CCCBr)=NN[C@@H]2C1 228920193 ZKCBZBYIDMUQDC-MWLCHTKSSA-N 287.201 2.495 50 40 CEGB C/C(=N\NC(=O)c1ccccc1N)c1ccccc1O 13464796 ICFAPGRDMJZKNX-LICLKQGHSA-N 269.304 2.128 50 40 CEGB Cc1sccc1C1C(C#N)=C(N)SC(N)=C1C#N 20826926 FMZWMTPWSPYKQF-UHFFFAOYSA-N 274.374 2.275 50 40 CEGB COC(=O)NNC(=O)Nc1cccc(OCC(C)C)c1 47694916 WNDCTDYHLNUPKJ-UHFFFAOYSA-N 281.312 2.114 50 40 CEGB O=S(=O)(C[C@H](Cl)CCl)c1ccccc1 100241612 PVXUWQGYYQEFPK-MRVPVSSYSA-N 253.150 2.307 50 40 CEGB CN(C)N1C(=C(C#N)C#N)[C@H](c2ccccc2)C[C@@H]1C#N 13509977 AMENDCIFUITQOR-CABCVRRESA-N 277.331 2.146 50 40 CEGB O=C(/C=C/c1ccccc1)NNc1ncc(Cl)cn1 72427694 HLTRORIOPCGGDZ-VOTSOKGWSA-N 274.711 2.287 50 40 CEGB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCl 82167759 YJNXCBZPMBAIPU-QMMMGPOBSA-N 256.689 2.353 50 40 CEGB in-vitro CC(C)n1c(CCc2ccccc2)ccc1C(=O)NN 226028736 NUXOIMYXEQMTNZ-UHFFFAOYSA-N 271.364 2.458 50 40 CEGB COc1cccc2c1N([C@@H](C)C(=O)NN)C(C)(C)C=C2C 223195115 YYOTYXIVBADUAM-NSHDSACASA-N 289.379 2.076 50 40 CEGB COCc1c(/C=C\C#N)cc(OC)c(OC)c1OC 199857357 FATFVJBPMMUHAY-WAYWQWQTSA-N 263.293 2.396 50 40 CEGB Cc1nc(-c2ccccc2)sc1-c1cc(C(=O)NN)[nH]n1 45918772 LRUYEXFDNSCLOI-UHFFFAOYSA-N 299.359 2.112 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccccn1 5682504 QHLYNXNSZLWZSQ-SFQUDFHCSA-N 253.305 2.165 50 40 CEGB CC(=O)/C(C#N)=C1/NC(c2ccc3c(c2)OCO3)=CS1 16806056 VUMATFFCMNMBLN-UVTDQMKNSA-N 286.312 2.374 50 40 CEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccco1 2197817 TZAZQBPEONRNLR-ZDUSSCGKSA-N 286.287 2.090 50 40 CEGB O=C1CC(c2cccc(Br)c2)CC(=O)O1 100494484 YWVLFVQHEWEATF-UHFFFAOYSA-N 269.094 2.396 50 40 CEGB COc1ccc2c(=O)cc(C(=O)O)oc2c1CCl 243001 JOHKGHHWPZDVEU-UHFFFAOYSA-N 268.652 2.239 50 40 CEGB O=C(CCl)/N=c1\sccn1Cc1ccccc1 4801773 OXABYCTXZDBDAY-OWBHPGMISA-N 266.753 2.264 50 40 CEGB Cc1nc2ccccc2n1CC(=O)N/N=C\c1ccco1 4855068 HOGGWOAYHVNUBM-SXGWCWSVSA-N 282.303 2.088 50 40 CEGB NNC(=O)COc1ccc(Cl)cc1Cc1ccccc1 57352736 DIFMNHRLXNMEIJ-UHFFFAOYSA-N 290.750 2.300 50 40 CEGB CCCNC(=O)c1cccc(NC(=O)CBr)c1 35605313 SKXINYNNTWGWJK-UHFFFAOYSA-N 299.168 2.160 50 40 CEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](C#N)[C@H]1c1ccccc1Cl 66087963 SBBXHGXDYWUQFJ-NJZAAPMLSA-N 293.717 2.347 50 40 CEGB COc1cccc(C(=O)N/N=C\c2cccc(O)c2)c1 38204443 QOROLCVSUILTGJ-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB CCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1 41223919 HPLRMQCDPSVKSP-WOJGMQOQSA-N 283.331 2.431 50 40 CEGB O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@@H]1Cl 5133915 AVQDABCAQFMRFT-JGVFFNPUSA-N 268.144 2.468 50 40 CEGB O=C(Cc1ccccc1)N/N=C\c1cccc([N+](=O)[O-])c1 32119756 BEWCTIONMNBFAG-WJDWOHSUSA-N 283.287 2.288 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 57787076 WXWDWUICVGDSKH-LICLKQGHSA-N 294.270 2.230 50 40 CEGB CCOc1ccc(/C=N/NC(=O)c2ccco2)cc1O 2795994 VIVHHJYUBZIZGY-OQLLNIDSSA-N 274.276 2.148 50 40 CEGB CCNC(=S)NNC(=O)c1csc2ccccc12 13470882 JBEKILPXFUOPRK-UHFFFAOYSA-N 279.390 2.030 50 40 CEGB NNC(=O)c1ccc2nc(-c3ccccc3)oc2c1 62720032 SPRSTULXCYTDPV-UHFFFAOYSA-N 253.261 2.098 50 40 CEGB C[C@]1(C(=O)O)CC[C@@H](C(Cl)Cl)[C@]1(C)CO 575602802 XISNCNTUJWCECA-QUNWWBBNSA-N 255.141 2.290 50 40 CEGB CCOC(=O)c1ccc(NC(=O)NCCCl)cc1 1751516 YIMUQFZYIRNHBM-UHFFFAOYSA-N 270.716 2.224 50 40 CEGB C[N+](C)(C)CCOC(=O)c1cccc(CCl)c1 1720512 SUXMYHNCCPCRRK-UHFFFAOYSA-N 256.753 2.288 50 40 CEGB O=NN(CCCl)C(=O)/N=N\C(=O)N(CCCl)N=O 104227335 AEHXHTVLDOQEEI-KTKRTIGZSA-N 299.074 2.123 50 40 CEGB C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 95935864 IXOVSKPESQNSSR-YBEGLDIGSA-N 299.286 2.454 50 40 CEGB Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccccn2)c1 5009844 XXPBOPJXPWZIMZ-NCUBORBFSA-N 283.331 2.308 50 40 CEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccn1C 175510 DKRSBQYTZPNEQE-LICLKQGHSA-N 285.347 2.171 50 40 CEGB Cc1oc(-n2c(C)cc(/C=N/NC(N)=O)c2C)c(C#N)c1C 107712451 DPFDOQCSDIDGRU-CNHKJKLMSA-N 299.334 2.178 50 40 CEGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccncc1 5621155 YXGWPLJQAUZSQX-LICLKQGHSA-N 257.268 2.375 50 40 CEGB CCOc1ccc(C(=O)NNc2ncc(Cl)cn2)cc1 72427705 MKFUTRJKNKXZFG-UHFFFAOYSA-N 292.726 2.286 50 40 CEGB CC(=O)O[C@@H]1NC(=O)[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 195807945 GWHDKFODLYVMQG-PEXQALLHSA-N 287.432 2.032 50 40 CEGB CCCCCCC(=O)N/N=C1/C(=O)Nc2ccccc21 6050849 DLVKYKWWMLJMNS-UHFFFAOYSA-N 273.336 2.429 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccccn2)cc1[N+](=O)[O-] 5618289 ZJHALAWABZVMNR-CXUHLZMHSA-N 284.275 2.062 50 40 CEGB CN(C[C@H]1CCCN1Cc1ccccc1)C(=O)CCl 79393674 FZWVHNLRFWILCI-CQSZACIVSA-N 280.799 2.348 50 40 CEGB COCCOC(=N)/C(C#N)=C/Oc1ccc(F)cc1 5915120 ATGGOSGWYMIZFL-HIHYKPABSA-N 264.256 2.252 50 40 CEGB C/C=C/[C@@H]1OC[C@H](COC(CCl)CCl)O1 5371775 PGJVQSNRYLCRCO-MDCNRGEUSA-N 255.141 2.167 50 40 CEGB CN(C)C(=O)c1ccc(NC(=O)OCCCl)cc1 12413910 UZWJXGFFPIJVQT-UHFFFAOYSA-N 270.716 2.176 50 40 CEGB Cc1ccccc1COc1ccc(C(=O)NN)cc1 4201786 XTNWUMUMEHBVNL-UHFFFAOYSA-N 256.305 2.178 50 40 CEGB O=C(NNC(=O)C1CC1)c1cc(Cl)nc2ccccc12 12926034 GLOTZSWZXKDTRG-UHFFFAOYSA-N 289.722 2.059 50 40 CEGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1cccs1 4508712 BSUHTGMDZDEBDK-RSYJBZMQSA-N 282.365 2.443 50 40 CEGB NNC(=O)c1cccnc1Oc1cccc(Cl)c1 34929196 RWUJJOSKHLJUDH-UHFFFAOYSA-N 263.684 2.131 50 40 CEGB CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2c(C)cccc21 223194712 FNUWPFQYSFHXDJ-LBPRGKRZSA-N 273.380 2.375 50 40 CEGB O=C(CCl)Nc1cccc(Cl)c1N1CCOCC1 96300794 AHARZKFPHXQKST-UHFFFAOYSA-N 289.162 2.354 50 40 CEGB COc1ncc(Br)cc1C(=O)Cl 98213503 XTJBGMIQYVTYQG-UHFFFAOYSA-N 250.479 2.232 50 40 CEGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(N)=O 252495729 OXXVIWIEYJESTE-GHXNOFRVSA-N 263.256 2.211 50 40 CEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccnc2)c1 253187 SBOHICYUYDWNOW-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB CCOC(=O)c1[nH]c(C=C(C#N)C#N)c(C(C)=O)c1C 547716 NQHRFJCJSKWWIM-UHFFFAOYSA-N 271.276 2.133 50 40 CEGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 5222297 LFUMWKBYGCANEE-YSKWHIJTSA-N 268.316 2.260 50 40 CEGB Cc1ccsc1C(=O)NNC(=O)c1ccc(F)cc1 8942078 WSWDPRLTPCTHRW-UHFFFAOYSA-N 278.308 2.270 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 37062768 MBGKPEVAGUIZED-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB CCOC(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12 24646925 XHBGUMIVRDFBFF-UHFFFAOYSA-N 275.308 2.176 50 40 CEGB O=C(N/N=C/c1c(F)cccc1F)c1ccccc1O 3270018 PKMMQNFZMSRAJS-CAOOACKPSA-N 276.242 2.434 50 40 CEGB Cn1cccc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)O)cc1 57398729 VOGIDDMVSVKFOS-XFXZXTDPSA-N 295.298 2.269 50 40 CEGB O=C(N/N=C\c1ccncc1)c1ccc(Cl)cc1 30822086 HDBLJWPNSZISRV-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3173788 BFYVCHHZNHGGCC-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408774825 DDQUAICVVORHQQ-ZROIWOOFSA-N 298.342 2.139 50 40 CEGB O=c1c2c(nc3sccn13)[C@@H](Br)CC2 35682682 QMLUNEGJMYEDAO-LURJTMIESA-N 271.139 2.138 50 40 CEGB CC(C)(C)OC(=O)N[C@@H]1COC[C@@H](Br)C1 952958911 OGMLCLNFCCCNRV-YUMQZZPRSA-N 280.162 2.064 50 40 CEGB Cc1c(C(=O)NN=Cc2ccccc2)sc(N)c1C#N 16249621 RYZUVXBWEGCMQY-UHFFFAOYSA-N 284.344 2.274 50 40 CEGB CCOC(=O)N/N=C(/Cc1ccccc1)OCC 8665911 ZTGRLRHFJBXNBN-OWBHPGMISA-N 250.298 2.325 50 40 CEGB O=C(Cc1ccccc1Cl)NNC(=O)c1cccs1 13137388 CIDNFVAYSRQIQB-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB CC1(C)CC(=O)[C@H]2C(CCCBr)=NN[C@H]2C1 228920157 ZKCBZBYIDMUQDC-ONGXEEELSA-N 287.201 2.495 50 40 CEGB NNC(=O)c1cc2cc3cc(F)ccc3nc2s1 223453681 GFHPWSUEHNFTPI-UHFFFAOYSA-N 261.281 2.192 50 40 CEGB COc1ccccc1/C=N/NC(=O)[C@@H](C#N)c1ccccc1 8169065 SBVYJIXVFNRXBN-UZUMKDMXSA-N 293.326 2.453 50 40 CEGB O=S1(=O)C[C@H](Cl)[C@H](Sc2ccccc2)C1 3160686 OUQPIAKLCXWCJT-VHSXEESVSA-N 262.783 2.183 50 40 CEGB in-vitro NNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1646305 KYCCKYJOAYLIJY-UHFFFAOYSA-N 289.316 2.350 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 32064543 KAZKMEWEGJWMSP-SXGWCWSVSA-N 287.250 2.498 50 40 CEGB CCOc1ccc(/C=C(\C#N)C(N)=O)cc1Br 95952244 LPQYVQSXCBGMPP-WEVVVXLNSA-N 295.136 2.240 50 40 CEGB CCOC(=O)N/N=C1\C(O)=Nc2c1ccc(C)c2C 24035822 UKUGXZFIRAWSOT-UHFFFAOYSA-N 261.281 2.355 50 40 CEGB C/C=C\C(=O)OC[C@H](Br)CBr 100242240 JRCKVRQGCZBOAD-VROIDLATSA-N 285.963 2.264 50 40 CEGB Cn1ncc2c1C(=O)NC[C@@H]2O[Si](C)(C)C(C)(C)C 306129625 IINYDLKKZPFYML-JTQLQIEISA-N 281.432 2.226 50 40 CEGB CN(Cc1ccc(Br)nc1)C(=O)CCl 79421642 BPIYBRGQBPIMBS-UHFFFAOYSA-N 277.549 2.041 50 40 CEGB C[C@@H](Cl)C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 158306 KUAMAMZUHNQQKR-LLVKDONJSA-N 291.782 2.444 50 40 CEGB O=C(NNC(=O)C1CCCC1)c1ccc(Cl)cc1 3560875 ZCXGMRRFOVQDAT-UHFFFAOYSA-N 266.728 2.291 50 40 CEGB N#C/C(=C/c1ccccc1)C(=O)Nc1nncs1 3258137 CBLBCHIQSACVGE-POHAHGRESA-N 256.290 2.084 50 40 CEGB NNC(=O)c1ccc(-c2ccc(Br)cc2F)o1 57353732 CXOINVHGIUHEGE-UHFFFAOYSA-N 299.099 2.452 50 40 CEGB CC[C@@H](C)C(=O)OC(=O)c1ccc([N+](=O)[O-])cc1 100269776 GJSXUVHDUMTLLV-MRVPVSSYSA-N 251.238 2.324 50 40 CEGB O=C(NN=C1CCCCCC1)c1n[nH]c(=O)c2ccccc12 6211091 QVSUVVBGQFUTJZ-UHFFFAOYSA-N 298.346 2.363 50 40 CEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408805991 DMGYQXGRZCDNOL-PQTFEYQYSA-N 272.304 2.237 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c(C)o1 5823368 ADJITMDXJLXXPJ-UHFFFAOYSA-N 276.267 2.110 50 40 CEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 32064544 UKJLQHFHXYZPJM-SXGWCWSVSA-N 287.250 2.498 50 40 CEGB CN(C)S(=O)(=O)c1ccc2oc(CCl)cc2c1 218309887 APGCYAMELVRQJY-UHFFFAOYSA-N 273.741 2.422 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1 5618427 FPIVECMAYLXFEW-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB Cc1nc(NC(=O)CCl)sc1C(=O)OCC(C)C 2695460 HPNZTJFODBZABD-UHFFFAOYSA-N 290.772 2.442 50 40 CEGB Cc1cc(C(=O)NNC(=O)[C@@H]2CC=CCC2)c(C)o1 12808563 JAURDDABSWWMBF-LLVKDONJSA-N 262.309 2.014 50 40 CEGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccco1 17363337 FYLMDJAXPCVEGF-UHFFFAOYSA-N 295.298 2.145 50 40 CEGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NC(C)C)c1 40889262 VNIWWUBKHGAEPT-GHXNOFRVSA-N 274.320 2.135 50 40 CEGB C[C@@H]1CC(C)(C)N(CC(=O)NN)c2ccc(Cl)cc21 223189646 QGRBIVDAEMFUKD-SECBINFHSA-N 281.787 2.422 50 40 CEGB CO[C@]12CCCC3(OCCO3)[C@@H]1[C@H](Cl)[C@@H]2Cl 5049660 QXASNTBOHVRXSO-QCLAVDOMSA-N 267.152 2.143 50 40 CEGB CCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1 1702889 OGDVUZIBIBXCDI-XNTDXEJSSA-N 264.325 2.344 50 40 CEGB CC(C)C(=O)OC[C@@H](Br)CBr 1676092 XFXFJLKPISDTFV-LURJTMIESA-N 287.979 2.344 50 40 CEGB CN(C)CCOC(=O)c1ccccc1CBr 1720501 CVJRGPJTLXUUCI-UHFFFAOYSA-N 286.169 2.300 50 40 CEGB NNC(=O)CCCSc1nc2ccccc2s1 2738730 FJJCDHQKOINIOR-UHFFFAOYSA-N 267.379 2.159 50 40 CEGB O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1 4200143 LLMHYOYQHBITIV-UHFFFAOYSA-N 275.135 2.120 50 40 CEGB N#C/C(=C/c1ccc(Br)o1)C(N)=S 32039598 IDIFKESFDKLWHK-HYXAFXHYSA-N 257.112 2.235 50 40 CEGB C/C(CCc1cnc2ccccc2c1)=N/NC(N)=O 17001605 DTZPVSIBEUROFC-YVLHZVERSA-N 256.309 2.212 50 40 CEGB CCOC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 7144052 WXBDNGMXLWOSIV-XYOKQWHBSA-N 286.287 2.068 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(N)cc2)cc1 12362371 HHUIEIDTWJMGIB-XDHOZWIPSA-N 297.358 2.360 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccccn2)cc1Cl 5795276 VXWUTTWFUBYENJ-UHFFFAOYSA-N 289.722 2.118 50 40 CEGB O=C(CN1CCCCC1)NN=C1CCCCCC1 408870393 VCYAYXGLJYNSLV-UHFFFAOYSA-N 251.374 2.299 50 40 CEGB O=C(N/N=C1/CCc2c(O)cccc21)C1CCCC1 84494321 RLMQBZSCNSCGIM-SSZFMOIBSA-N 258.321 2.349 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 136854386 KRWVMPMOIJUORO-MJVIPROJSA-N 276.380 2.316 50 40 CEGB Cn1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)n1 132332 PLSJWMYTQVSZOV-VIZOYTHASA-N 297.145 2.491 50 40 CEGB CC1(C)CC(=O)C/C(=N/NC(=O)c2ccccc2O)C1 100007360 RYRVYJATPSUNNL-YBEGLDIGSA-N 274.320 2.257 50 40 CEGB CCOC(=O)N/N=C/c1ccc(N(C)CCC#N)cc1 1743932 BFUZNBPCAZYVOF-LFIBNONCSA-N 274.324 2.116 50 40 CEGB NCCc1ccc(N(CCCl)CCCl)cc1 1763157 PJKCNYLAFQAJDD-UHFFFAOYSA-N 261.196 2.472 50 40 CEGB in-vitro Cc1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)c(C)c1 8733167 AFVOUBVPBZTPOY-NSHDSACASA-N 282.771 2.376 50 40 CEGB CC(C)C(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1 6510408 WFMAIFLEJQEWHL-UHFFFAOYSA-N 290.241 2.002 50 40 CEGB Cc1cc(C(=O)NNC(=O)CC(C)C)c2ccccc2n1 9453529 JWJYLAUWJZYWEW-UHFFFAOYSA-N 285.347 2.350 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2ccco2)c2ccccc2n1 8354990 LTNSJRSMKZSUMQ-UHFFFAOYSA-N 295.298 2.211 50 40 CEGB CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)c(OCC)c1 408845900 NIUQYXYJIPOXSS-LCYFTJDESA-N 288.347 2.479 50 40 CEGB O=C(NNC(=O)c1ccccc1F)c1ccc(F)c(F)c1 12614600 WPQJIJBNOYRZSP-UHFFFAOYSA-N 294.232 2.179 50 40 CEGB COc1ccc(NC(=O)C(Cl)Cl)cc1NC(C)=O 1699693 PMBLHFDTBHVQTN-UHFFFAOYSA-N 291.134 2.396 50 40 CEGB COC(=O)N/N=C/c1cc(Br)ccc1F 7947683 WFHQGEDMZFJHJP-LFYBBSHMSA-N 275.077 2.278 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)CNc2ccccc2)c1 4045504 RGONGTHRNWBYGW-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB CCn1ncc(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398327 GZEQNSPYNMNQJG-CYBMUJFWSA-N 298.346 2.026 50 40 CEGB CNC(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1 56375185 XUGXVQUZOUAOGY-UHFFFAOYSA-N 293.710 2.174 50 40 CEGB COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1 8116340 WWOICIFCYHVSEI-QUYZQLMHSA-N 293.326 2.453 50 40 CEGB CCCc1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1cccc(O)c1 5686246 UXDJUUHHZQRKGW-CYBMUJFWSA-N 296.330 2.286 50 40 CEGB CCOC(=O)c1ncc(CBr)s1 49581986 UFBFCSKCPCZCLE-UHFFFAOYSA-N 250.117 2.215 50 40 CEGB Cn1cc([C@H]2C[C@H]2C(=O)NNc2cccc(Cl)c2)cn1 68422829 LWMHZHRSMGKNBY-CHWSQXEVSA-N 290.754 2.320 50 40 CEGB CS(=O)(=O)/C(C#N)=C\c1cc(Br)cs1 96765730 RHVOFSDKHZLQHC-BAQGIRSFSA-N 292.179 2.420 50 40 CEGB COc1ccc(O)c(/C=N\NC(=O)Cc2ccc(C)cc2)c1 409358325 DUTGVECDNQLEBE-WQRHYEAKSA-N 298.342 2.402 50 40 CEGB COc1ccc2ccc(OC)c(/C=N/NC(C)=O)c2c1 409019879 KRDFZWXWODGRMI-CXUHLZMHSA-N 272.304 2.327 50 40 CEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2)c1C 3151049 XGCCJLAEBHZUFD-WOJGMQOQSA-N 295.342 2.392 50 40 CEGB CCCCCCOCCOCCOC[C@H](O)CCl 5418139 VSWIVOGEYZLTFI-CYBMUJFWSA-N 282.808 2.216 50 40 CEGB CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4565404 HGFPZZHYJCKJAW-UHFFFAOYSA-N 263.175 2.077 50 40 CEGB O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1 20268514 XWEWOHNCCBHQFE-UHFFFAOYSA-N 293.219 2.285 50 40 CEGB in-vitro CCn1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cn1 611223 KWYIHWARNOBKIM-RIYZIHGNSA-N 287.344 2.241 50 40 CEGB COc1cc([N+](=O)[O-])c2nccc([C@@H](O)CCl)c2c1 1709729 KDTBYHNUMXZCKC-NSHDSACASA-N 282.683 2.424 50 40 CEGB Cn1cccc1CC(=O)N/N=C1/CCCc2ccccc21 33959836 LNFSKMLAVRVHIW-VLGSPTGOSA-N 281.359 2.424 50 40 CEGB COc1cc2c(cc1OC)[C@H](NNC(C)=O)CCCC2 4963790 HEBBCOJBGOQGAR-CYBMUJFWSA-N 278.352 2.112 50 40 CEGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CC=CCC2)cc1 12750933 WGKOPLVLVMYYPB-LBPRGKRZSA-N 288.347 2.203 50 40 CEGB CCCN1C(=O)COc2ccc(C(=O)CCl)cc21 11770642 CLBCHJQCOSGDHS-UHFFFAOYSA-N 267.712 2.244 50 40 CEGB COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 3573060 IQEFDHSWNZFETE-GZTJUZNOSA-N 282.299 2.237 50 40 CEGB O=C(CCl)NCCc1nc2ccccc2s1 4206920 HALDVULRGHGXNJ-UHFFFAOYSA-N 254.742 2.194 50 40 CEGB Cc1c(C#N)c(NC(=O)CCl)n(C[C@@H]2CCCO2)c1C 4205561 RUMMPBZURAHDSD-NSHDSACASA-N 295.770 2.333 50 40 CEGB O=C(OC[C@H](Br)C(F)(F)F)n1ccnc1 1083812583 VLMFGPWCPBIEBK-YFKPBYRVSA-N 287.035 2.194 50 40 CEGB COc1cc(C(=O)CBr)cc(OC)c1OC 5752780 CIYTXNZZTOVXKY-UHFFFAOYSA-N 289.125 2.290 50 40 CEGB CCCCOC(=O)NNC(=O)CSCc1ccccc1 18192300 NLHYPEYQZRZQDV-UHFFFAOYSA-N 296.392 2.477 50 40 CEGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccco1 3157861 SVZFCJMPOXVZDP-OVCLIPMQSA-N 278.695 2.462 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@@H]2C=CC[C@@H]12 4155367 AXUNWCLLAFEFJM-PKSOXUJMSA-N 285.303 2.206 50 40 CEGB C/C(=N\NC(=O)NC1CCCC1)c1scnc1C 84065546 HNCADKAJDCDDLC-OQLLNIDSSA-N 266.370 2.417 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2F)o1 408994637 GWDHVZKCACWWBJ-CXUHLZMHSA-N 275.283 2.249 50 40 CEGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc2ccccc12 32116925 USABUEPMTJTEMJ-YBFXNURJSA-N 297.358 2.062 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cn1 30802896 YFHOWRAYZSESCQ-ZDLGFXPLSA-N 282.347 2.220 50 40 CEGB Cc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1 216949982 IIFVOYBBCIHBFT-UHFFFAOYSA-N 293.326 2.242 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccc(O)cc1 498020 FPUBYLYJZGUJRO-SFQUDFHCSA-N 268.316 2.475 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])o1 5618436 CQDWBZMQUKWAAZ-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB COC(=O)/C(C#N)=C(\Nc1ccccc1)N1CCCCC1 16958696 XDXQRIITSBUTGK-CCEZHUSRSA-N 285.347 2.493 50 40 CEGB C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(O)c1 6432418 CFWHYBXAHBESHO-YRNVUSSQSA-N 259.261 2.037 50 40 CEGB C[C@H](Cl)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 35222636 MBSXVKJHRIBPIO-IUCAKERBSA-N 269.728 2.262 50 40 CEGB in-vitro O=C(CCl)NCc1cc(Br)cs1 60273327 XPFDDGKYJPRDAF-UHFFFAOYSA-N 268.563 2.366 50 40 CEGB in-vitro CCCCCC(=O)N/N=C1/C(=O)Nc2ccccc21 5093788 MOSNHDWATFFSBT-UHFFFAOYSA-N 259.309 2.039 50 40 CEGB Cc1occc1C(=O)NNC(=O)/C=C/c1ccccc1F 9365681 KQEHHPJQGZFGQL-VOTSOKGWSA-N 288.278 2.202 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccccc1OCC(C)C 408600776 GBQDRGHARUYNKR-MDWZMJQESA-N 258.321 2.374 50 40 CEGB O=C(NNC(=S)S)c1ccc(Cl)cc1Cl 96191801 CNRZPOAVBYGDOL-UHFFFAOYSA-N 281.189 2.443 50 40 CEGB CC[C@H]1CN1P(=O)(N1CCCC1)N1C[C@@H]1CC 95605468 PBYOMSQTJQONJJ-RZTSDLSZSA-N 257.318 2.379 50 40 CEGB COc1cccc2c1N([C@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 260622331 SVOBVNQYHPHFOT-WDEREUQCSA-N 291.395 2.166 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1ccc(F)cc1F 100585336 CLQDEQXHKAZTBH-FPLPWBNLSA-N 252.220 2.347 50 40 CEGB O=C(Cl)c1nnc2sc(-c3ccccc3F)nn12 57332558 SSJQLPBDTXPJIL-UHFFFAOYSA-N 282.687 2.371 50 40 CEGB N#C/C(=C\NC(N)=S)C(=O)c1ccc2ccccc2c1 104304479 UQRBADAUCRZJRV-UKTHLTGXSA-N 281.340 2.263 50 40 CEGB Cc1ccc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c(C)c1 8143549 UCAVBFXZCQWSGJ-CYBMUJFWSA-N 272.348 2.421 50 40 CEGB CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2ccccc21 260625009 XVYBKRIPOLBGGU-LLVKDONJSA-N 259.353 2.067 50 40 CEGB O=C(CSc1ccccn1)N/N=C/c1ccccc1F 195908 SWHDOUKSXVWYQS-RQZCQDPDSA-N 289.335 2.463 50 40 CEGB COc1ccc2[nH]c(/C=C(\C#N)S(C)(=O)=O)cc2c1 12952800 HIJQBHFXHYJFFM-KPKJPENVSA-N 276.317 2.086 50 40 CEGB C[C@](O)(CBr)C(=O)/C=C/c1ccccc1 2295856 WNVYRUXDJDDOKU-GUOLPTJISA-N 269.138 2.415 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(N2CCCC2)c(C)c1 4083493 LFVJUONDBMSTMS-GXDHUFHOSA-N 269.348 2.248 50 40 CEGB C/C(Cn1c(C(F)(F)F)nc2ccccc21)=N/NC(N)=O 4003161 WHDVOJOHCIWBTF-WSVATBPTSA-N 299.256 2.099 50 40 CEGB C=CCn1c(C)c(/C=N/NC(=O)CC#N)c2ccccc21 4083680 MCZUWWWESAFGTH-WOJGMQOQSA-N 280.331 2.500 50 40 CEGB CCN(CC)CCN1C(=O)C(=C(C#N)C#N)c2ccccc21 5245581 LPRJUXVNNVWFCI-UHFFFAOYSA-N 294.358 2.176 50 40 CEGB CC1=C(C#N)[C@@](Nc2cc(C)ccn2)(C(F)(F)F)C(=O)N1 4718007 WSMRMIJSZNSBQQ-LBPRGKRZSA-N 296.252 2.030 50 40 CEGB O=C(Cc1ccsc1)NNC(=O)c1ccccc1Cl 13004681 ZTVUWLQUPBYZKY-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB O=C(OCCCl)c1ccccc1C(=O)OCCCl 1712647 ILSHUTZNPABZPQ-UHFFFAOYSA-N 291.130 2.478 50 40 CEGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2ccccn2)cc1 5025113 GPEKGSHCZAJBLI-WQRHYEAKSA-N 297.314 2.161 50 40 CEGB O=C(C[C@H]1C=CCC1)NNC(=O)c1ccc2ccccc2n1 14235958 KQGHVLGYPCTQFX-LBPRGKRZSA-N 295.342 2.352 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 33311270 NMILENCTSNQFSZ-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB C/C(Cc1ccccc1)=N\NC(=O)c1ccncc1 13469963 DTYJYFJESPLZEJ-SFQUDFHCSA-N 253.305 2.430 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2N)c(OC)c1 169894053 UAXCJKBFNPYGEG-ZDLGFXPLSA-N 299.330 2.050 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1 498016 BZCDZLXUVDLXPE-XNTDXEJSSA-N 287.275 2.271 50 40 CEGB Cc1cc(=O)c2c(o1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 125732 ZHSMOQLOQJSJPJ-ZDUSSCGKSA-N 298.273 2.306 50 40 CEGB O=C(NNc1ccccc1)c1ccc([N+](=O)[O-])cc1 242249 UMNDVZQMQWFSOH-UHFFFAOYSA-N 257.249 2.352 50 40 CEGB COc1cccc(C(=O)N/N=C\c2ccccc2O)c1 103727556 UDFWHIKJCOVOMH-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB O=C1C(=O)N(CCCBr)c2ccccc21 2270623 PEIZUEQKUGACKB-UHFFFAOYSA-N 268.110 2.001 50 40 CEGB CCOC(=O)/C(C#N)=C1/C(=O)N(C(C)C)c2ccccc21 409147475 YGSXYMJEXDVKMS-WYMLVPIESA-N 284.315 2.282 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 33303395 FUXMMBGEXQTCRJ-ZSOIEALJSA-N 273.248 2.260 50 40 CEGB COc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C)C(=O)NN 223830396 DNWNTFMHHZTNAW-MNOVXSKESA-N 291.395 2.166 50 40 CEGB Cc1ccccc1C(=O)Oc1c(C)cc(C(=O)NN)cc1C 256051939 LEHYCFNXBIIXMF-UHFFFAOYSA-N 298.342 2.435 50 40 CEGB COc1ccc(O)c(/C=N/NC(=O)c2ccc(C)cc2)c1 562562 XHBVDHUVNKTCOV-LICLKQGHSA-N 284.315 2.473 50 40 CEGB OC[C@](F)(CBr)COCc1ccccc1 118339087 MVYZNCSZNYXJJL-LLVKDONJSA-N 277.133 2.299 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2nn(C)cc2Cl)cc1 482960 KSYSUSBXTGLVJT-VIZOYTHASA-N 276.727 2.146 50 40 CEGB Cc1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCOCC1 34776847 JOVYLLOFIXGPII-LLVKDONJSA-N 282.771 2.397 50 40 CEGB N#C[C@@H](Br)CNC(=O)Oc1ccccc1 1586850 TVLWWNQCKFZNHG-MRVPVSSYSA-N 269.098 2.062 50 40 CEGB CCCC[C@@H](N)C(=O)Oc1ccc([N+](=O)[O-])cc1 100116080 ZCYAXSMOAFDRPQ-LLVKDONJSA-N 252.270 2.018 50 40 CEGB CC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 8984639 VIQDMTROEAZYQX-SECBINFHSA-N 285.347 2.074 50 40 CEGB CSC1=NC=C(C#N)C2=N[C@@H](c3ccccc3)NN12 5496392 AUBPLERNDSREIM-LLVKDONJSA-N 269.333 2.044 50 40 CEGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 1467455 IYUYQSNOQMFGKA-GHXNOFRVSA-N 297.270 2.411 50 40 CEGB O=C(Nc1nccs1)N1CCSSCC1 95450177 UKHKRAHLFOPLAU-UHFFFAOYSA-N 261.397 2.372 50 40 CEGB Cc1ccc(F)c(S(=O)(=O)/C(C#N)=C2/CCCCN2)c1 67340875 XIGODHVDBFANAF-OWBHPGMISA-N 294.351 2.417 50 40 CEGB O=C(COc1ccccc1Cl)N/N=C/c1ccncc1 94424 IJVGXGRKJOGKSS-RQZCQDPDSA-N 289.722 2.264 50 40 CEGB CCOc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1 3184314 XNKAXOOTBCPKIZ-MHWRWJLKSA-N 257.293 2.177 50 40 CEGB O=C(CCC1CCCC1)NNC(=O)c1ccccc1O 12998253 OKHMSJBLFXAZDT-UHFFFAOYSA-N 276.336 2.124 50 40 CEGB N#C/C(C(N)=O)=C(\C(=O)c1ccccc1)c1ccccc1 17126316 QTXYURJNLMYVDI-CCEZHUSRSA-N 276.295 2.332 50 40 CEGB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cl 3281073 SDQJJVRTODMCSU-LURJTMIESA-N 258.661 2.169 50 40 CEGB CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 6411677 QCEUYZONIABHLN-SECBINFHSA-N 289.316 2.296 50 40 CEGB N#Cc1ccc(OCC(=O)N/N=C/[C@H]2CC=CCC2)cc1 5506410 SWNZBEFPZYJBGZ-BGARDKSCSA-N 283.331 2.395 50 40 CEGB CCOC(=O)c1cc(C(=O)Cl)nn1CC(C)C 408717817 VTEFAFOBFVMEBJ-UHFFFAOYSA-N 258.705 2.095 50 40 CEGB C[C@H](CC(=O)NNC(=O)c1ccncc1)c1ccccc1 13004680 KJOWFSHNLLZBNC-GFCCVEGCSA-N 283.331 2.036 50 40 CEGB O=C(NNC(=S)NC1CCCCC1)NC1CCCCC1 6295560 PRDTZVDXKDPXHE-UHFFFAOYSA-N 298.456 2.330 50 40 CEGB COc1cc(OC)c(C(=O)CBr)c(OC)c1 2576092 MWODTVPKPLLOOE-UHFFFAOYSA-N 289.125 2.290 50 40 CEGB CCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6178849 OVSWRZDXUSEBMK-YFHOEESVSA-N 266.247 2.331 50 40 CEGB CC[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCC2 25148062 ZYBCSGYSXQMWCJ-VIFPVBQESA-N 280.393 2.434 50 40 CEGB Cc1ccccc1NC(=O)CI 1733384 PELYSUXCWVOHPG-UHFFFAOYSA-N 275.089 2.369 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(-c2ccc(C#N)cc2)o1 409021813 ZSOUNVISKRULHU-VCHYOVAHSA-N 278.271 2.182 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(C)o2)c(O)c1 409393545 YFZIMVJLBAPILC-OVCLIPMQSA-N 274.276 2.066 50 40 CEGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1Cc1ccco1 7154693 ZFDWZJRZAGMQQM-NTUHNPAUSA-N 269.304 2.139 50 40 CEGB CC(C)(C)OC(=O)N1CC(OCCBr)C1 66309277 DXZWLAJPGMNMBR-UHFFFAOYSA-N 280.162 2.017 50 40 CEGB CCOC(=O)[C@]1(CCBr)CCCC1=O 34342937 JSNXGRLAIMVAEA-JTQLQIEISA-N 263.131 2.074 50 40 CEGB C[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@]31C)[C@@H]2I 103859455 MCUBUFTVKLBTBK-BEESJRNYSA-N 292.116 2.008 50 40 CEGB CC(C)CC(=O)N/N=C(\CCC(=O)O)c1ccccc1 4155904 BIHPHZBGSNAUSW-DTQAZKPQSA-N 276.336 2.418 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1 16990113 NCRWHXGCGQKOBA-UHFFFAOYSA-N 261.281 2.184 50 40 CEGB Cc1ccccc1NC(=O)NNC(=O)c1ccco1 16989864 PIJLQEXOTXVABR-UHFFFAOYSA-N 259.265 2.055 50 40 CEGB Cc1cc(C)nc(N2N[C@H](c3ccccc3)C(C#N)=C2O)n1 4992879 QFZYUSOJPCQAEU-CQSZACIVSA-N 293.330 2.453 50 40 CEGB O=C(NNC(=O)[C@@H]1CC12CCC2)[C@H]1C[C@@H]1c1ccccc1 3181578 VYNAFOKLOJTNBO-RDBSUJKOSA-N 284.359 2.128 50 40 CEGB Cc1cccc(C(=O)NN=C(CCl)CCl)c1O 100244317 IGTSCYBSRWAPHL-UHFFFAOYSA-N 275.135 2.264 50 40 CEGB CC(C)CC(=O)NNC(=O)c1cc2c(s1)CCC2 12770675 KLRRWGSUQVDUGS-UHFFFAOYSA-N 266.366 2.044 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C5=C(CCCC5)[C@@H]43)[C@@H]12 104281416 TWPKKKBHBOVJOC-QEHJDLSMSA-N 256.301 2.235 50 40 CEGB COc1ccc(C/C(C)=N/NC(=O)c2cccnc2)cc1 4680249 XNDUFPLSXSEQMQ-LDADJPATSA-N 283.331 2.439 50 40 CEGB COc1cc(CN(C)C(=O)CCl)ccc1OC(F)F 7986265 RABJGVJKEXOTPO-UHFFFAOYSA-N 293.697 2.494 50 40 CEGB CC(C)(C)c1cnc(NC(=O)CBr)o1 72220088 ZMOIZBQQUURLBM-UHFFFAOYSA-N 261.119 2.306 50 40 CEGB COCCn1/c(=N/C(=O)CCl)sc2ccccc21 13207291 INHGIFUKNVIPDY-OWBHPGMISA-N 284.768 2.015 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 5644489 GUIJXVQFNMADGG-XNTDXEJSSA-N 272.348 2.480 50 40 CEGB C[C@@H](Cl)C(=O)Nc1cc2ccccc2oc1=O 1614061 CJRADKRDWYPQTF-SSDOTTSWSA-N 251.669 2.359 50 40 CEGB Cc1cc(C(=O)N/N=C/[C@H](C)c2ccccc2)[nH]n1 4679184 NTZMRUPYGNLHOV-CNOAHFENSA-N 256.309 2.237 50 40 CEGB CN(C)N1C(=C(C#N)C#N)[C@@H](c2ccccc2)C[C@H]1C#N 4728875 AMENDCIFUITQOR-LSDHHAIUSA-N 277.331 2.146 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2cc3ccccc3[nH]2)n1 69564783 WJZRVBVJAPLRNG-UHFFFAOYSA-N 281.319 2.332 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)c1cc(F)ccc1F 8771795 XQJCNVHICANFPP-UHFFFAOYSA-N 290.269 2.348 50 40 CEGB N#C/C=C/CSc1nnc(NC[C@H]2CCCO2)s1 84136756 GQYOESJGWBWCJR-GPYPMJJRSA-N 282.394 2.301 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1 252754 BXROAFSHDIODLZ-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB N#C/C(=N/NC(=O)c1ccncc1)c1ccc(Cl)cc1 17138960 UBZBDWVLSQRBNU-AQTBWJFISA-N 284.706 2.393 50 40 CEGB O=C(NNC(=O)c1ccccc1F)c1ccccc1F 2022287 YHTGZECLQXBTHD-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB O=C(O)c1ccccc1C(=O)NNc1ccc(F)cc1F 1404491 XXTITDWHGXJGMK-UHFFFAOYSA-N 292.241 2.420 50 40 CEGB Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1 8733083 GCWBHOQSJOBTCS-SNVBAGLBSA-N 268.744 2.067 50 40 CEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C)cc1 100927492 MQVCVOUXCSLJQP-ZROIWOOFSA-N 281.315 2.130 50 40 CEGB C[C@H](Cl)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 5175364 LVLQKRKPDYCVHR-JGVFFNPUSA-N 267.712 2.240 50 40 CEGB CN1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O 409124856 KZOIXMXTNOJFIW-OAHLLOKOSA-N 279.343 2.417 50 40 CEGB N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1C#N 66087977 PINIDGPABYMYMH-UMVBOHGHSA-N 293.717 2.347 50 40 CEGB CCS(=O)(=O)[C@H](Cl)C(=O)c1ccccc1F 96517807 TZLCFWMQHJWATH-JTQLQIEISA-N 264.705 2.008 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1 3156120 OSTJETWAVNNFEE-VIZOYTHASA-N 272.260 2.081 50 40 CEGB CC(=O)N/N=C(/C)c1ccc(NC(=O)C(F)(F)F)cc1 5826588 SQFFYGADGMEHCG-IDUWFGFVSA-N 287.241 2.048 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1 16438183 ZCQAHDKQQJYSNF-NTUHNPAUSA-N 286.331 2.233 50 40 CEGB O=c1c2ccccc2sc2nc(CCl)nn12 1622608 NWIRWAOQYMSGPG-UHFFFAOYSA-N 251.698 2.043 50 40 CEGB Cc1ccc2cc(C(=O)NNc3ncccn3)c(C)nc2c1 44918577 NXTNEHOUVXRFLF-UHFFFAOYSA-N 293.330 2.399 50 40 CEGB CC1=C(C#N)C(=O)[C@](Nc2ncccc2C)(C(F)(F)F)N1 100150035 SISCSBLAKLUREN-LBPRGKRZSA-N 296.252 2.030 50 40 CEGB O=C(Cl)c1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1 100680157 FVQKMRYCUUFADY-QMMMGPOBSA-N 286.114 2.184 50 40 CEGB C[C@H](Cl)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 5175361 UMYXHENUOWTRNZ-BQBZGAKWSA-N 253.685 2.216 50 40 CEGB COC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1 5728332 XCVHYIKXJWDGKN-XFFZJAGNSA-N 283.287 2.165 50 40 CEGB Cc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)o1 15967885 OSTJETWAVNNFEE-CHHVJCJISA-N 272.260 2.081 50 40 CEGB CCCNC(=O)NNC(=O)c1cccc(OCC(C)C)c1 17023233 KVYFJSBLZADVOT-UHFFFAOYSA-N 293.367 2.075 50 40 CEGB O=[N+]([O-])c1cccc(OCc2nnc(CCl)o2)c1 20135852 VOMZRWALTBQKMF-UHFFFAOYSA-N 269.644 2.296 50 40 CEGB COC(=O)c1ccc(/C=N\NC(=O)Cc2ccccc2)cc1 33294351 RPLHYTZDXMEFIX-PDGQHHTCSA-N 296.326 2.166 50 40 CEGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCOCC1 3171259 JUSZMQFHBNPDSV-FMIVXFBMSA-N 276.723 2.106 50 40 CEGB O=C(NNc1ccc(Cl)nn1)NC1CCCCC1 480291 ZPMHOKBHCBPFHW-UHFFFAOYSA-N 269.736 2.089 50 40 CEGB COC(=O)c1ccc(C)c(NC(=O)NCCCl)c1 22996730 KJDGUXHJHGORBS-UHFFFAOYSA-N 270.716 2.142 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@@H]1C[C@H]1c1ccccc1 5666381 IQWZDJURMNEOIO-PQQGUCMVSA-N 299.286 2.442 50 40 CEGB Cc1occc1C(=O)NNC(=O)c1ccc(Cl)s1 8351167 FBWVXHVZCZSNOC-UHFFFAOYSA-N 284.724 2.378 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 33303671 LBMCWERZKWKVFJ-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB N#C/C(=C\c1ccccc1F)C(=O)NC[C@@H]1CCCO1 43079430 GMBMUGRHYZCYRK-RPHSKFLZSA-N 274.295 2.028 50 40 CEGB Cc1ccc(C)c(-n2c(C)cc(C(=O)NN)c2C)c1 223701157 VROKACHMVWKREH-UHFFFAOYSA-N 257.337 2.314 50 40 CEGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Cl)c1O 8043519 VDLKNDFWKUVRQR-VIZOYTHASA-N 294.694 2.411 50 40 CEGB O=S(=O)(C[C@@H](Br)CCl)c1ccccc1 1673425 ZWRYWMOFELNPEH-QMMMGPOBSA-N 297.601 2.463 50 40 CEGB CSc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1 26533439 MESJJLZUAYAZEI-RAXLEYEMSA-N 288.372 2.174 50 40 CEGB Cc1cc(C)cc(C(=O)NNC(=O)Cc2cccs2)c1 14085458 RBDALBITZINKNH-UHFFFAOYSA-N 288.372 2.369 50 40 CEGB CCc1ccc(/C=N\NC(=O)Cc2cccn2C)cc1 32576884 YBOPJFYZJACRPD-ATVHPVEESA-N 269.348 2.280 50 40 CEGB Cc1nc2cc(C(=O)N/N=C/c3ccccn3)ccc2[nH]1 66366 CHXHRZYGQAAUPH-RQZCQDPDSA-N 279.303 2.030 50 40 CEGB BrC[C@H](Br)C[n+]1ccccc1 3168178 UABKMYNQEOLYAL-QMMMGPOBSA-N 279.983 2.133 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccccc2F)cc1 3269532 BQIYFJYSAYTAAI-VCHYOVAHSA-N 267.263 2.461 50 40 CEGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccccc1 54861365 GXDGKIAURMNLBG-GZTJUZNOSA-N 282.299 2.222 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1ccccc1OC(C)C 3307725 UAEGXDIWMTXXQA-GXDHUFHOSA-N 288.347 2.143 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1ccc(C)c(OC)c1 408801540 URZMZVLDKJOEGQ-NTEUORMPSA-N 288.347 2.063 50 40 CEGB O=C(NCCBr)c1ccc(Cl)cc1 5944670 QGZBHGGCIMPQHI-UHFFFAOYSA-N 262.534 2.465 50 40 CEGB CCCOC(=O)c1ccc(NC(=O)CCl)cc1 1807997 LMCSWUWSJNOMHH-UHFFFAOYSA-N 255.701 2.431 50 40 CEGB Cc1ccc(S(=O)(=O)/C(C#N)=C2/CCCCN2)c(F)c1 67340874 HWZWLXBGNQWDSV-OWBHPGMISA-N 294.351 2.417 50 40 CEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1C 3072723 GXJWDJBTRVTQHW-WOJGMQOQSA-N 295.342 2.392 50 40 CEGB Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1635813 IDQAOTGARKTEOL-UHFFFAOYSA-N 258.233 2.396 50 40 CEGB N#CC(C#N)=Cc1ccc(SCCO)c([N+](=O)[O-])c1 6453136 IWYJSYYLHAHDHQ-UHFFFAOYSA-N 275.289 2.110 50 40 CEGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)O[C@@H]1CCOC1=O 3254854 JURSFBISRQGGDA-OFFHKIPUSA-N 291.690 2.106 50 40 CEGB CC(C)=NNC(=O)CN1C(=O)c2cccc3cccc1c23 101775937 NGPFQJWVVHFBDE-UHFFFAOYSA-N 281.315 2.312 50 40 CEGB CCOC(=O)/C(C)=N\NC(=O)c1cccc(Cl)c1 59488947 TZLNBPKDPWRVAH-ZSOIEALJSA-N 268.700 2.009 50 40 CEGB O=C(NCCCc1ccccc1)NNC(=O)c1ccccc1 12973252 JWRHNUWTZYWHBL-UHFFFAOYSA-N 297.358 2.263 50 40 CEGB Cc1ccc(N2C(=O)C[C@]3(C[C@H](Cl)N=N3)C2=O)cc1 5179001 ABCJMEZJDMFQHT-ZWNOBZJWSA-N 277.711 2.418 50 40 CEGB CC(C)CNC(=S)NNC(=O)Cc1ccc(Cl)cc1 6826990 VCVLDJXILUTKKP-UHFFFAOYSA-N 299.827 2.034 50 40 CEGB CC(C)=NNC(=O)C(C)(C)NC(=O)c1ccc(C)cc1 40544625 JSPGCVWUXSTEOK-UHFFFAOYSA-N 275.352 2.015 50 40 CEGB CCC1CCC(c2ccc(B(O)O)c(F)c2)CC1 202559283 KVIRUEJBQUKUHW-UHFFFAOYSA-N 250.122 2.189 50 40 CEGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O 98923 JQXWIOSLMWABPM-JXMROGBWSA-N 283.243 2.247 50 40 CEGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NCCCO 1912880 ZAZNBMFPKNZNFQ-UXBLZVDNSA-N 299.157 2.399 50 40 CEGB Cc1cc2c(c(=O)o1)[C@H]([C@]13C=C[C@@H](CC1)C3)C(C#N)=C(N)O2 100674904 IJMCKQRFZFKYNM-NCAQKEMTSA-N 296.326 2.474 50 40 CEGB CN1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CCCC2=O 409140819 SQAXEANWJAGMES-ZDUSSCGKSA-N 285.372 2.478 50 40 CEGB CNC(=O)C[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C 198122502 HXKROIHBEBVHRL-SNVBAGLBSA-N 289.448 2.076 50 40 CEGB in-vitro COc1cccc2c1O[C@H](CI)C2 137950847 KANRWEYRUKBITN-QMMMGPOBSA-N 290.100 2.434 50 40 CEGB COc1ccc(C(=O)N/N=C/c2cc(C)ccc2O)cc1 5750268 HPARWFQZKASIHM-LICLKQGHSA-N 284.315 2.473 50 40 CEGB O=C(/C=C/c1ccccc1)NNC(=O)C1CCCCC1 572036 HYKGHCQZKPBAOV-VAWYXSNFSA-N 272.348 2.428 50 40 CEGB CNC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 2667720 LYQBNJYQQIFZHD-PPKCKEKNSA-N 260.175 2.322 50 40 CEGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(OC)cc1 59515781 VKODXRQLCNYFQB-BOPFTXTBSA-N 291.351 2.316 50 40 CEGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccn3)n2c1 59444058 UPUNEWOIATYLHY-GIJQJNRQSA-N 293.330 2.110 50 40 CEGB Cn1cc([C@@H]2C[C@@H]2C(=O)NNc2cccc(Cl)c2)cn1 68422825 LWMHZHRSMGKNBY-STQMWFEESA-N 290.754 2.320 50 40 CEGB COc1ccc(C(=O)N/N=C/c2cccs2)c(O)c1 409392228 OFCJDSZJRKSEPL-RIYZIHGNSA-N 276.317 2.226 50 40 CEGB Cc1occc1C(=O)NNC(=O)c1cccc(Cl)c1 9722221 RHMRSUVXSFDRFP-UHFFFAOYSA-N 278.695 2.316 50 40 CEGB COC(=O)c1ccccc1CI 22007524 DENYZYWKPPHKRY-UHFFFAOYSA-N 276.073 2.408 50 40 CEGB CCO[Si](CNC1CCCCC1)(OCC)OCC 196016652 WUFHQGLVNNOXMP-UHFFFAOYSA-N 275.465 2.496 50 40 CEGB Cc1ccc(CC(=C(C#N)C#N)N2CCOCC2)cc1 34172023 RKRDLCIHQVIAIP-UHFFFAOYSA-N 267.332 2.171 50 40 CEGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccccc1 59515714 VFFDMMDPNZTDAN-WJDWOHSUSA-N 261.325 2.307 50 40 CEGB COCc1c(C(=O)NNc2ncccn2)oc2ccccc12 44716481 YUTQFYCYTRFQCE-UHFFFAOYSA-N 298.302 2.126 50 40 CEGB CCOc1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl 15423089 RXLNWRKXSLNGEJ-SNVBAGLBSA-N 298.770 2.157 50 40 CEGB COc1ccc(/C=N/NC(=O)CC(C)C)cc1OC 484649 CVRPKSWBYDVJPT-OQLLNIDSSA-N 264.325 2.200 50 40 CEGB Cc1nnsc1C(=O)N/N=C/c1ccccc1Cl 140914 QGEHBHIOTUZXHY-AWNIVKPZSA-N 280.740 2.264 50 40 CEGB CC/C(=N/NC(=O)c1cccnc1)c1ccc(O)cc1 5024639 ZAAIHHXWSKMAEY-VKAVYKQESA-N 269.304 2.331 50 40 CEGB C[C@@H](Cl)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 4205111 HMFCJXUBWSMHRG-MTXFGMJDSA-N 284.787 2.408 50 40 CEGB O=C(COc1ccccc1)N/N=C/c1ccccc1F 13954620 BCRWMGCDRBRTCM-LICLKQGHSA-N 272.279 2.355 50 40 CEGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccncc2)c(O)c1 408588206 IIAPFAZRNWFMEK-VCHYOVAHSA-N 299.330 2.338 50 40 CEGB CC(C)Oc1ccc(CCNC(=O)CCl)cc1 62146602 QEQWJFVVBYIGHN-UHFFFAOYSA-N 255.745 2.371 50 40 CEGB Cc1ccc(/C=N\NC(=O)c2ccccc2N)cc1 31723661 BYTYANJPQVJLFL-YVLHZVERSA-N 253.305 2.341 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1 580799 MJQJDDUUQWCUDQ-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB N#C/C(=C/Nn1cnnc1)c1nc2cc(Cl)ccc2o1 5582974 HGGITVVSJFFMPB-YVMONPNESA-N 286.682 2.181 50 40 CEGB NNC(=O)CN1c2ccccc2Sc2ccccc21 156843 DGGWSYPHEPMOBE-UHFFFAOYSA-N 271.345 2.279 50 40 CEGB C/C(CC(=O)c1cccnc1)=N/NC(=O)c1ccccc1O 101156134 JTHRNUVQNIGXNR-WQRHYEAKSA-N 297.314 2.166 50 40 CEGB Cc1ccc(C)c(NC(=O)CCNC(=O)[C@H](C)Cl)c1 8733136 SIWSGUZIOZJYCH-NSHDSACASA-N 282.771 2.376 50 40 CEGB COc1cccc(C(=O)N/N=C/c2ccccc2)c1 2742335 KAMVWYKVOHYSAX-LFIBNONCSA-N 254.289 2.459 50 40 CEGB COCCOc1ccc(NC(=O)CBr)cc1 35605056 UFBFXQZKQDSFEW-UHFFFAOYSA-N 288.141 2.045 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(O)c(O)c1 5568274 KLGDXFQOXBZWFR-OAHLLOKOSA-N 296.282 2.022 50 40 CEGB C=CCN1C(=O)COc2ccc(C(=O)CCl)cc21 11770677 ITXCANRCZZVBNL-UHFFFAOYSA-N 265.696 2.020 50 40 CEGB CNC(=O)/C(C#N)=C\c1cccn1-c1ccc(OC)cc1 408855525 FAIPIKZNVBOFIG-BENRWUELSA-N 281.315 2.139 50 40 CEGB N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCCC1 41705087 YWMVJGWLCXNKMK-JLHYYAGUSA-N 256.305 2.312 50 40 CEGB O=C(CCc1ccco1)NNC(=O)c1ccc(Cl)cc1 12763318 WKNMFDONTXXLSG-UHFFFAOYSA-N 292.722 2.327 50 40 CEGB Cn1cccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2251993 SKQGDIRHJLTTRC-AWEZNQCLSA-N 297.358 2.476 50 40 CEGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)C1[C@H]2CCCC[C@H]12 100505418 KTDSHTNRSBGIEE-AJNGGQMLSA-N 298.386 2.374 50 40 CEGB CCc1n[nH]c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 5045040 HGTYOXSGQTVRCA-LBPRGKRZSA-N 284.294 2.329 50 40 CEGB N#CC1=C(N)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 5530980 JHAGVPKMPVIWJO-CQSZACIVSA-N 283.306 2.213 50 40 CEGB N#C/C(=C/c1cccc(F)c1)C(=O)NCc1ccccn1 6644642 RDQVDKJUFXXTHX-JYRVWZFOSA-N 281.290 2.444 50 40 CEGB COc1ccc2nccc(C(=O)CBr)c2n1 72233602 NXXABUJSPNTJNK-UHFFFAOYSA-N 281.109 2.216 50 40 CEGB O=C1C[C@@H]2C(=C(Br)C=C[C@@H]2Br)N1 228938590 CJNCKIHILYZYLK-WHFBIAKZSA-N 292.958 2.062 50 40 CEGB N#Cc1c(Cl)cccc1NNC[C@H](Cl)C#N 159928 XKIMGBFUKJCDGY-SSDOTTSWSA-N 255.108 2.259 50 40 CEGB Cn1cc(C(=O)N/N=C/c2cccnc2)c2ccccc21 2310284 QKFSAAWVJBTHFS-VCHYOVAHSA-N 278.315 2.337 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 12362549 FHFJQBZCCQWSJG-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB Cc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 15528981 CDZHNSSMSDTNER-UHFFFAOYSA-N 286.306 2.138 50 40 CEGB CCCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 3616705 MLIDMRNCKRLCTP-FMIVXFBMSA-N 273.292 2.418 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1O 5463910 PQRQZJHNKZICKH-CXUHLZMHSA-N 288.303 2.456 50 40 CEGB CC(=O)Oc1c(Br)cc([N+](=O)[O-])cc1C=O 504329 ZUCUWTOKWYKKOA-UHFFFAOYSA-N 288.053 2.095 50 40 CEGB O[C@@H](CCl)CSc1nnc(-c2ccccc2)o1 546616 JOBPOYCAUWAUQG-VIFPVBQESA-N 270.741 2.428 50 40 CEGB CCCNC(=O)c1ccc(NC(=O)CBr)cc1 35605305 MHHANWSEYXTNTI-UHFFFAOYSA-N 299.168 2.160 50 40 CEGB NNC(=O)Cc1csc(Nc2ccc(Cl)cc2)n1 44786595 PSLPYZXJUXMKDC-UHFFFAOYSA-N 282.756 2.073 50 40 CEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2)c1 3072695 YPFMWFGCYAAJGF-WOJGMQOQSA-N 295.342 2.392 50 40 CEGB Cn1ccnc1P(c1ccccc1)c1ccccc1 100498189 XETUDUREHZVDEM-UHFFFAOYSA-N 266.284 2.178 50 40 CEGB CCN1CCC(=NNC(=O)c2cc(Cl)ccc2O)CC1 55008993 DICBOUSAMNVPGI-UHFFFAOYSA-N 295.770 2.247 50 40 CEGB COc1cccc(C(=O)/C=C(\C)NNC(=O)C(C)C)c1 408723396 VIXJETWVDRSTKR-DHZHZOJOSA-N 276.336 2.059 50 40 CEGB C[C@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2ccc(F)cc21 223195734 PEYNAIFVBAHZSO-UWVGGRQHSA-N 279.359 2.296 50 40 CEGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccco1 573565 PSHOXPHPCPSBSO-GIDUJCDVSA-N 292.678 2.426 50 40 CEGB CC(=O)N[C@@H]1CCCCC[C@@H]1I 5049146 LCDLRTZJFWIBNP-DTWKUNHWSA-N 281.137 2.259 50 40 CEGB O=C(NCc1ccccc1)C(=O)NN=C1CCCCCC1 13921448 PMVINBKCXGQURW-UHFFFAOYSA-N 287.363 2.129 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(F)cc1F 18988758 CLQDEQXHKAZTBH-BQYQJAHWSA-N 252.220 2.347 50 40 CEGB NNC(=O)C1c2ccccc2Sc2ccccc21 313289 HWCFZVHBVZSUCS-UHFFFAOYSA-N 256.330 2.273 50 40 CEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC)[C@@H]2C1 4452987 VAQRVCBBEULQPJ-CABCVRRESA-N 295.390 2.064 50 40 CEGB CN(C)C[C@H]1CCCCC[C@@H](Br)[C@@H]1O 4962528 SODWHFWWJDWGHK-GMTAPVOTSA-N 264.207 2.253 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccncc1 59382424 LLFNERIBIIHLSR-LDADJPATSA-N 298.346 2.429 50 40 CEGB COc1ccc(/C=N/NC(=O)CC(C)C)c(OC)c1 4155353 KLKHEABJMMJIOE-OQLLNIDSSA-N 264.325 2.200 50 40 CEGB O=C1ON=C(CCl)/C1=C\c1ccccc1[N+](=O)[O-] 34926704 KXKMKXGHKVABLY-VMPITWQZSA-N 266.640 2.130 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1 30802881 NDZBBIQBXQTKBK-MFOYZWKCSA-N 269.304 2.163 50 40 CEGB COc1ccc(NC(=O)[C@H](C)Cl)cc1N1CCOCC1 34776805 HEEDFMSPZBNPMH-JTQLQIEISA-N 298.770 2.098 50 40 CEGB CCc1cccc(C)c1N1C(=O)C[C@H](Cl)C1=O 103119162 MUWBJFUXVDIOSY-JTQLQIEISA-N 251.713 2.428 50 40 CEGB N#CC(C#N)=C(N)[C@@H](C#N)Cc1cccc(Cl)c1 6025504 RIFQOTSUJSGVRK-SNVBAGLBSA-N 256.696 2.282 50 40 CEGB N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1cccnc1 18199613 DDZLPXYIKMNGCB-CQSZACIVSA-N 288.314 2.140 50 40 CEGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccccc1O 83325100 JDCFCFSCGOBTPT-YAJBTMAUSA-N 298.342 2.356 50 40 CEGB Cc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)o1 487130 LURDQOFTPIMIMQ-CAOOACKPSA-N 275.283 2.289 50 40 CEGB CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccncc2)cc1 13113911 BWXWFSOQOYUPBD-ODLFYWEKSA-N 296.330 2.194 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2ccc[nH]2)cc1C 531106 KBUONPKEWYSICJ-RQZCQDPDSA-N 271.320 2.161 50 40 CEGB CC1(C)CC(=O)C/C(=N\NC(=O)[C@H]2CC23CCC3)C1 100506211 OSABRNKWWBTFRB-HMHNVIDESA-N 262.353 2.428 50 40 CEGB CC(C)CC(=O)NNC(=S)Nc1ccc(F)cc1 2784634 MBHJJCDVOKJKPM-UHFFFAOYSA-N 269.345 2.189 50 40 CEGB Cc1cc(C)n(CC(=O)N/N=C/c2cccc(Cl)c2)n1 188788 YGAIXNWREGDGNV-LZYBPNLTSA-N 290.754 2.304 50 40 CEGB COc1ccc(OCC(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1 8182526 NGUISIISESAFAS-IBATUISDSA-N 286.331 2.142 50 40 CEGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 4117858 NGUBJJRQNCURLP-UHFFFAOYSA-N 275.239 2.491 50 40 CEGB Cc1cc(C)nc(NNC(=O)C2(c3ccccc3)CC2)n1 65591206 GPLRDLPHEFOXBP-UHFFFAOYSA-N 282.347 2.268 50 40 CEGB O=C(N/N=C\c1ccccn1)c1ccc(Cl)cc1 4814096 OSEOOXCLAYRSPE-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)o1 408994828 JSSUYRHIALFUQY-MHWRWJLKSA-N 287.319 2.118 50 40 CEGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)NN)cc1)C2 408729307 YYMISQOHZKBZOQ-UHFFFAOYSA-N 281.359 2.427 50 40 CEGB COC(=O)Cc1ccc(F)cc1CBr 169796746 HNYRHUYJSGXILU-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB NC(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 478800 QFNZWGPELGOICQ-GIJQJNRQSA-N 287.294 2.407 50 40 CEGB C[C@@H](Br)[C@@H](Br)C[N+](C)(C)C 313509 MKNMPEQOVKGLMP-RQJHMYQMSA-N 274.020 2.240 50 40 CEGB Cc1oc(=O)oc1COC(=O)Oc1ccc([N+](=O)[O-])cc1 2523013 MZGIKNSLLFWGKL-UHFFFAOYSA-N 295.203 2.165 50 40 CEGB O=C(CCl)N1CCC(OCc2ccccc2)CC1 62146615 QUABQIFUHVKLLQ-UHFFFAOYSA-N 267.756 2.433 50 40 CEGB in-vitro C[C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 3887773 NGPIWHVRKMJIQR-LURJTMIESA-N 253.645 2.032 50 40 CEGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)NC1CCCCC1 18053970 JVWMVMVCRKXTPU-FUNVUKJBSA-N 279.384 2.086 50 40 CEGB CN(C)P(=O)([C@H](Cl)C(F)(F)F)N(C)C 3203966 KCJGDCLXNXPJSR-YFKPBYRVSA-N 252.604 2.430 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccc(F)cc1F 6397568 LQEDPPFUCOLPKF-UHFFFAOYSA-N 273.308 2.083 50 40 CEGB O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCCO1 68773026 SUABUIJALAMDPI-JTQLQIEISA-N 274.242 2.328 50 40 CEGB CC1=C[C@H]2c3ccccc3[C@@]1(C)[C@H]1C(=O)OC(=O)[C@@H]12 408734049 GDRAIUUDPWLKNV-XQCUEUFKSA-N 254.285 2.317 50 40 CEGB CC[C@H](C)C(=O)N/N=c1/c(=O)c2cccc3cccc1c32 102153562 WKIANURKKXULQC-UJMUHZSASA-N 280.327 2.207 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccsc1 25174762 GISAFIXPEXBMDC-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB OCC(CO)(CCl)COc1ccc2ccccc2c1 6118789 PLZJMCNBPWEGNQ-UHFFFAOYSA-N 280.751 2.428 50 40 CEGB Cl[C@@H](Br)I 85855905 WUHPSARYLVYQOT-PVQJCKRUSA-N 255.280 2.339 50 40 CEGB in-vitro C[C@@H]1CCCC/C1=N/NC(=O)c1cc(O)ccc1O 16990286 YJYRRCLPSWMQFB-MCQFYPOTSA-N 262.309 2.394 50 40 CEGB O=P(NCCCl)(NCCCl)c1ccccc1 1735003 DRHPXHRPJKJXRT-UHFFFAOYSA-N 281.123 2.162 50 40 CEGB C[C@H](CCOC(=O)CCCl)OC(=O)CCCl 8580367 ZMAOVTBJOHKIEE-MRVPVSSYSA-N 271.140 2.109 50 40 CEGB CC(=O)NNC(=O)CCc1ccc(-c2ccccc2F)o1 9833773 KRCHIXPVQHBNCQ-UHFFFAOYSA-N 290.294 2.186 50 40 CEGB COc1ccc(CC(=O)N/N=C\c2ccccc2)cc1OC 59515915 KZJJDKWOZBKQGS-PDGQHHTCSA-N 298.342 2.397 50 40 CEGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NNc1ccccc1)OC2=O 100260616 HBUHISLAFDATEA-HZPDHXFCSA-N 288.347 2.252 50 40 CEGB Cc1c(NC=C(C#N)C#N)cccc1N1CCCC1=O 48629603 VKGRJYBIWIUKEV-UHFFFAOYSA-N 266.304 2.465 50 40 CEGB Cc1ccoc1/C=N/NC(=O)CSc1ccccn1 124544 BCLCAESNVIOZJR-OVCLIPMQSA-N 275.333 2.225 50 40 CEGB IC[C@@H]1Cc2ccccc2N1 14983042 FTDKWBOHZIGPCX-QMMMGPOBSA-N 259.090 2.458 50 40 CEGB CC(C)(C)c1ccc(C2=C(C#N)[C@H](N)n3ncnc3N2)cc1 226760825 NZTPMNCBLXWCKS-CQSZACIVSA-N 294.362 2.393 50 40 CEGB CN(C)C[C@@H]1CCCCC[C@@H](Br)[C@@H]1O 4962525 SODWHFWWJDWGHK-HBNTYKKESA-N 264.207 2.253 50 40 CEGB Cn1c(=O)n(C)c2ccc(C=C(C#N)C#N)c3cccc1c32 194762 GTZOYOOPRJGFAT-UHFFFAOYSA-N 288.310 2.461 50 40 CEGB C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 102685088 BLUAFEHZUWYNDE-NUVRKTEISA-N 282.336 2.395 50 40 CEGB C[C@]12C[C@@H](Br)[C@H](Br)C[C@@H]1O2 104276932 JVHROALZCZFSSO-JWXFUTCRSA-N 269.964 2.465 50 40 CEGB CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CCl 79414799 ZQVBWGCCXWBVHV-CQSZACIVSA-N 280.799 2.348 50 40 CEGB CCCn1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253407224 VTLIONNAWMSNIO-AWEZNQCLSA-N 298.346 2.108 50 40 CEGB Cn1ccc(C(=O)N/N=C/c2cccc3ccccc23)n1 31043 KSJKMKVXUFHZIZ-GZTJUZNOSA-N 278.315 2.337 50 40 CEGB Cc1cc(C)nc(N2N[C@@H](c3ccco3)C(C#N)=C2O)n1 14162638 DIIMEBAPFGRMFL-GFCCVEGCSA-N 283.291 2.046 50 40 CEGB Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)c(C)c1 8733166 AFVOUBVPBZTPOY-LLVKDONJSA-N 282.771 2.376 50 40 CEGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 3228903 RYZFIRKNTOAJER-WQLSENKSSA-N 297.270 2.411 50 40 CEGB CCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 64219930 PSBCTNJHBJBZJM-ZYHUDNBSSA-O 278.800 2.498 50 40 CEGB COc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OC 33447505 FEWUFYFWCNOICT-PDGQHHTCSA-N 298.342 2.397 50 40 CEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC)[C@H]2C1 33936164 VAQRVCBBEULQPJ-GJZGRUSLSA-N 295.390 2.064 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] 40889256 LHCATACULOQISP-WDZFZDKYSA-N 289.291 2.035 50 40 CEGB CC(=O)N/N=C\c1cc(C)n(-c2ccc(O)cc2)c1C 4514417 IZEIITSYCIXQIW-SXGWCWSVSA-N 271.320 2.270 50 40 CEGB N#CC1=C(N)OC(c2ccc(Cl)cc2)=CC1(C#N)C#N 78547466 LEVNGRGAJRLHRQ-UHFFFAOYSA-N 282.690 2.439 50 40 CEGB CC(/C=N/NC(=O)c1ccccn1)=C\c1ccco1 4746420 DICKKFXXKYOMKP-VZNDOJKJSA-N 255.277 2.494 50 40 CEGB C[C@H](NC(=O)CCl)c1ccc2c(c1)OCCCO2 95920287 GCPWRODZZLYFON-VIFPVBQESA-N 269.728 2.264 50 40 CEGB NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3193603 HYWOFZAKNCIVFB-UHFFFAOYSA-N 278.315 2.143 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 408802532 YNEXOORKKBDTQT-SEEODLKFSA-N 272.304 2.206 50 40 CEGB CC(C)Cc1sc(C(=O)NN)cc1Br 85393222 HHQYWFVSHUKGSU-UHFFFAOYSA-N 277.187 2.313 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1cccc(Cl)c1 96518917 ASJYTZRAJJTLRS-NXEZZACHSA-N 283.176 2.373 50 40 CEGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccco1 5164343 LPUYUEQNENJHOU-LFIBNONCSA-N 288.303 2.207 50 40 CEGB Cc1ccc(C/C=N/NC(=O)Cc2ccccc2)o1 5547665 HYMFMSXNOKZZKE-MHWRWJLKSA-N 256.305 2.475 50 40 CEGB CN(/N=C/c1ccccc1O)C(=O)c1ccccc1N 1574637 MIFIRIBHPDAQLR-LICLKQGHSA-N 269.304 2.081 50 40 CEGB COC(=O)c1oc2ccccc2c1NC(=O)CCl 552433 ZKPXMPPJHWASLU-UHFFFAOYSA-N 267.668 2.397 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc2ncoc2c1 100911349 NUEVNWDOQQGBER-VQHVLOKHSA-N 257.249 2.210 50 40 CEGB CCCCc1ccc(C(=O)NNC(=O)c2cccn2C)cc1 12984585 VAPSQCJXIUXELT-UHFFFAOYSA-N 299.374 2.443 50 40 CEGB Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)cn1 4724736 UBNVVKHJWUESPZ-AUWJEWJLSA-N 290.304 2.124 50 40 CEGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccc(F)cc1 409197712 MXFATGYTOCJAMG-DJKKODMXSA-N 297.333 2.292 50 40 CEGB COc1ccc(O)c(/C=N/NC(=O)c2ccc(C)o2)c1 409033664 ONCUVUYLHVJWNW-OVCLIPMQSA-N 274.276 2.066 50 40 CEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1 5207182 AXUADGYJTIAQGP-YBFXNURJSA-N 296.330 2.194 50 40 CEGB CCCc1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1cccc(O)c1 5686245 UXDJUUHHZQRKGW-ZDUSSCGKSA-N 296.330 2.286 50 40 CEGB Cn1cccc1/C=C(\C#N)c1nnc2n1CCCCC2 23653061 HKKGXVIZDIRCAI-ZRDIBKRKSA-N 267.336 2.407 50 40 CEGB CSc1ncc(C(=O)NNc2ccc(C)cc2)cn1 6300404 MCIGUTYUAAYGRA-UHFFFAOYSA-N 274.349 2.264 50 40 CEGB O=C(/C=C/c1ccccc1F)NNC(=O)c1ccccc1 12623021 YFTQNSJPIVLRIY-ZHACJKMWSA-N 284.290 2.300 50 40 CEGB ClCCCSc1nc2ccccc2c2nnnn12 58046998 LFSRBGAVYFUPSU-UHFFFAOYSA-N 279.756 2.394 50 40 CEGB C/C(=N\NC(=O)NCCc1ccccn1)c1ccccc1O 64911016 LDDHJUJKHHBTJR-XDHOZWIPSA-N 298.346 2.053 50 40 CEGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1C 5818185 JYMYDPOHBOAXFR-CQSZACIVSA-N 296.330 2.253 50 40 CEGB N#C/C(=C/c1cccnc1)C(=O)Nc1ccccc1C(=O)O 5932307 TYSPKTQSWCOPEQ-WQLSENKSSA-N 293.282 2.325 50 40 CEGB Cc1cccc(C(=O)N/N=C\c2ccc3c(c2)OCO3)c1 33303306 SZGVFSMNAIARGY-MFOYZWKCSA-N 282.299 2.488 50 40 CEGB CC1(C)OB([C@H](N)CCCBr)OC1(C)C 196557430 AHDMSVITMRAKRS-MRVPVSSYSA-N 277.999 2.120 50 40 CEGB O=C1C[C@H]2C(=C(Br)C=C[C@@H]2Br)N1 228938610 CJNCKIHILYZYLK-UHNVWZDZSA-N 292.958 2.062 50 40 CEGB CS(=O)(=O)c1ncc(CCl)n1C1CCCC1 47219307 LCVWUVXQCODQCU-UHFFFAOYSA-N 262.762 2.141 50 40 CEGB O=C(CCCl)Nc1nnc(-c2ccccc2)o1 9062148 ABVDTCCFWKONEX-UHFFFAOYSA-N 251.673 2.304 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1 49371893 KTMOYYGWJJJSFJ-YHYXMXQVSA-N 264.712 2.477 50 40 CEGB CC[C@@H](Br)C(=O)Nc1cc(O)ccc1O 61997458 OERGLKRKTOYHRU-SSDOTTSWSA-N 274.114 2.210 50 40 CEGB NNC(=O)c1cccc(OCc2nc3ccccc3s2)c1 78401066 PBHAZIHVRKYPQA-UHFFFAOYSA-N 299.355 2.479 50 40 CEGB COc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1OC 227834 NQJPFGYHYGWONO-YBEGLDIGSA-N 288.303 2.451 50 40 CEGB C=CCOc1ccccc1/C=C(\C#N)c1n[nH]c(N)c1C#N 8565361 SKAIDWFZCIKFIY-XYOKQWHBSA-N 291.314 2.493 50 40 CEGB CCOC(=O)NNC(=O)c1cc2c(s1)CCCCC2 21771700 UJYRJUOBCDOOCQ-UHFFFAOYSA-N 282.365 2.408 50 40 CEGB O=C(CCl)NCc1ccc(OCCN2CCCC2)cc1 41736924 YTKZJRUMYKVDJC-UHFFFAOYSA-N 296.798 2.016 50 40 CEGB O=C(O)C(=O)c1ccc(N(CCCl)CCCl)cc1 1763750 AMOIRCXGHIFRSZ-UHFFFAOYSA-N 290.146 2.238 50 40 CEGB COC(=O)N/N=C(\C)c1ccc(NC(=O)NC(C)C)cc1 47949611 VUUYUEVETGFQOY-LICLKQGHSA-N 292.339 2.297 50 40 CEGB N#CC1=C2CCCN2c2ccc(Cl)cc2S1(=O)=O 67172854 UHTHWJJJUQIUJD-UHFFFAOYSA-N 280.736 2.463 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c(C)o1 15661842 ZYGVLQNUVMYJQY-UHFFFAOYSA-N 297.314 2.453 50 40 CEGB O=C(NNC(=O)c1ccccn1)c1ccc2ccccc2c1 8735438 MMBNRIBRZADVFA-UHFFFAOYSA-N 291.310 2.310 50 40 CEGB O=C(OCCCl)c1ccc(C(=O)OCCCl)cc1 135896867 DBNYVAWEUHWAAQ-UHFFFAOYSA-N 291.130 2.478 50 40 CEGB Cc1c(C(=O)NNC(=O)[C@H]2C[C@H]2C)oc2ccccc12 17448625 LJWZUUYEWWBTSH-KCJUWKMLSA-N 272.304 2.158 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1cccc(O)c1O 257117 XDQQDGYZZOQFLX-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB CCCCC(=O)N/N=C/c1ccc(OC)c(O)c1 1702897 QPYKSXRJZFHQMJ-NTEUORMPSA-N 250.298 2.041 50 40 CEGB O=C1OC(=O)[C@H]2[C@@H]1N=NC2(c1ccccc1)c1ccccc1 104061660 DNKBRMSPMXPAHC-KGLIPLIRSA-N 292.294 2.464 50 40 CEGB CC(=O)OC1=C(C)[C@](C)(OO)C(=O)c2ccccc21 68571833 XRMQFJFXRVWWHK-AWEZNQCLSA-N 262.261 2.425 50 40 CEGB CCC(/C=N/NC(=O)COc1ccc(C#N)cc1)CC 5560514 CBOFMXXPGKXHFQ-LICLKQGHSA-N 273.336 2.475 50 40 CEGB CCN1CCN(c2ccc(NC(=O)CCl)cc2)CC1 8155964 YNMVUZYAMOIRFU-UHFFFAOYSA-N 281.787 2.006 50 40 CEGB C[C@@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2cc(F)ccc21 260722727 RWWSESANQVZSOU-NXEZZACHSA-N 279.359 2.296 50 40 CEGB Cc1cc(NC(=O)C(Cl)Cl)cc2c1OCO2 1679134 IMCWRLPIECCNSU-UHFFFAOYSA-N 262.092 2.466 50 40 CEGB CCCCC(=O)N/N=C/c1cccc(OC)c1OC 1704795 SIALIYFUAQDIHE-XNTDXEJSSA-N 264.325 2.344 50 40 CEGB CCOC(=O)COc1ccc(C=C(C#N)C#N)cc1OC 2749958 JSHSPNKKQRCTBQ-UHFFFAOYSA-N 286.287 2.068 50 40 CEGB biogenic,in-vitro C[C@@H](NC(=O)C(=O)NN=C1CCCCC1)c1ccccc1 4832401 VICZZVFCWYNJSK-GFCCVEGCSA-N 287.363 2.300 50 40 CEGB COC(=O)c1ccc(C(=O)OC)c(CBr)c1 59823812 UTIKNGRWJJKNBJ-UHFFFAOYSA-N 287.109 2.155 50 40 CEGB CCOc1cccc(/C=C(/C#N)C(N)=O)c1OC(F)F 44867197 ZYRZKPSIQXDPJC-TWGQIWQCSA-N 282.246 2.079 50 40 CEGB C[C@@]12CC[C@@H](/C(=N/O)C1=O)[C@]2(C)CBr 137769738 ZJBLURFKNIAZMR-CATHHOPBSA-N 260.131 2.217 50 40 CEGB CCOc1ccc(C(=O)N/N=C/c2ccccn2)cc1 5475501 GXZNFWVFGXNBEU-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB COC(=O)c1sccc1NC(=O)OCCCl 2243847 PIXYZJOSPTUMMB-UHFFFAOYSA-N 263.702 2.322 50 40 CEGB NC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 382909 JOQKTGVTQSQZME-UHFFFAOYSA-N 267.332 2.496 50 40 CEGB CN1/C(=N/NC(=O)c2ccccc2)C(=O)c2ccccc21 100931140 RAFFQZILMXKNKW-BMRADRMJSA-N 279.299 2.063 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1cccc(O)c1 493603 YYIWIWGNRIOLGP-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB COC(=O)c1cc(C(=O)CBr)ccc1OC 59685477 GAURKYHGBCAWNK-UHFFFAOYSA-N 287.109 2.059 50 40 CEGB N#CC(C#N)=Cc1ccc(OCC(=O)N2CCCC2)cc1 409170383 UVCZTQNNHXKSCD-UHFFFAOYSA-N 281.315 2.118 50 40 CEGB C/C(=N\NC(=O)c1ccccc1N)c1ccc(O)cc1 14408882 UGEYAWBQIGEUJU-LICLKQGHSA-N 269.304 2.128 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(O)c1 271792 JGWLCQJUTHXFIT-AWEZNQCLSA-N 270.288 2.063 50 40 CEGB COc1ccc(C(=O)NCCCCl)cc1OC 2800960 LJVVOEULWZXMOR-UHFFFAOYSA-N 257.717 2.063 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2ccc(C)c(F)c2)c(C)o1 7957830 CRGKXQLRRIRNOQ-UHFFFAOYSA-N 290.294 2.419 50 40 CEGB CCCCCCC[C@H]1C[C@H](/C(C)=N/NC(N)=O)OC1=O 17297466 OZPFGYAUILEWCF-AWOYWQDDSA-N 283.372 2.323 50 40 CEGB CC(C)(C)C1CCC(=NNC(=O)CN2CCOCC2)CC1 32189156 VFMNQUYXGGMDEU-UHFFFAOYSA-N 295.427 2.027 50 40 CEGB CCOc1ccc(C(=O)NN)cc1COc1ccccc1 224358453 HWXSFLDBBNPQPY-UHFFFAOYSA-N 286.331 2.268 50 40 CEGB COC(=O)c1cc(OCCBr)cs1 96511062 CGKKWLRYBXOMCX-UHFFFAOYSA-N 265.128 2.308 50 40 CEGB O=C(CBr)Nc1cc([N+](=O)[O-])ccc1F 5713776 MNBOCWQGMCHPKR-UHFFFAOYSA-N 277.049 2.067 50 40 CEGB CCCCc1sc(/C=N\NC(N)=O)cc1[N+](=O)[O-] 12410910 NKDOGOWJPHKIGK-SDQBBNPISA-N 270.314 2.001 50 40 CEGB COc1ccc(C(=O)NN)cc1OCc1ccccc1C 226318834 ZFMDPWRJORYNHB-UHFFFAOYSA-N 286.331 2.186 50 40 CEGB O=C(CCc1ccccc1O)N/N=C/c1ccco1 3167855 GFGQEFNPDDDEHU-XNTDXEJSSA-N 258.277 2.068 50 40 CEGB C/C(=N\NC(=O)c1cccs1)c1ccc(O)cc1O 18323814 RSAOLGBAGJISFG-RIYZIHGNSA-N 276.317 2.313 50 40 CEGB CNC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 16712953 LYQBNJYQQIFZHD-BKDNQFJXSA-N 260.175 2.322 50 40 CEGB O=S(=O)(c1ccccc1)[C@H]1[C@@H]2C[C@H]3[C@@H]([C@@H]2Cl)[C@@H]31 103684672 PTGDUGPVEWYOLE-TXWLSFLZSA-N 268.765 2.332 50 40 CEGB Cc1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1 146504 JMPAEDZEYQZUBX-UHFFFAOYSA-N 272.279 2.209 50 40 CEGB O=C(CCl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 3434783 RIZYPZARPUANTD-NSHDSACASA-N 281.739 2.360 50 40 CEGB O=C(NNC(=S)NCCc1ccccc1)c1ccccc1 2784657 LJADESLPXPBZRR-UHFFFAOYSA-N 299.399 2.038 50 40 CEGB COc1ccc(NCC(=O)N/N=C(\C)c2ccccn2)cc1 6296621 VULFBHTTZXSWHK-XDHOZWIPSA-N 298.346 2.043 50 40 CEGB CCNC(=O)NNC(=O)c1cc2cc(Cl)ccc2o1 49183583 UNDYYBGUFZMOPI-UHFFFAOYSA-N 281.699 2.050 50 40 CEGB CCCCOc1ccccc1/C=N/NC(=O)CC#N 3090038 NLQUWBXCCQNMOG-LFIBNONCSA-N 259.309 2.229 50 40 CEGB C[C@@H]1CCN[P@@](=O)(N(CCCl)CCCl)O1 1678092 FKEBIELXSBGYPQ-GLEZIHRCSA-N 275.116 2.273 50 40 CEGB CCc1c(C(=O)NNC(=S)NCC(C)C)csc1C 8666397 XCIVVGQBQCXQPV-UHFFFAOYSA-N 299.465 2.384 50 40 CEGB C[C@@H](Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 35222651 ZHUYXQJPSVQHBT-DGCLKSJQSA-N 266.772 2.004 50 40 CEGB in-vitro NNC(=O)c1cccn1-c1ccc2ccccc2c1 223743311 QPHVXILDTUXCMO-UHFFFAOYSA-N 251.289 2.234 50 40 CEGB CC(C)(Br)[C@H](Br)C(=O)O 67172277 RWJNIIYQCXBZFS-GSVOUGTGSA-N 259.925 2.008 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1 57787088 OUXBFPUIBIRQKR-WOJGMQOQSA-N 279.299 2.331 50 40 CEGB N#Cc1c(CCl)cc(=O)n2c1[nH]c1ccccc12 3316929 FOBWKDPOEQRMKB-UHFFFAOYSA-N 257.680 2.391 50 40 CEGB CC(C)(C)c1ccc(C(=O)C(=O)NNc2ncccn2)cc1 64290192 JDHLUXBLCWGOLJ-UHFFFAOYSA-N 298.346 2.100 50 40 CEGB O=C1c2cc(F)cc([N+](=O)[O-])c2O[C@H]1Br 169804100 XVBMDSVXHXVGAH-MRVPVSSYSA-N 276.017 2.030 50 40 CEGB COc1cc(/C(C)=N\NC(=O)c2ccco2)ccc1O 231291 ZDXBCYMNLVVXQQ-DHDCSXOGSA-N 274.276 2.148 50 40 CEGB NNC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1 15014107 AEPJJRCDBLWBTE-UHFFFAOYSA-N 290.150 2.092 50 40 CEGB O=C(N/N=C/C1CCCCC1)C(=O)Nc1ccc(F)cc1 5513619 ZAUAFSBPZXHMAW-LICLKQGHSA-N 291.326 2.447 50 40 CEGB CN(C)NP(N)(Cl)(c1ccccc1)c1ccccc1 104094930 MVJXFDQCIWEVLZ-UHFFFAOYSA-N 295.754 2.199 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2cccnc2)c(C)c1 253146 BMSBCHLJVDPTIG-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB CC[n+]1ccn(C)c1P(c1ccccc1)c1ccccc1 8692030 VQCULKQPKGGVPG-UHFFFAOYSA-N 295.346 2.091 50 40 CEGB C[C@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@]13C)[C@@H]2I 103859458 MCUBUFTVKLBTBK-YVKFXGPTSA-N 292.116 2.008 50 40 CEGB Cc1ccc(NC(=O)NNC(=O)c2ccco2)cc1 14094816 SVDCYOFDCKPWFV-UHFFFAOYSA-N 259.265 2.055 50 40 CEGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OC)cc2)C1=O 16752925 QAOCUEBEYFUMMV-ZROIWOOFSA-N 296.326 2.307 50 40 CEGB Cc1occc1C(=O)NNC(=O)CSc1ccccc1 577848 LRJAWGMHWOLPOI-UHFFFAOYSA-N 290.344 2.141 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2ccc(O)c(Cl)c2)n1 22233471 JPBMAMHDGBGRNR-UHFFFAOYSA-N 292.726 2.209 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1ccccc1Cl 6579891 RAMSZJSXYZABHD-DHZHZOJOSA-N 264.712 2.010 50 40 CEGB CN(NC(=O)CCc1ccccc1O)c1ccccc1 48579283 RZYYROKDTPTVHV-UHFFFAOYSA-N 270.332 2.492 50 40 CEGB N#C/C(=C/c1cccnc1)c1nnc2n1CCCCC2 3893064 WHPPVTGSIPBRKB-LCYFTJDESA-N 265.320 2.464 50 40 CEGB C[C@@H]1CCC/C(=N/NC(=O)c2cc(O)ccc2O)C1 16990279 OIGKIKKZHFAOET-ZLPNXAQZSA-N 262.309 2.394 50 40 CEGB O=C(N/N=C\c1ccccc1)[C@@H]1OCCc2ccccc21 32655521 SVXKTRZAESFMOA-UWCCDQBKSA-N 280.327 2.451 50 40 CEGB CC[C@H](C)[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1 75213628 HGTROHKIJPHMEP-GXQRRPQDSA-N 276.336 2.100 50 40 CEGB C/C(=N/NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccco1 13644485 JWJBQBREJXHRCM-DHDCSXOGSA-N 284.275 2.417 50 40 CEGB COc1ccc([PH](=O)c2ccc(OC)cc2)cc1 100043036 WILMTQKUPOOLFE-UHFFFAOYSA-N 262.245 2.214 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 175635 ZQCYWQRQLKEBRN-VCHYOVAHSA-N 296.326 2.417 50 40 CEGB CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2 24473560 AIENJUDGJAJVQM-UHFFFAOYSA-N 266.366 2.188 50 40 CEGB O=C(c1ccccc1)[C@H]1N=NC[C@@H]1Br 4726238 QYLNQDMCYFJUEC-IUCAKERBSA-N 253.099 2.467 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-] 7931279 BZEVKTXKVXSTNL-LZYBPNLTSA-N 284.275 2.062 50 40 CEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 408799093 JSTUTJWDKKJXCY-QVIVLVACSA-N 274.320 2.222 50 40 CEGB O=C(O)c1ccc(/C=N\NC(=O)c2ccccc2)cc1 33399565 LQQWDIKRLCNTFI-YBEGLDIGSA-N 268.272 2.149 50 40 CEGB O=C(N/N=C/c1ccco1)c1cccc(Cn2cccn2)c1 131870 ROOLQADHVGVAOD-GZTJUZNOSA-N 294.314 2.288 50 40 CEGB NC(=O)N/N=C(\c1ccccc1)c1cc(Cl)ccc1N 5772263 DYWFERCOOZUHRI-QGOAFFKASA-N 288.738 2.343 50 40 CEGB CC(=O)NNC(=S)NC(c1ccccc1)c1ccccc1 20309873 HIAHARNJJZPOBE-UHFFFAOYSA-N 299.399 2.291 50 40 CEGB NC(=S)NNC(=O)c1sc2ccccc2c1Cl 5214819 SUYXIDLNXVPODU-UHFFFAOYSA-N 285.781 2.033 50 40 CEGB COc1cc(NC(=O)[C@@H](C)Cl)c(C(C)=O)cc1OC 96029385 FQPOFDYLKYUUAD-SSDOTTSWSA-N 285.727 2.472 50 40 CEGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1 48887 DVICJWMBBNFJRE-GFCCVEGCSA-N 284.271 2.068 50 40 CEGB C/C(=N\NC=O)c1ccc2cc3c(cc2c1)OCO3 4972650 UCXQJUNAKINCCZ-CXUHLZMHSA-N 256.261 2.039 50 40 CEGB C/C(=N/NC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccc(N)cc1 13713847 GPEOSYGGLVTOJB-ZDLGFXPLSA-N 299.378 2.443 50 40 CEGB COc1cc(-c2noc(CCl)n2)cc2c1OCO2 36719743 JXHSBLSKNATKJY-UHFFFAOYSA-N 268.656 2.213 50 40 CEGB Cc1ccc(C2=CS[C@H](NC(=O)CCl)N2)cc1 226233673 XFODRQRBCGQGJI-LBPRGKRZSA-N 268.769 2.268 50 40 CEGB NC(=O)N/N=C1\CCC[C@@H](OC(=O)c2ccccc2)CC1 5051877 AFAGCEKCHDSFKY-LVLBFHFTSA-N 289.335 2.200 50 40 CEGB CN(C)C[C@H]1CCCC[C@H]1OC(=O)C(Cl)Cl 3185355 YGKRJMHSTPSNRS-RKDXNWHRSA-N 268.184 2.454 50 40 CEGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccn2)cc1 59514880 ASLQPLDPHCXIIV-WOJGMQOQSA-N 296.330 2.194 50 40 CEGB COC(=O)Cc1cccc(CBr)c1F 169796749 ALTQCOQRHCVYCK-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB C=CCCO[P@@](N)(=O)N(CCCl)CCCl 5600964 UBJAZFXJPCTQTQ-OAHLLOKOSA-N 275.116 2.426 50 40 CEGB in-vitro O=C(NN=C1CCCCC1)[C@H]1COc2ccccc2O1 5604783 UWPGVVUTWGRIAH-CQSZACIVSA-N 274.320 2.263 50 40 CEGB CC(C)NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 3616606 OYGKLXGNRYPWOR-YRNVUSSQSA-N 259.265 2.026 50 40 CEGB Cc1cc(C)n(CCC(=O)NN=C2CCCCC2)n1 384474 NZWVAGBKBMUTLH-UHFFFAOYSA-N 262.357 2.326 50 40 CEGB N#CC1=C2CCC[C@H]2[C@]2(NC1=S)C(=O)Nc1ccccc12 4293380 PDFHNRUAYLJQHF-BDJLRTHQSA-N 295.367 2.385 50 40 CEGB C/C(=N\NC(=O)c1cccnc1)c1ccc(C)c([N+](=O)[O-])c1 5163229 DECMFEXSXWBHJE-GZTJUZNOSA-N 298.302 2.452 50 40 CEGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc[nH]1 6299990 ZKIUKMWIZAJJFT-SFQUDFHCSA-N 271.320 2.242 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccccc2)c1O 4776444 NOQSDVQYJGUDMC-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB CCOC(=O)/C(C#N)=C\Nc1cc(C)ccc1OC 7697482 IDXWFKMEKDOMQY-LUAWRHEFSA-N 260.293 2.386 50 40 CEGB CN(C(=O)CCl)[C@@H]1CCCN(Cc2ccccc2)C1 79393679 XMKVNAYZQXIQAL-CQSZACIVSA-N 280.799 2.348 50 40 CEGB N#CSc1ccc(NC(=O)CSc2ncn[nH]2)cc1 12858136 QRVVXYOZDDVCAL-UHFFFAOYSA-N 291.361 2.109 50 40 CEGB CCN(CC)C(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 2744708 HHNJGAPHLDDHTG-KPKJPENVSA-N 272.304 2.191 50 40 CEGB O=S(=O)(c1ccccc1)N(CCCl)CCCl 1763017 RVQHTQXSEYERJS-UHFFFAOYSA-N 282.192 2.155 50 40 CEGB in-vitro COc1cccc(OC)c1/C=N/NC(=O)c1ccccc1 6583711 VFRXTKGCDZNCQT-GZTJUZNOSA-N 284.315 2.468 50 40 CEGB CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(N)=O)cc1 6627311 QYLJOJNFTCYQTK-KPKJPENVSA-N 266.304 2.031 50 40 CEGB C/C(=N\NC(=O)c1ccccc1F)c1ccncc1 5621189 JVAKQQPRWKYGGA-LICLKQGHSA-N 257.268 2.375 50 40 CEGB N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](C#N)[C@H]1c1cccc(Cl)c1 66087974 PINIDGPABYMYMH-GZBFAFLISA-N 293.717 2.347 50 40 CEGB CCOc1ccccc1/C=N\NC(=O)c1cccnc1 32704173 AYPOKFKBPYWTTL-BOPFTXTBSA-N 269.304 2.244 50 40 CEGB C=CCN1C=CC=C/C1=C/C=C(\C#N)C(=O)OCC 31760622 HTGAGTCLSRWHRZ-MGDWIPCISA-N 256.305 2.455 50 40 CEGB CCOC(=O)/C(C#N)=C1\C(=O)Nc2ccc(Cl)cc21 221145957 LQIGVYSSTPYHAD-LUAWRHEFSA-N 276.679 2.132 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2ccccc2O)cc1 585305 TWCXIXDATXINGW-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccc(C)nc2)c1 261527 SIFKCRQCRDLCEA-RQZCQDPDSA-N 269.304 2.163 50 40 CEGB COc1cccc(C(=O)N/N=C/c2ccc(C)o2)c1 5618402 JCHVNUCGHKDJAP-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB N#C/C(C(N)=O)=C(/C(=O)c1ccccc1)c1ccccc1 1574660 QTXYURJNLMYVDI-PFONDFGASA-N 276.295 2.332 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2ccc3ncsc3c2)n1 14511701 HPNNGFZNYKSUSF-UHFFFAOYSA-N 299.359 2.460 50 40 CEGB O=C(N/N=C\c1ccccc1)[C@H]1OCCc2ccccc21 106963205 SVXKTRZAESFMOA-JIHKLPAASA-N 280.327 2.451 50 40 CEGB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Cl)cc1 4200387 GEUVGGDJTMBROK-SNVBAGLBSA-N 268.744 2.019 50 40 CEGB C/C(=N\NC(=O)c1ccccc1O)c1ccc(C)o1 4356967 ACDATBVUQIAVOS-XNTDXEJSSA-N 258.277 2.448 50 40 CEGB CCC(=O)NNC(=S)Nc1ccc(C)cc1C 6388740 IHSQDYSLTKMKHF-UHFFFAOYSA-N 251.355 2.031 50 40 CEGB O=C(N[C@H](O)C(Cl)Cl)c1ccc(Cl)cc1 3109705 MIPFLOQARPRKRZ-SECBINFHSA-N 268.527 2.192 50 40 CEGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2)c1 59503414 NHYPGYPZHVNSLP-WOJGMQOQSA-N 295.342 2.392 50 40 CEGB NC(=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 108012190 XNPNXHZNSSQASF-OMCISZLKSA-N 265.219 2.227 50 40 CEGB CC[C@@H](C)c1ccc(NC(=S)NNC(=O)COC)cc1 6394128 KHYYZBCZINUVSW-SNVBAGLBSA-N 295.408 2.164 50 40 CEGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccccc1 409048376 OHXIESQRVPZHGZ-LDADJPATSA-N 296.326 2.498 50 40 CEGB NNC(=O)c1cccn1-c1ccc(C(F)(F)F)cc1 223740790 DVCNDUGXDPPYBT-UHFFFAOYSA-N 269.226 2.100 50 40 CEGB CCOC(=O)/C(C#N)=C/NCCc1c[nH]c2ccccc12 1579726 KPBPSVSVSIQKCH-JLHYYAGUSA-N 283.331 2.271 50 40 CEGB COc1cc(NC(=O)[C@H](C)Cl)ccc1N1CCOCC1 34776793 PVOPVVIIEIWVPV-JTQLQIEISA-N 298.770 2.098 50 40 CEGB CCC(=O)NNC(=S)Nc1cc(Cl)ccc1OC 6396345 FYQYOSRCWVYRGG-UHFFFAOYSA-N 287.772 2.076 50 40 CEGB O=[N+]([O-])c1cc(NS(=O)(=O)CCl)ccc1Cl 82512162 YWFBIGJMVRUYLT-UHFFFAOYSA-N 285.108 2.186 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1N1C[C@H](C(=O)Cl)CC1=O 45953512 BAPONGKKEQYGFD-MRVPVSSYSA-N 282.683 2.022 50 40 CEGB Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)o1 15765317 KILJYTVJOPOMJX-UHFFFAOYSA-N 290.294 2.039 50 40 CEGB ClCCN1CCC[C@H](NCc2ccccc2)C1 255188982 MXXLYVIWWDVEAZ-AWEZNQCLSA-N 252.789 2.479 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C#N)cc1 59251 UHPYXFLALGEGOQ-HNNXBMFYSA-N 279.299 2.229 50 40 CEGB COCc1cc(/C=N\NC(=O)c2ccco2)ccc1OC 102305509 UCUNTNQTZZIIBO-SXGWCWSVSA-N 288.303 2.199 50 40 CEGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H](C(=O)[C@@H]1[C@@H]53)[C@@H]42 102942955 DYJXAYHLFCEUAR-SVUJTFHVSA-N 253.139 2.097 50 40 CEGB C[C@H](Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1 13609454 SQHVUCXOXGHTTH-JTQLQIEISA-N 270.735 2.102 50 40 CEGB COC(=O)c1cc2c(cc1CBr)OCO2 95642707 QYMPAGZQZQRTOI-UHFFFAOYSA-N 273.082 2.097 50 40 CEGB O=C(CCl)N(Cc1ccc(Cl)nc1)C1CC1 79421674 NKSGWFUXYURBFN-UHFFFAOYSA-N 259.136 2.465 50 40 CEGB O=C1ON=C(CCl)/C1=C\c1cccc2nsnc12 34926741 QGIYNQMVTQNJCP-QPJJXVBHSA-N 279.708 2.226 50 40 CEGB CCOc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 45952907 DWXVWDFXAQBUPL-VIFPVBQESA-N 267.712 2.204 50 40 CEGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc[nH]1 6990955 AMOSQMFKQBSSOU-UHFFFAOYSA-N 293.326 2.172 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H](CC(C)C)C(C#N)=C(N)O2 546629 WAXMNTDOSCKZQI-VIFPVBQESA-N 260.293 2.164 50 40 CEGB C=C1[C@@](C)(CBr)[C@@H]2CC[C@@]1(C(N)=O)C2 488348 XNFCJDUDXXIGMC-FBIMIBRVSA-N 258.159 2.229 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cn(CC#N)c2ccccc12 59334606 TUTSJMWZQNUDTA-XFXZXTDPSA-N 278.315 2.160 50 40 CEGB C/C(=N\OCC(=O)N/N=C/c1ccco1)c1cccs1 5447265 QJQIVBOSHJCXJI-ZMBCDGQDSA-N 291.332 2.232 50 40 CEGB Cc1cc(C(=O)NNC(=O)/C=C/c2cccs2)c(C)o1 8346464 AUGNCNVHJXIJCC-AATRIKPKSA-N 290.344 2.432 50 40 CEGB Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1 35167532 FPCHKGOOTHWXHO-RQZCQDPDSA-N 257.268 2.172 50 40 CEGB COc1ccc(OCC(=O)N/N=C2\C[C@H]3C=CC[C@H]23)cc1 8182523 NGUISIISESAFAS-ZJBIVCKJSA-N 286.331 2.142 50 40 CEGB Cc1ccsc1/C=N/NC(=O)c1sc(N)nc1C 143238 XUMSKVWEVRGVQX-WLRTZDKTSA-N 280.378 2.168 50 40 CEGB C[C@@H](Cl)C(=O)NC[C@H](c1ccccc1)N(C)C 32627426 FLWWKJPWKZPBHF-ZYHUDNBSSA-N 254.761 2.033 50 40 CEGB in-vitro O=C(NCc1ccco1)C(=O)NN=C1CCCCCCC1 8219869 OAUIHBFZBOYTDR-UHFFFAOYSA-N 291.351 2.112 50 40 CEGB CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccccc1F 4402056 YZFZBXULSOVDPX-NFDWGTCTSA-N 293.342 2.236 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-] 4506767 JBZIPEVAUAXKOO-XFFZJAGNSA-N 259.265 2.026 50 40 CEGB CC1=C[C@H]2c3ccccc3[C@@]1(C)[C@H]1C(=O)OC(=O)[C@H]12 408734048 GDRAIUUDPWLKNV-VFFTVRQLSA-N 254.285 2.317 50 40 CEGB Cc1cccc(/C=N\NC(=O)COc2ccccc2)c1O 30802797 ZXUMEMHCLQNSNN-YVLHZVERSA-N 284.315 2.230 50 40 CEGB Cc1ccccc1C(=O)N/N=C1/C(=O)N(C)c2ccccc21 46591076 PLRLDLNHLVJVSR-OBGWFSINSA-N 293.326 2.106 50 40 CEGB COc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C)C(=O)NN 260714655 DNWNTFMHHZTNAW-GHMZBOCLSA-N 291.395 2.166 50 40 CEGB COc1ccc(Cl)cc1/C=C\C=N/NC(N)=O 5030974 QCFBGLUTGZSXJT-LXCRODQGSA-N 253.689 2.016 50 40 CEGB O=[N+]([O-])c1ccc(N/N=C\CCl)c([N+](=O)[O-])c1 5159459 KCCZBPFTPLCZGI-WMZJFQQLSA-N 258.621 2.140 50 40 CEGB O=C(NNC(=O)c1ccccc1O)c1cc2ccccc2o1 5392486 JNVDWFSDZZTVCA-UHFFFAOYSA-N 296.282 2.213 50 40 CEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 381290 AROBCDXYSRXHRP-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB N#C[C@H](Br)Cc1ccc([N+](=O)[O-])cc1 3071203 ATLJGSDPKYTPKJ-MRVPVSSYSA-N 255.071 2.424 50 40 CEGB CCO[C@@H]1CCC[C@H](CC(=O)NNc2ccccc2)[C@@H]1O 4537289 IOPUZZHFLYIKJJ-XPKDYRNWSA-N 292.379 2.086 50 40 CEGB C/C=C/C=C/C(=O)NNC(=O)c1ccc2ccccc2n1 27683354 WAHBXWVDSZVWGO-DSXPNFDZSA-N 281.315 2.128 50 40 CEGB CCNNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1 2301702 WSVDAIXREAWLBW-UHFFFAOYSA-N 298.386 2.180 50 40 CEGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)cc(C)c1O 105625605 DDMHIAMXLMZFRO-MFOYZWKCSA-N 284.315 2.479 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)c(C)c1 9336095 QHKXGEPCOMPHLZ-UHFFFAOYSA-N 291.738 2.360 50 40 CEGB CC(=O)c1cc2c(cc1NC(=O)CCCl)OCCO2 9592442 UPBNPJJOTUWDQI-UHFFFAOYSA-N 283.711 2.228 50 40 CEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408805990 DMGYQXGRZCDNOL-HAAVITCDSA-N 272.304 2.237 50 40 CEGB O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1 3095375 NRYIBPRQDNMYEY-VCHYOVAHSA-N 278.315 2.187 50 40 CEGB CCOC(=O)/C(C#N)=C1/CCc2c1ccc(OC)c2OC 1706105 CRQCHKYIWDMUDH-QBFSEMIESA-N 287.315 2.490 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(N)cc2)cc1 31723634 DKVLYYLJXQRLNT-YVLHZVERSA-N 269.304 2.041 50 40 CEGB O=C(N/N=C/[C@@H]1CCOC1)c1cc(-c2ccccc2)on1 54294636 QADCMROOIBGJIE-UJFYRASASA-N 285.303 2.094 50 40 CEGB O=C(CC(=O)NN=C1CCCCC1)NCc1ccccc1 335715 QFIKALPRFMGJMJ-UHFFFAOYSA-N 287.363 2.129 50 40 CEGB CC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2 28780007 KERRJXIAILLIML-UHFFFAOYSA-N 288.328 2.088 50 40 CEGB Cc1ccccc1[C@H]1C(C#N)=C(N)NC(S)=C1C#N 4638398 OFFYHMQOHYATDZ-LBPRGKRZSA-N 268.345 2.041 50 40 CEGB C[C@@H](Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C 8428165 KZQJRLJQZBOKNH-MRVPVSSYSA-N 266.728 2.378 50 40 CEGB Cc1cccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 409256923 MUJMXGGBFUNQEN-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB O=C(N/N=C\c1ccc(N2CCCC2)o1)c1ccccc1O 408852279 ROEUVUFLCAQYQW-BOPFTXTBSA-N 299.330 2.349 50 40 CEGB Cc1ccc(/C=N\NC(=O)Cn2c(C)nc3ccccc32)o1 13112075 UQQJHKDMSHKCRX-MFOYZWKCSA-N 296.330 2.396 50 40 CEGB COc1ccc(/C=C(\C#N)C(=O)OCCCl)cc1 2276004 POXDXXDZEHWIFY-DHZHZOJOSA-N 265.696 2.384 50 40 CEGB N#C/C(=C\c1ccc(N2CCc3ccccc3C2)o1)C(N)=O 492712 BLBQESJFZSXOAX-NTEUORMPSA-N 293.326 2.235 50 40 CEGB COC(=O)N/N=C1/C(=O)Nc2ccc(-c3ccccc3)cc21 43911447 NELDKZRIWLQXRS-UHFFFAOYSA-N 295.298 2.366 50 40 CEGB Cc1ccc(S(=O)(=O)OCCBr)cc1 2173393 LTMNMMFAYJZNTC-UHFFFAOYSA-N 279.155 2.095 50 40 CEGB C/C(=N\NC(=O)CC#N)c1cccc(Br)c1 20248975 GPXDCOVIZZWTIV-RIYZIHGNSA-N 280.125 2.203 50 40 CEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccoc1 12808993 NXAKQIUVFOABGV-UHFFFAOYSA-N 294.694 2.016 50 40 CEGB CC(C)(C)C(=O)NNC(=S)Nc1ccccc1 6512293 YKOAXZIUEBKWFC-UHFFFAOYSA-N 251.355 2.050 50 40 CEGB CCCOC(=O)c1cccc(NC(=O)CCl)c1 5597527 FIEJKSMYRVVQFL-UHFFFAOYSA-N 255.701 2.431 50 40 CEGB CC(C)(C)OC(=O)N1CCCCCN1C(=O)CCl 32911340 GTMMLNSEXIRULA-UHFFFAOYSA-N 276.764 2.390 50 40 CEGB COc1ccc(O)c(/C=N/NC(=O)c2ccccc2C)c1 6959927 SBPRIAOMUKXIBT-LICLKQGHSA-N 284.315 2.473 50 40 CEGB CCN(C(=O)CCl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 79392497 OTZYBKCXUPUDMP-SNVBAGLBSA-N 290.791 2.083 50 40 CEGB N#CCC(=O)N/N=C/[C@@H]1CCC[C@@H](N2CCCCC2)CC1 6947187 DMANREDEZLTRGP-KKHVVHQHSA-N 290.411 2.437 50 40 CEGB Cc1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1ccccc1F 6187681 ORYCZEJIRKLYHV-LLVKDONJSA-N 270.267 2.075 50 40 CEGB C=CC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 5525326 DQIKQVXPIGLXOK-UHFFFAOYSA-N 279.649 2.407 50 40 CEGB O=C(CNc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 251817 LVQRDBUVPTWWCF-LICLKQGHSA-N 298.302 2.157 50 40 CEGB CC(C)C(=O)N/N=C1/C(=O)Nc2c1cccc2C(F)(F)F 17649930 HVRFOCDEHGKLAQ-UHFFFAOYSA-N 299.252 2.134 50 40 CEGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccnc1 44513 IRCDOLXNZVNQCF-ZDUSSCGKSA-N 271.345 2.296 50 40 CEGB Cc1occc1C(=O)NNC(=O)N[C@@H](C)c1ccccc1 32795457 KFIINQWWFSSPQF-JTQLQIEISA-N 287.319 2.293 50 40 CEGB COC(=O)CCCn1c(C)cc(C(=O)CCl)c1C 2651917 IADBMDXLISXLCS-UHFFFAOYSA-N 271.744 2.480 50 40 CEGB O=C(CCl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 3434780 RIZYPZARPUANTD-LLVKDONJSA-N 281.739 2.360 50 40 CEGB Cc1cccc(NC(=O)NNC(=O)c2cccc(O)c2)c1 13984972 QMLVJSXOOUGSRU-UHFFFAOYSA-N 285.303 2.167 50 40 CEGB O=C(NCCCl)[C@H]1Cc2c(ccc3ccccc23)O1 5777285 NVHBUVISLQXQMY-CQSZACIVSA-N 275.735 2.498 50 40 CEGB CN(C)[C@H]1CCCC[C@@H]1N(C(=O)CCl)C1CC1 79406765 RNUXERCARNWTTA-RYUDHWBXSA-N 258.793 2.089 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc(C)nc2)c1 30802971 SIFKCRQCRDLCEA-MFOYZWKCSA-N 269.304 2.163 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2ccccc2N2CCCC2)C1 45958755 LEXWYMDUMHBARB-NSHDSACASA-N 292.766 2.405 50 40 CEGB CC[C@@H](C)n1c(Cc2ccco2)ccc1C(=O)NN 226031449 RHNCGEQBTPNKDH-SNVBAGLBSA-N 261.325 2.246 50 40 CEGB CCOc1ccc2[nH]c(=O)c(/C=C(\C#N)C(=O)OC)cc2c1 421524 DGMLSBJUAZLJBP-KPKJPENVSA-N 298.298 2.007 50 40 CEGB O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(O)cc1 5672511 YWLVLBVOPJLINV-BTZCEYNWSA-N 256.305 2.320 50 40 CEGB Cc1n[nH]c2c1[C@@H](c1ccsc1C)C(C#N)=C(N)O2 18142301 CRXCTRCVYDJYIL-NSHDSACASA-N 272.333 2.306 50 40 CEGB CC(C)(CCOO)Cc1c[n+]([O-])c2ccccc2n1 100913802 LKYJWYYLKPPTIU-UHFFFAOYSA-N 262.309 2.317 50 40 CEGB Cc1ccc(OCC(=O)N/N=C/c2ccccn2)cc1C 529816 ZWNQDWURDZDRCC-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccccc1O 8837831 LKLJRGKJUSGKTF-YBEGLDIGSA-N 286.335 2.393 50 40 CEGB CCOC(=O)NNC(=O)c1cc(C)nc2ccc(C)cc12 36618272 RGZLTOQKKLXSRC-UHFFFAOYSA-N 287.319 2.243 50 40 CEGB O=CN/N=C/c1ccc(OCc2ccccc2)cc1 3225233 LETFWTIMQNMSME-MHWRWJLKSA-N 254.289 2.346 50 40 CEGB Cc1cc(=O)oc2cc(SS(C)(=O)=O)ccc12 22064118 GYNPNNCFCBNXJV-UHFFFAOYSA-N 270.331 2.153 50 40 CEGB in-vitro CCCn1c(=O)c2ccccc2n2c(CCl)nnc12 34593367 MXWAZLHILREOQB-UHFFFAOYSA-N 276.727 2.193 50 40 CEGB COC(=O)[C@@H](Br)c1cc(F)ccc1OC 82586148 KUMPYUMGJZFCIZ-VIFPVBQESA-N 277.089 2.443 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccccc1C(=O)O 580831 NHTWYRKMODYIRH-LDADJPATSA-N 296.326 2.468 50 40 CEGB O=C(N/N=C/c1ccc(Br)o1)c1ccco1 225026 OATPEGGYABOLDP-WUXMJOGZSA-N 283.081 2.399 50 40 CEGB Cc1ccc(S(=O)(=O)N=[S@](C)(=O)CCCl)cc1 17109090 HHTPDAXZVGXWFQ-MRXNPFEDSA-N 295.813 2.020 50 40 CEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccncc2)c1 6312532 BWLYRJHVOAIOHK-YBFXNURJSA-N 296.330 2.194 50 40 CEGB CN1C(=O)C(=C(C#N)C#N)c2cc(Br)ccc21 798627 NCWSQKKIYSBPNR-UHFFFAOYSA-N 288.104 2.226 50 40 CEGB Cn1cc(Cl)c(C(=O)N/N=C/[C@@H]2CC=CCC2)n1 4940399 HYWXHORBFJKNQC-CULDGANSSA-N 266.732 2.145 50 40 CEGB COc1ccc([C@@H](O)CBr)cc1OC 12506224 VAXOJZZUVFJONX-QMMMGPOBSA-N 261.115 2.132 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)OC(C)(C)C)C1 13572099 DEJMBFMJNPPLDP-UHFFFAOYSA-N 254.330 2.289 50 40 CEGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccccc1 100510114 HQDWRFNBMIGLTC-XDHOZWIPSA-N 296.330 2.216 50 40 CEGB Cn1nnc([C@H](Cl)CC(Cl)(Cl)Cl)n1 2323026 JBMWWDJPAPYKEO-GSVOUGTGSA-N 263.943 2.250 50 40 CEGB C[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 100065759 BLUAFEHZUWYNDE-ZIGGYOFNSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro O=C(CCl)Nc1ncc(Br)s1 3276847 DRUYVFJOLFMSOA-UHFFFAOYSA-N 255.524 2.083 50 40 CEGB COCCOC(=O)/C(C#N)=C\Nc1ccc(Cl)c(F)c1 100376433 ZGYCHGZCHWYDON-HJWRWDBZSA-N 298.701 2.488 50 40 CEGB N#CC1=CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 95452923 IUDFAQJASXURAR-UHFFFAOYSA-N 297.362 2.369 50 40 CEGB C[C@@H](Cl)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 5175362 LVLQKRKPDYCVHR-HTQZYQBOSA-N 267.712 2.240 50 40 CEGB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCl 79393677 YNFGEUCDUJWEHM-CQSZACIVSA-N 280.799 2.206 50 40 CEGB O=C1N[C@H](Cc2cccc(Cl)c2Cl)C(=O)O1 1772714777 UELXXCHQGMLPQO-SSDOTTSWSA-N 260.076 2.171 50 40 CEGB COc1ccc(C(=O)N/N=C(\C)c2ccccn2)cc1OC 5164068 RVSZFFNLOBBBAT-WOJGMQOQSA-N 299.330 2.253 50 40 CEGB CN1CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2C1 20238130 CAZGODBMGMHFCR-LBPRGKRZSA-N 285.372 2.331 50 40 CEGB CCCCc1ccc(C(=O)NN)n1Cc1ccccc1 226027018 HVNMWSHDNUEAPV-UHFFFAOYSA-N 271.364 2.483 50 40 CEGB CC(C)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C 5540636 ZBEWAFKUGRPGLQ-UHFFFAOYSA-N 267.716 2.099 50 40 CEGB O=C1C[C@H](Cl)C(=O)N1c1ccc(Br)cc1 16776728 REHJQEADWNUDRY-QMMMGPOBSA-N 288.528 2.320 50 40 CEGB C/C(=N\NC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1 112843 ALMUWYRJSIOTBQ-MHWRWJLKSA-N 284.275 2.144 50 40 CEGB CC(C)N(C(=O)CCl)[C@H]1CC[C@H](N(C)C)CC1 100178313 CJTPXJRTMCBXLF-TXEJJXNPSA-N 260.809 2.335 50 40 CEGB COc1cc(/C(C)=N/NC(N)=O)ccc1SC(F)F 58195011 VYILXJFBTOKKFA-GIDUJCDVSA-N 289.307 2.402 50 40 CEGB C[C@H]1CN(c2ccc(NC(=O)CCl)cc2)C[C@H](C)O1 4054389 RULGFODZFMPBIT-QWRGUYRKSA-N 282.771 2.478 50 40 CEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(O)cc1 409383664 ZGLOHAAPANPCMH-ZROIWOOFSA-N 281.315 2.488 50 40 CEGB COc1ccc(OCC(=O)N/N=C2\C[C@@H]3C=CC[C@H]23)cc1 8182524 NGUISIISESAFAS-PHIFWMLVSA-N 286.331 2.142 50 40 CEGB C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(O)cc1 31776113 HTSFWLZHGCFJMX-UEMWTREESA-N 284.315 2.310 50 40 CEGB CO[C@@H]1OC(C#N)=CC[C@H]1c1ccc2c(c1)OCO2 4268080 GTJVYAQOSWPGIS-SMDDNHRTSA-N 259.261 2.299 50 40 CEGB COc1ccc(/C=N\NC(=O)c2cccc(OC)c2)cc1 33303531 FEZMFAMSVSXLOX-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB CCOc1cc(/C=N/NC(C)=O)c(Cl)cc1OC 409016570 DQUWLIOIUFWYQA-VGOFMYFVSA-N 270.716 2.217 50 40 CEGB COc1cc(NC(=O)[C@@H](C)Br)cc(OC)c1 32919976 DZFWFLKOLJXJBD-SSDOTTSWSA-N 288.141 2.426 50 40 CEGB O[C@@H](CI)C1CCCCC1 238679074 SGLQWURDZKGUIU-QMMMGPOBSA-N 254.111 2.363 50 40 CEGB COc1ccc(-c2nnc(CCl)o2)c(OC)c1 19405884 MVVVNVYBSIDTNS-UHFFFAOYSA-N 254.673 2.493 50 40 CEGB O=C(N/N=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 242690 QTIIJKYOTTVUBF-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB O=C1CCN(Cc2ccccc2)C[C@@H]1Br 34122428 WYAPDFWEFUDKDF-NSHDSACASA-N 268.154 2.225 50 40 CEGB in-vitro CNC(=O)[C@]12CC[C@](C)([C@H]1Br)C2(C)C 6763623 LYQBNJYQQIFZHD-ONOSFVFSSA-N 260.175 2.322 50 40 CEGB COc1ccc(OCc2noc(CCl)n2)cc1 9738464 NXQXDXDFLCIEAF-UHFFFAOYSA-N 254.673 2.396 50 40 CEGB Cc1ccc(Cl)cc1Nc1nc(CC(=O)NN)cs1 223450685 DCGSTEAQVMQECH-UHFFFAOYSA-N 296.783 2.381 50 40 CEGB C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 100029908 BLUAFEHZUWYNDE-VTETZDLJSA-N 282.336 2.395 50 40 CEGB N#CCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 5671981 HLKXLHSIIXUFIZ-FRKPEAEDSA-N 255.199 2.069 50 40 CEGB CN(C)C[C@H]1CCCC[C@@H]1OC(=O)C(Cl)Cl 3185358 YGKRJMHSTPSNRS-BDAKNGLRSA-N 268.184 2.454 50 40 CEGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)OC(C)(C)C 4599366 MWJNNGKDQLDABO-GMROUXNLSA-N 272.345 2.476 50 40 CEGB COc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cc1OC 5527278 CKIBDWQTLIMSTQ-AHKYEJPQSA-N 286.331 2.386 50 40 CEGB CC(C)C(=O)NNC1=CC(=O)C[C@H](c2ccccc2)C1 408751518 SDFXHBFJYXWGOG-CYBMUJFWSA-N 272.348 2.294 50 40 CEGB CCCCc1nn2c(=O)cc(CCl)nc2s1 15416984 SDRUYUTWFVJKAI-UHFFFAOYSA-N 257.746 2.232 50 40 CEGB O/N=C(\CBr)c1cnc2ccccc2n1 6865013 SPPFIASTCLXQRU-NTEUORMPSA-N 266.098 2.203 50 40 CEGB CC(C)CC(=O)NNC(=O)c1ccc(Br)cc1 9219239 DVRFLHVPTYXRSO-UHFFFAOYSA-N 299.168 2.256 50 40 CEGB Cc1nn(C)cc1/C=C(\C#N)c1nc2ccccc2c(=O)[nH]1 6412599 LNCKGIIWHURVII-YRNVUSSQSA-N 291.314 2.029 50 40 CEGB O=C(CCl)NC[C@@H]1CCCCN1Cc1ccccc1 79393663 FTAHIWDHVFXLKO-AWEZNQCLSA-N 280.799 2.396 50 40 CEGB Cc1c(-c2ccc(/C=C/C(=O)NN)o2)cccc1[N+](=O)[O-] 226257587 XJIZEMRUDMATNG-SOFGYWHQSA-N 287.275 2.166 50 40 CEGB Cc1n[nH]c2c1C1(CCCCCC1)C(C#N)=C(N)O2 5640631 GSRDSXCPXRPIGR-UHFFFAOYSA-N 258.325 2.396 50 40 CEGB N#CC1=C2CCC[C@@H]2[C@@]2(NC1=S)C(=O)Nc1ccccc12 4293381 PDFHNRUAYLJQHF-ZBEGNZNMSA-N 295.367 2.385 50 40 CEGB Cc1ccc(N2CCOCC2)c(NC(=O)CCl)c1 34776708 FTAYKOXRHWTSKC-UHFFFAOYSA-N 268.744 2.009 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc(N)cc2)c1OC 13371691 JVOQLWJCBJKTQN-ZDLGFXPLSA-N 299.330 2.050 50 40 CEGB CC(/C=N\NC(=O)c1cnccn1)=C\c1ccccc1 32576834 PSYVCDUKYHYIAD-ZTFBWAHWSA-N 266.304 2.296 50 40 CEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccs1 32530945 VFDJBONGRCUTMO-NTUHNPAUSA-N 291.288 2.126 50 40 CEGB Cc1ccc(CC(=O)N/N=C/c2ccccc2O)cc1 512162 PERTYMSLBDJQDR-GZTJUZNOSA-N 268.316 2.393 50 40 CEGB COc1ccc(/C=C(/C#N)C(=O)NCc2cccnc2)cc1 12880793 VTOVQYQQXXCICN-DHDCSXOGSA-N 293.326 2.314 50 40 CEGB NC(=O)N/N=C1\CCC[C@H](OC(=O)c2ccccc2)CC1 5051880 AFAGCEKCHDSFKY-VLURKWGBSA-N 289.335 2.200 50 40 CEGB O=S(=O)(/N=C(\O)CCl)c1ccc(Cl)cc1 39657 AEDITMBSCXEORZ-UHFFFAOYSA-N 268.121 2.224 50 40 CEGB COc1ccccc1OCC(=O)N/N=C/c1cccs1 510869 MMHOMRGCLNZYCU-OQLLNIDSSA-N 290.344 2.286 50 40 CEGB N#Cc1ccccc1CSCCNC(=O)CCl 4206289 UKIHPRIAZKEALQ-UHFFFAOYSA-N 268.769 2.146 50 40 CEGB COc1cc2c(cc1OC)C(=O)[C@@H](Br)C2 19727223 NSPWDODUFKPVMO-QMMMGPOBSA-N 271.110 2.206 50 40 CEGB COCCNC(=O)/C(C#N)=C/C1=Cc2ccccc2O[C@H]1C 6455715 BXUGGFIHZCCFFZ-XBUHWIKASA-N 298.342 2.063 50 40 CEGB CC(=O)N/N=C/c1c(C)nn(Cc2ccccc2)c1Cl 7946852 GWPMQRZTDUJUFF-LZYBPNLTSA-N 290.754 2.363 50 40 CEGB CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2ccccc21 223194476 XVYBKRIPOLBGGU-NSHDSACASA-N 259.353 2.067 50 40 CEGB COC(=O)N(C)NC(=O)Nc1c(C)cccc1C 585140476 FJGPXFHHAFSVQL-UHFFFAOYSA-N 251.286 2.038 50 40 CEGB N#CCC(=O)N/N=C/c1c(Cl)cccc1Cl 59695 OKXQHWDZJDMFMC-MKMNVTDBSA-N 256.092 2.357 50 40 CEGB N#C/C(=C\c1ccc(-c2ccc(C(N)=O)cc2)o1)C(=O)O 12374706 RQDKPBFBQVWJBA-YRNVUSSQSA-N 282.255 2.037 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccncc1 1601717 FBRHTQYVXDXPMH-WOJGMQOQSA-N 265.316 2.334 50 40 CEGB Cc1n[nH]c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 4786128 CNFUFPBSUICSDC-CQSZACIVSA-N 291.314 2.418 50 40 CEGB CC(C)NC(=O)/C(C#N)=C/c1cc(F)ccc1F 40139631 IJQWBKUNVHZELB-BJMVGYQFSA-N 250.248 2.396 50 40 CEGB COc1ccc(OCC(=O)N/N=C(\C)c2ccco2)cc1 587121 NLIYZQQBTABOMC-LFIBNONCSA-N 288.303 2.207 50 40 CEGB C=CCOc1ccc(/C=C(\C#N)C(N)=O)cc1OCC 6945433 ICJRXLPTYSFWER-XYOKQWHBSA-N 272.304 2.042 50 40 CEGB CCc1nnc(NC(=O)[C@@H](Br)CC)s1 12062423 PBCULBGTDITBQM-YFKPBYRVSA-N 278.175 2.213 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cc(OC)cc(OC)c1 12139501 YQEAPZFVHMNJMG-MDZDMXLPSA-N 276.292 2.086 50 40 CEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(O)cc1 13682938 UQXBBUGVXOBMPE-LICLKQGHSA-N 298.298 2.275 50 40 CEGB N#C/C(=C/c1ccncc1)C(=O)NCc1ccccc1 5741026 JGNYTGFSGUFNSH-GDNBJRDFSA-N 263.300 2.305 50 40 CEGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)o1 408918421 KHAYRWYTVAKJJT-XNTDXEJSSA-N 275.308 2.483 50 40 CEGB CCOC(=O)N/N=C\C=C\c1ccccc1[N+](=O)[O-] 15953144 MJWJQNNNSOEOTB-HUZLQASOSA-N 263.253 2.340 50 40 CEGB CN(C)C[C@H]1CCCCC[C@H](Br)[C@@H]1O 4962524 SODWHFWWJDWGHK-OUAUKWLOSA-N 264.207 2.253 50 40 CEGB O=C(O)/C=C\C(=O)NNc1ccc(Cl)cc1Cl 100483151 NPQMCIIBDCJHHP-ARJAWSKDSA-N 275.091 2.077 50 40 CEGB O=C(NNC(=O)C1CCCCC1)c1cccc(F)c1 11639160 KILCLYPRWAGZOU-UHFFFAOYSA-N 264.300 2.167 50 40 CEGB O=C(NNC(=O)c1cc(-c2ccccc2)no1)c1ccco1 46668797 GWRDFLWEYVSXPS-UHFFFAOYSA-N 297.270 2.009 50 40 CEGB Cc1c(C[C@H]2CC(=O)OC2=O)c2ccccc2n1C 100494171 CMPALHQNCRRWKG-JTQLQIEISA-N 257.289 2.119 50 40 CEGB O=C(N/N=C\c1ccccc1)N/N=C/c1ccccc1 31628885 AUOMJAPPVCBXBJ-QJWWANOYSA-N 266.304 2.354 50 40 CEGB C[C@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(F)ccc21 223830754 RWWSESANQVZSOU-UWVGGRQHSA-N 279.359 2.296 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1 238965 XSEYUWAEVJDNQP-LFIBNONCSA-N 283.287 2.288 50 40 CEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc2ccccc12 104610986 GNUJTJCHZXDAHP-PTNGSMBKSA-N 294.310 2.322 50 40 CEGB Cc1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cn2)cc1 6266973 QRWMPMAKLJNAFM-UHFFFAOYSA-N 287.279 2.447 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)cn1 101645853 AWNWHUJWOFUVKV-SOFGYWHQSA-N 251.673 2.117 50 40 CEGB CC(=O)Nc1ccc(S(=O)(=O)CCCCl)cc1 19788734 VRKKNDAXAMMISK-UHFFFAOYSA-N 275.757 2.048 50 40 CEGB COC(=O)C1=C/C(=C2/SSN=C2Cl)C(=O)C=C1 32165711 WDEILBHFZUQGNA-VURMDHGXSA-N 287.749 2.426 50 40 CEGB N#C/C(=C/N1CCNC1=S)c1nc2ccccc2s1 17223476 QKBYJDMXURIJTE-HJWRWDBZSA-N 286.385 2.351 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC=CCC1 24304493 OTKKDCUHXWPBKL-LBPRGKRZSA-N 292.766 2.386 50 40 CEGB CCCN1CCC(=NNC(=O)c2cccs2)CC1 55074116 XGOLBUSTBSVGIK-UHFFFAOYSA-N 265.382 2.340 50 40 CEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CC1 5578960 NCMJYNIJLBAENI-UHFFFAOYSA-N 276.380 2.150 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccc(C)o2)cc1OC 33782077 UWJLMKRADKIWCP-SXGWCWSVSA-N 288.303 2.369 50 40 CEGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1O 492366 XOTFCWDYZATHBY-PBSOMRJOSA-N 284.315 2.310 50 40 CEGB C=C(Cl)CN(CC(=C)Cl)NC(=O)OCC 1604005 VEGDBTIVEYVBKT-UHFFFAOYSA-N 253.129 2.455 50 40 CEGB O=C(NC[C@@H]1CCCO1)NN=C1C2CC3CC(C2)CC1C3 64911944 AZPXJZRCDYAZPK-JVUSGKFHSA-N 291.395 2.277 50 40 CEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1 5824667 OQONSQOPWISYHB-UHFFFAOYSA-N 288.734 2.344 50 40 CEGB COc1cccc(/C=N\NC(=O)Cc2ccccc2)c1 33284822 SZUPGLNVXGBDTK-ATVHPVEESA-N 268.316 2.388 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(C)n2)cc1 263152 XTVFMFKFIGSTTF-LICLKQGHSA-N 296.330 2.112 50 40 CEGB Cn1/c(=N\NC(=O)c2ccccc2)sc2ccccc21 104924117 USLHJYKTDPTLTC-BMRADRMJSA-N 283.356 2.486 50 40 CEGB COc1ccc(C(=O)N/N=C/c2cccc(C)n2)cc1OC 59484725 VNZLGTLZIAPDQX-LICLKQGHSA-N 299.330 2.171 50 40 CEGB COc1cccc(/C=C(\C#N)C(=O)NC2CCCC2)c1O 409190854 RKUUOHAMUGKAIO-FMIVXFBMSA-N 286.331 2.367 50 40 CEGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(C)c1C 408777584 CNVPNQBLKRLCOH-ZROIWOOFSA-N 259.353 2.417 50 40 CEGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1 34629338 KCOKSVAYPCJBGA-YVLHZVERSA-N 297.314 2.115 50 40 CEGB O=C(CCl)N(Cc1cccc2c1OCCO2)C1CC1 79421430 SNSZRHJJWIAVAV-UHFFFAOYSA-N 281.739 2.188 50 40 CEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccco2)c1 566321 GMRDEPJDJHPKOF-CXUHLZMHSA-N 272.304 2.426 50 40 CEGB COC(=O)N[C@H]1CCCC[C@H]1I 1708284 YLUSDZORDPJHJE-RQJHMYQMSA-N 283.109 2.089 50 40 CEGB COc1cccc(C(=O)N/N=C\c2ccc(O)cc2)c1 107795404 HWXCUWRSSBFAMW-YBEGLDIGSA-N 270.288 2.165 50 40 CEGB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Cl 2647830 LUKTUOKMZDUYRP-JTQLQIEISA-N 282.771 2.273 50 40 CEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(O)cc1 7041473 OPYGLACUVAPHFP-LICLKQGHSA-N 294.314 2.112 50 40 CEGB C[C@H](Sc1ncccn1)C(=O)NN=C1CCCCC1 71440 LGILKUNYVDLRCE-JTQLQIEISA-N 278.381 2.394 50 40 CEGB CCCC(=O)NNC(=O)c1ccc(N(CC)CC)cc1 12548981 VFTSDCIIVXVHCW-UHFFFAOYSA-N 277.368 2.094 50 40 CEGB COc1ccc(C[C@H](Br)C(=O)O)c(OC)c1 107843381 QGOWSVDGIRKTNZ-VIFPVBQESA-N 289.125 2.094 50 40 CEGB CCOC(=O)C/C(C)=N/NC(=O)c1ccc(OCC)cc1 4178043 KFIVIQRMDBZTGC-LFIBNONCSA-N 292.335 2.144 50 40 CEGB CCCCCC(=O)N/N=C(\C)Cn1nc([N+](=O)[O-])cc1C 4646477 QTYTZJVKERHSFL-GXDHUFHOSA-N 295.343 2.172 50 40 CEGB COc1ccc(N/N=C2\C(=O)OC(=O)c3ccccc32)cc1 95676899 NQEDJYAJSOLMFV-JXAWBTAJSA-N 296.282 2.208 50 40 CEGB C/C(=C\C(=O)C(C)(C)C)NNC(=O)Cc1ccccc1 408722653 BDWKJZYSAJNOHC-ZRDIBKRKSA-N 274.364 2.369 50 40 CEGB N#CS[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 32604878 ANWCQPNXCHWURH-LLVKDONJSA-N 291.376 2.243 50 40 CEGB CN1CCCC[C@@H]1C(=O)N/N=C/c1ccccc1Cl 5668694 NPHAEJSWSOHEQP-BVTUPMQUSA-N 279.771 2.274 50 40 CEGB Cc1nc2cc(C(=O)N/N=C/c3ccccc3O)ccc2[nH]1 67674 BZGSKAHRQJUXTK-RQZCQDPDSA-N 294.314 2.341 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccccn1 563994 AIYRXMRVMBSWRS-CPNJWEJPSA-N 294.358 2.446 50 40 CEGB Cc1cc(C)nc(N2N[C@@H](c3ccccc3)C(C#N)=C2O)n1 4992878 QFZYUSOJPCQAEU-AWEZNQCLSA-N 293.330 2.453 50 40 CEGB CCC(=O)NNC(=S)Nc1ccccc1C(F)(F)F 6388810 AKQGJDWRTXBIFZ-UHFFFAOYSA-N 291.298 2.433 50 40 CEGB CCOC(=O)/C(C#N)=C1/SCC(=O)N1c1ccccc1 6843401 QQVPXOPLUXBLIZ-ACCUITESSA-N 288.328 2.065 50 40 CEGB Cn1c(C(=O)CBr)nc2ccccc21 4262659 KHFRWYRANOMZCP-UHFFFAOYSA-N 253.099 2.151 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccccc1Cl 6397655 FFOPHBRSAAMWQP-UHFFFAOYSA-N 271.773 2.458 50 40 CEGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC#N 408544201 TWOUWMFXDSKIJW-XFFZJAGNSA-N 287.344 2.181 50 40 CEGB COC(=O)Cc1cc(F)cc(CBr)c1 169796735 NKJJEPOJMPSJSB-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB CNC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1C 1095474 HZOCEQCHPHNORZ-UVTDQMKNSA-N 269.348 2.248 50 40 CEGB C[C@H]1C[C@H]1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 15902387 DMQNEJADIPZSHO-FYBHJDENSA-N 290.407 2.396 50 40 CEGB COc1cc(NC(=O)CCl)c(C)cc1[N+](=O)[O-] 5516885 DVKLSAODRDRXGI-UHFFFAOYSA-N 258.661 2.089 50 40 CEGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1C 408785555 HLBRHCFRHLNWQF-SXGWCWSVSA-N 271.320 2.111 50 40 CEGB O=[N+]([O-])c1ccc(OCc2noc(CCl)n2)cc1 166479 ZSDGQKTYLGPRGC-UHFFFAOYSA-N 269.644 2.296 50 40 CEGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 16448895 CWEYJXAXDSHDEH-XFXZXTDPSA-N 271.276 2.124 50 40 CEGB NNC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)n1 225310513 QRHBHWJRKOODJI-UHFFFAOYSA-N 296.305 2.282 50 40 CEGB CCOC(=O)OC[C@H](Br)C(F)(F)F 1083809194 WUMZWYPSTWRMLJ-BYPYZUCNSA-N 265.025 2.485 50 40 CEGB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCl 9428941 BQZRGLAFVCDYPJ-UHFFFAOYSA-N 291.782 2.403 50 40 CEGB Cc1cccc2c1N(CC(=O)NN)C(C)(C)C[C@@H]2C 223189569 RIODIIJEFZPHMD-NSHDSACASA-N 261.369 2.077 50 40 CEGB Cc1ccccc1/C=N/NC(=O)c1ccccc1N 45697 PLKFOXHVZNOQKE-LICLKQGHSA-N 253.305 2.341 50 40 CEGB Cc1occc1C(=O)NNC(=O)Nc1ccccc1 524997 OAOSAIABPUWDBG-UHFFFAOYSA-N 259.265 2.055 50 40 CEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccncc1 3068677 QLYRWHSAXHCBEQ-WOJGMQOQSA-N 299.330 2.009 50 40 CEGB C=CCOC(=O)[C@](C)(O)[C@H](Cl)c1ccccc1 1734209 LCDVPJINJIWRFP-DGCLKSJQSA-N 254.713 2.447 50 40 CEGB O=C(N/N=C/c1cccc(O)c1O)c1c[nH]c2ccccc12 3526962 BYCKVBNOJIFFDO-QGMBQPNBSA-N 295.298 2.343 50 40 CEGB CC(C)(C)NC1=NC[C@H](CI)S1 6692929 IWRMZYDOFRLASX-LURJTMIESA-N 298.193 2.281 50 40 CEGB NNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 226235385 POZQIEQFWOENIA-UHFFFAOYSA-N 286.722 2.487 50 40 CEGB Cc1cccc2c1N([C@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 260616318 ILIOQWJSPABTIS-NWDGAFQWSA-N 275.396 2.466 50 40 CEGB O=C(O)c1cccc(CBr)c1[N+](=O)[O-] 36893572 FOMMPVJYOGJALW-UHFFFAOYSA-N 260.043 2.188 50 40 CEGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1O 516810 JEDBSJJBJNRMBK-WOJGMQOQSA-N 298.342 2.402 50 40 CEGB O=C(N/N=C\c1ccc2ccccc2n1)c1ccncc1 103738974 CYUBXTHNPFNGQN-WQRHYEAKSA-N 276.299 2.394 50 40 CEGB Cc1ccc(CN2C[C@H](C(=O)Cl)CC2=O)cc1 95919642 QAPURHNISUPNCY-LLVKDONJSA-N 251.713 2.109 50 40 CEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cccs1 6210448 HSPLEDQPVWRLJC-OQLLNIDSSA-N 284.344 2.468 50 40 CEGB O=[N+]([O-])c1ccc(NS(=O)(=O)CCCCCl)cc1 4276800 GWBYZSOJKKIYGC-UHFFFAOYSA-N 292.744 2.356 50 40 CEGB COC(=O)N[C@H](NC(=N)c1ccccc1)C(Cl)Cl 3012304 XDZIHHXCCXYOEZ-JTQLQIEISA-N 290.150 2.087 50 40 CEGB O=C(O)COc1cccc(N(CCCl)CCCl)c1 1672695 UZTZPJJLKNUFLV-UHFFFAOYSA-N 292.162 2.434 50 40 CEGB O=C(Cl)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 100680174 BJDSCMRQAMPSKL-QMMMGPOBSA-N 286.114 2.184 50 40 CEGB Cc1cccc(/C=N/NC(=O)c2ccoc2C)c1O 4150792 HPIJMYXCNGGLDF-OVCLIPMQSA-N 258.277 2.366 50 40 CEGB O=C(CN1CCCC1)N/N=C/c1c(O)ccc2ccccc12 4696717 WEKHAHHLTDKMPK-WOJGMQOQSA-N 297.358 2.091 50 40 CEGB COC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 7007618 ONYWACZIQXKBDX-UHFFFAOYSA-N 280.324 2.112 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12 408863919 RCBKRGWZJOHJQQ-JLHYYAGUSA-N 297.358 2.156 50 40 CEGB CS(=O)(=O)c1ncc(CCl)n1CCc1ccccc1 47219286 PSFSNIKRYQUCIC-UHFFFAOYSA-N 298.795 2.268 50 40 CEGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(C)cc1 96518946 LGTGUJPDWDJISU-QWRGUYRKSA-N 262.758 2.028 50 40 CEGB C=CCN1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C1=O 299803706 VLPYOXOQOSFIDR-JTQLQIEISA-N 269.417 2.322 50 40 CEGB O=C1N[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O1 1772714778 UELXXCHQGMLPQO-ZETCQYMHSA-N 260.076 2.171 50 40 CEGB CCN(CC)c1nc(Cl)nc(NCCCl)n1 16855435 SPMCIXHAAYXXLD-UHFFFAOYSA-N 264.160 2.022 50 40 CEGB CSC(SC)=C(C#N)S(=O)(=O)C(C)C 124876 LNYYTENCHXMOOZ-UHFFFAOYSA-N 251.398 2.228 50 40 CEGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8973127 FVIPZDFKQWHLSD-AWEZNQCLSA-N 296.330 2.335 50 40 CEGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccnc1 564000 WTOUZBNGFQXBLD-XDHOZWIPSA-N 294.358 2.446 50 40 CEGB Cc1[nH]c(=S)[nH]c(=O)c1CN(CCCl)CCCl 1562091 AZXCUOMVEXRBFD-UHFFFAOYSA-N 296.223 2.021 50 40 CEGB O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccncc1 2360373 ALVBNBDHRRMTDX-RJMXLKIRSA-N 296.286 2.419 50 40 CEGB Cc1occc1C(=O)NNC(=O)/C=C/c1cccc(F)c1 8351186 SBVYVFUVJXHQFA-AATRIKPKSA-N 288.278 2.202 50 40 CEGB O=C(N/N=C\c1ccncc1)c1ccccc1Cl 32564183 BBNRPLVVGHJIPV-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB Cc1ccc2c(c1)N([C@@H](C)C(=O)NN)C(C)(C)C[C@H]2C 260621883 PPHQPEUVMYJLCU-NEPJUHHUSA-N 275.396 2.466 50 40 CEGB CCCCOC(=O)[C@H](C)OC(=O)NNc1ccccc1 1600624 BTETVQWXCGDAHM-NSHDSACASA-N 280.324 2.472 50 40 CEGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1ccccc1O 4178049 HTZKKYNNKBGMRZ-HPUUJOOBSA-N 292.335 2.087 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccc(O)c(O)c1 4178176 XNQVUCMXJKTEAJ-GZTJUZNOSA-N 284.315 2.181 50 40 CEGB NNC(=O)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 226235449 VDIAEIHOBRSTSS-UHFFFAOYSA-N 286.722 2.487 50 40 CEGB COCCNC(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1 254992357 KZQJEABIVGTVEV-GXDHUFHOSA-N 288.347 2.143 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 80428 BUJADRAIFAJMLJ-LICLKQGHSA-N 282.299 2.108 50 40 CEGB CCOC(=O)NNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 23750768 WADDONFAEOUWTF-UWVGGRQHSA-N 254.330 2.002 50 40 CEGB Cc1ccc2nc(-c3ccco3)cc(C(=O)NN)c2c1 6279274 FYTRKNKHUVSTHR-UHFFFAOYSA-N 267.288 2.407 50 40 CEGB N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(N)=O 160644 ZWHNWDFKHGXXOD-LZCJLJQNSA-N 257.076 2.091 50 40 CEGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)[nH]1 8333223 VXQGBXZTERXFBC-RIYZIHGNSA-N 261.350 2.386 50 40 CEGB CC[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCC2 25148059 ZYBCSGYSXQMWCJ-SECBINFHSA-N 280.393 2.434 50 40 CEGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(N)=O 566364 PZZKOZDJCYEQJX-VQHVLOKHSA-N 256.236 2.478 50 40 CEGB N#C/C(=C\c1cccc(O)c1)C(=O)N1CCCCC1 1408575 NPFJAUFIEAMLBA-UKTHLTGXSA-N 256.305 2.312 50 40 CEGB O=C(NNC(=O)c1ccc(Cl)s1)c1ccco1 8355131 HSSOBHHZOZRXGC-UHFFFAOYSA-N 270.697 2.069 50 40 CEGB COc1ccc(/C=N\NC(=O)Cc2ccccc2)c(OC)c1 33322018 WUFJQERHXRWLKR-PDGQHHTCSA-N 298.342 2.397 50 40 CEGB N#CCC(=O)N/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1 36611916 UKWGCIYKAXMWLL-BVTAMENCSA-N 292.682 2.190 50 40 CEGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccccn1 33294582 XMYMYMUOGAQZBT-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB O=C(NN=Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 254442435 UOPTUQNQIMJNGQ-UHFFFAOYSA-N 285.259 2.064 50 40 CEGB CCOC(=O)c1c(C)c(C(=O)OCC)n(C)c1CCl 257229047 FWMQBCAZBMBHJT-UHFFFAOYSA-N 287.743 2.426 50 40 CEGB COc1cccc(/C(C)=N\NC(=O)c2ccco2)c1 19835490 BIGHXHLLDFQHOB-GDNBJRDFSA-N 258.277 2.442 50 40 CEGB CCCC/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4405383 QDJCPFYMQYWRAG-WLRTZDKTSA-N 294.267 2.409 50 40 CEGB COc1cccc(/C=N/NC(N)=O)c1OCc1ccccc1 549087 QFJGWGAFJLQGNP-VCHYOVAHSA-N 299.330 2.276 50 40 CEGB CC1=NN(C(=O)CC(C)C)[C@](C)(NNC(=O)CC(C)C)C1 302995 BKMPOWWLPZWNGX-HNNXBMFYSA-N 296.415 2.024 50 40 CEGB COC(=O)/C(C#N)=C(/SC)[C@@H]1CCCC1=C(C#N)C#N 100993091 NBIGVGUQOPLKDV-GXZRWPEMSA-N 287.344 2.444 50 40 CEGB CC(C)c1[nH]nc2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 5633530 CVLQSHHVWJJIQY-GFCCVEGCSA-N 296.330 2.457 50 40 CEGB CC(=O)Nc1ccccc1C(=O)CBr 3844972 YLLLGHVLWVDLIR-UHFFFAOYSA-N 256.099 2.223 50 40 CEGB biogenic CCCCn1c(CCC(C)C)ccc1C(=O)NN 226024998 KCECMTQXDBOXFK-UHFFFAOYSA-N 251.374 2.480 50 40 CEGB CS(=O)(=O)C1(c2nc(CCl)cs2)CCC1 96531960 KJLZEXQTXPNWIA-UHFFFAOYSA-N 265.787 2.306 50 40 CEGB C/C=N/NC(=O)CCCCCNC(=O)c1ccccc1 5382399 PVQIDWFVBYPJDY-LAZPYJJCSA-N 275.352 2.099 50 40 CEGB O=C(N/N=C/c1cc(Br)ccc1O)C1CC1 511019 WKFUJYJTFBMLBS-AWNIVKPZSA-N 283.125 2.015 50 40 CEGB Cn1cccc1/C=N/NC(=O)COc1ccccc1Cl 566419 FTUKKCKOKNMIBC-CXUHLZMHSA-N 291.738 2.208 50 40 CEGB O=C(N/N=C/c1ccc(Br)s1)C1CC1 2790422 TUGTXLWQKAGMJI-VZUCSPMQSA-N 273.155 2.371 50 40 CEGB COc1ccc(/C=C/C(=O)N/N=C\c2ccccn2)cc1 409058774 LDDXTHVMQOWRPZ-PHDJUTGNSA-N 281.315 2.254 50 40 CEGB CCN(C(=O)CCl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 79392499 OTZYBKCXUPUDMP-JTQLQIEISA-N 290.791 2.083 50 40 CEGB Cc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)c(C)c1 33435316 OIJAVUGGQNGTSX-JTQLQIEISA-N 251.713 2.422 50 40 CEGB COC(=O)N[C@H]1CC=C[C@@H](C)[C@H]1I 45069454 RQOHCIVUEPWJAJ-GJMOJQLCSA-N 295.120 2.111 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1 247669 GUEFLPCYJCZKAU-NTEUORMPSA-N 289.316 2.349 50 40 CEGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O 100034394 HWZGSIXZUAIEFP-MHWRWJLKSA-N 299.286 2.454 50 40 CEGB Cc1nn(C)c(=O)c(-c2nc(CCl)cs2)c1C 12760896 QOQVBPHWFDJNBM-UHFFFAOYSA-N 269.757 2.259 50 40 CEGB Cc1nonc1C(=O)N/N=C/c1c(O)ccc2ccccc12 5537542 HORAJDKRCYHGMY-LZYBPNLTSA-N 296.286 2.001 50 40 CEGB O=[N+]([O-])c1cc(CBr)cc([N+](=O)[O-])c1 34173815 PVJNFIVPIQXQLZ-UHFFFAOYSA-N 261.031 2.398 50 40 CEGB O[C@H](CBr)c1cccnc1C(F)F 242463886 DPIFQORJEAYMEF-ZCFIWIBFSA-N 252.058 2.448 50 40 CEGB CCN(CCCl)C[C@H]1COc2ccccc2O1 95849784 BBKJOXYHLYDPEC-NSHDSACASA-N 255.745 2.387 50 40 CEGB CCn1c(C)cc(C(=O)NNC(=O)c2ccccc2)c1C 12510614 PFYURFNOQRNVAV-UHFFFAOYSA-N 285.347 2.200 50 40 CEGB O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1ccccc1O 17022743 HHNUQTWHVVKYHD-QPEQYQDCSA-N 291.288 2.126 50 40 CEGB O=C(N/N=C\c1c(O)ccc2ccccc12)C1CC1 17328063 BJRRKRXUCGHUGX-SXGWCWSVSA-N 254.289 2.406 50 40 CEGB O=C(CSc1ccccn1)N/N=C/c1cccc(F)c1 208418 GZCDVUGSSWSQBY-RQZCQDPDSA-N 289.335 2.463 50 40 CEGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H](O)c1ccccc1 497695 XZPRGEIKKWWZRI-ZVCOJXFSSA-N 293.326 2.352 50 40 CEGB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl 915628 HWTUYWOUWHLNKW-SECBINFHSA-N 250.729 2.454 50 40 CEGB CC(C)COc1ccc(S(=O)(=O)NCCCl)cc1 2227019 OFOZRASXQOWGRV-UHFFFAOYSA-N 291.800 2.239 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccc(O)cc2)c1 28565321 BFUGJZDVPRZADX-CXUHLZMHSA-N 270.288 2.170 50 40 CEGB N#C/C(=C/Nc1ccc(C(F)(F)F)cc1)c1nnn[nH]1 5252855 OPXGDFRMLLJYDK-SREVYHEPSA-N 280.213 2.195 50 40 CEGB CCOc1cccc(/C=N/NC(=O)Cc2cccn2C)c1 6488553 YENZZOJEZWCLLI-SFQUDFHCSA-N 285.347 2.117 50 40 CEGB Cc1ccc(/N=N/C(C#N)=C(\N)N2CCOCC2)cc1 4602152 HCDRZCOFSNALKD-WSPGMDLHSA-N 271.324 2.062 50 40 CEGB CCOc1cccc(C(=O)N/N=C/c2ccoc2)c1 15934128 IMYALGGOXGNNPH-OQLLNIDSSA-N 258.277 2.442 50 40 CEGB O=C(COc1ccc(F)cc1)NN=C(CCl)CCl 409351042 XBIFULYAMWSYEJ-UHFFFAOYSA-N 293.125 2.154 50 40 CEGB C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43242043 BJDCWCLMFKKGEE-ITYWPALDSA-N 284.352 2.187 50 40 CEGB COC(=O)N/N=C(C)\C=C\c1ccc2c(c1)OCO2 85881225 BZMGBWKEKBRAAP-JWPZEYBRSA-N 262.265 2.160 50 40 CEGB C[C@@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(F)cc21 260621834 PEYNAIFVBAHZSO-NXEZZACHSA-N 279.359 2.296 50 40 CEGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 5672542 XZCXLOLVLAMXCF-LZYBPNLTSA-N 274.251 2.001 50 40 CEGB Cn1c(SC[C@H](O)CCl)nnc1-c1ccccc1 496206 ZYUHFPMOGSEIIC-SNVBAGLBSA-N 283.784 2.174 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cccc(Br)c1 59333706 AHZHMFUUIABNCG-POHAHGRESA-N 279.137 2.444 50 40 CEGB CCN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCl)C1 79414876 BCWFPVUYDOYBGQ-CQSZACIVSA-N 280.799 2.348 50 40 CEGB [N-]=[N+]=NCCSSCCOCCOCCC(=O)O 888086825 UGKCXCCDJZIEBX-UHFFFAOYSA-N 295.386 2.186 50 40 CEGB FC(F)(F)COCCI 82880243 MDYGJFTWDXOXIK-UHFFFAOYSA-N 253.989 2.000 50 40 CEGB NNC(=O)c1cccc(OCc2ccccc2F)c1 226318581 NERSAAQVXCUDMA-UHFFFAOYSA-N 260.268 2.008 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccco2)c(OC)c1 227784 OOKFYVNMXKQRKK-OQLLNIDSSA-N 274.276 2.061 50 40 CEGB C/C(=C\C(=O)c1cccnc1)NNC(=O)c1ccc(C)cc1 4697240 AASUHPIUDDXXSP-JLHYYAGUSA-N 295.342 2.411 50 40 CEGB CNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1OC 409243850 VGISSCRYERKVHF-UVTDQMKNSA-N 299.374 2.338 50 40 CEGB CC(C)Oc1ccc(/C=N/NC(N)=O)c(OC(C)C)c1 33789609 AMYNFQWRXOGGJW-LZYBPNLTSA-N 279.340 2.263 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(Cl)cc1 223703396 FUJHHWAUYYVTDD-UHFFFAOYSA-N 263.728 2.351 50 40 CEGB C[N+](C)(C)CC(=O)N/N=C/c1ccc(Cl)cc1Cl 1847125 KSSJBIRHPFDLCD-VIZOYTHASA-O 289.186 2.150 50 40 CEGB CCOC(=O)c1ccc(NC(=O)CCCl)cc1 1672711 WOLPLPZMTRNANU-UHFFFAOYSA-N 255.701 2.431 50 40 CEGB O=C(CCl)NC1CCC(Br)CC1 100201690 FDRGNHDQXTVUPD-UHFFFAOYSA-N 254.555 2.048 50 40 CEGB COc1ccc(OC)c([C@H](C)NC(=O)CCl)c1 2805062 KJGIQORERUZKTM-QMMMGPOBSA-N 257.717 2.120 50 40 CEGB O=C(NNC(=O)c1cccs1)c1ccc2ccccc2n1 6451792 NUMIJTDFMSUGSL-UHFFFAOYSA-N 297.339 2.371 50 40 CEGB CC1=C[C@@]2(Nc3cc(C)ccc3O2)C(C#N)=C(N)O1 40545174 LVHZIQSDPWTVOF-AWEZNQCLSA-N 255.277 2.124 50 40 CEGB Cc1cc2c(cc1CNC(=O)CCl)OCCCO2 97896994 YGTOVIXRQSLUKV-UHFFFAOYSA-N 269.728 2.011 50 40 CEGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1O 254121 HSLJCVFRPDQHIY-RQZCQDPDSA-N 288.278 2.304 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccc(CN2CCOCC2)cc1 40430291 SURQMZLCMCZUDE-NSHDSACASA-N 282.771 2.085 50 40 CEGB C[C@H](OC[C@H]1CCCCO1)C(=O)NN(C)c1ccccc1 106575749 VWRKYTBNHHTTHG-DZGCQCFKSA-N 292.379 2.128 50 40 CEGB Cc1cc(O)cc(O)c1/C=N\NC(=O)Cc1cccs1 62772222 NHXDOOAGBRVJNK-NVNXTCNLSA-N 290.344 2.161 50 40 CEGB COc1ccc(OCC(=O)N/N=C\c2ccsc2)cc1 33412603 WOUODLNUNXNGOJ-NVNXTCNLSA-N 290.344 2.286 50 40 CEGB CC(C)N(Cc1cccc2c1OCCO2)C(=O)CCl 79421427 UOEKKIFJPVUTGC-UHFFFAOYSA-N 283.755 2.434 50 40 CEGB COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1O 524515 XZFAQHGLOHOIOA-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB COc1ccccc1NC(=O)NNC(=O)OC(C)(C)C 16499601 FPRHVQZKNHKENG-UHFFFAOYSA-N 281.312 2.256 50 40 CEGB Cc1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)o1 17087090 GFUFYXPADAMWBM-UHFFFAOYSA-N 262.309 2.095 50 40 CEGB O=S(=O)(O)SCCNCCCCc1ccccc1 31331488 LBAPNIABYOOWDN-UHFFFAOYSA-N 289.422 2.135 50 40 CEGB O=C(NNC(=O)C1CCCCC1)c1ccc(F)cc1 512370 GCYQHDNSJXKRHR-UHFFFAOYSA-N 264.300 2.167 50 40 CEGB COC(=O)CCc1onc(Br)c1CCl 1769368 NPHHESWDZKYMFP-UHFFFAOYSA-N 282.521 2.282 50 40 CEGB O=C(C[C@H]1C=CCC1)NNC(=O)c1cc(Cl)ccc1O 10625386 IUZARRXDTTYEFV-VIFPVBQESA-N 294.738 2.163 50 40 CEGB CN(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 12730799 HCUZKJXKQOPIRS-UHFFFAOYSA-N 293.330 2.049 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2cc3ccccc3[nH]2)c(C)o1 8143842 VTNDKLYKDGQIMC-UHFFFAOYSA-N 297.314 2.453 50 40 CEGB Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)O 33413948 HIDLBQLEFFEYGZ-WQLSENKSSA-N 267.288 2.481 50 40 CEGB N#CC(C#N)=C(N)/C(C#N)=C/c1c[nH]c2ccccc12 17835453 FCTUZDWMTMUUGR-BJMVGYQFSA-N 259.272 2.335 50 40 CEGB NCCSSC/C=C/CSSCCN 1617557 YCZBSGQPOZUFIL-OWOJBTEDSA-N 270.514 2.223 50 40 CEGB CCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 33471269 NAKRXJWYHMVDMZ-LCYFTJDESA-N 286.331 2.281 50 40 CEGB N#CC1=C(NC(=O)c2cc3ccccc3oc2=O)CCC1 830897 NFFXBKXRQDSFDW-UHFFFAOYSA-N 280.283 2.484 50 40 CEGB CCO[C@H]1CCC[C@@H](CC(=O)NNc2ccccc2)[C@@H]1O 4537291 IOPUZZHFLYIKJJ-NOLJZWGESA-N 292.379 2.086 50 40 CEGB CCCN1CCC(=NNC(=O)c2ccc(F)cc2)CC1 5468432 DKGVTKHNJPFEGU-UHFFFAOYSA-N 277.343 2.417 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1cccc(Cl)c1 223703200 LFLIHGKDLZVZKY-UHFFFAOYSA-N 263.728 2.351 50 40 CEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O 96809752 QCDDDWKCVWVKEV-MHWRWJLKSA-N 299.286 2.454 50 40 CEGB Cn1cc(Br)c(CBr)n1 205466035 RKMQNLNNWJQCJF-UHFFFAOYSA-N 253.925 2.078 50 40 CEGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1 6430837 PIUALLUEJAYTQH-MQQKCMAXSA-N 264.712 2.233 50 40 CEGB O=C(CCc1nccs1)NNc1ccc(F)cc1 55185903 IHJOUNDYMNYGSU-UHFFFAOYSA-N 265.313 2.358 50 40 CEGB N#C/C(=C/NC(N)=S)C(=O)c1ccc2ccccc2c1 104304474 UQRBADAUCRZJRV-LCYFTJDESA-N 281.340 2.263 50 40 CEGB CC(C)OC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 3329615 IUGLUMVZRZWLGH-VMPITWQZSA-N 250.210 2.046 50 40 CEGB Cc1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1C 33435314 GDJKXMVOPKLGJB-JTQLQIEISA-N 251.713 2.422 50 40 CEGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1 32189130 GZNQKNNAJUIECW-OQLLNIDSSA-N 284.344 2.468 50 40 CEGB CC(C)(C)OC(=O)N1CCC[C@@H](Br)C1=O 98213718 NQHKGYXQIOQWKN-SSDOTTSWSA-N 278.146 2.307 50 40 CEGB NC(=O)c1ccc(NC(=O)CCCl)cc1Cl 37014694 ARGCHKWPVYCIIW-UHFFFAOYSA-N 261.108 2.006 50 40 CEGB in-vitro Cc1[nH]nc2c1[C@@H](c1cccc(F)c1F)C(C#N)=C(N)O2 5640656 LYRMHEWAWWVOHN-NSHDSACASA-N 288.257 2.215 50 40 CEGB COc1cccc(/C=N\NC(=O)c2ccc(C)nc2)c1OC 12362797 FBDKJAJZPMVTBN-ZDLGFXPLSA-N 299.330 2.171 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1O 7892605 YDVFZEOBEOEBEY-RQZCQDPDSA-N 269.304 2.168 50 40 CEGB C[C@H](Cl)C(=O)Nc1cc2ccccc2oc1=O 6425583 CJRADKRDWYPQTF-ZETCQYMHSA-N 251.669 2.359 50 40 CEGB Cc1ccc(S(=O)(=O)N=[S@@](C)(=O)CCCl)cc1 104203519 HHTPDAXZVGXWFQ-INIZCTEOSA-N 295.813 2.020 50 40 CEGB N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)O 48638753 ZXELEQQRCLSTLZ-SDQBBNPISA-N 251.245 2.135 50 40 CEGB Cn1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cn1 40090152 OMDXUXUNXRTOTE-IZZDOVSWSA-N 276.303 2.010 50 40 CEGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)cc1O 9096102 AWHOKDBSDWPXQZ-NDKGQVHLSA-N 288.347 2.374 50 40 CEGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1 5730753 CLDYDDYKGJPOTD-UHFFFAOYSA-N 279.299 2.081 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(F)cc2)c(O)c1 409392544 QJAXZRDFYJKYRC-RQZCQDPDSA-N 288.278 2.304 50 40 CEGB C[C@H](CBr)CN1C(=O)c2ccccc2C1=O 34488678 NAWIPGKAGCJNBR-MRVPVSSYSA-N 282.137 2.314 50 40 CEGB CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCl)CC1 79408746 PIPGFNWOBUDTSR-UHFFFAOYSA-N 290.791 2.083 50 40 CEGB Cc1c(OCC(F)(F)F)cc[n+]([O-])c1CCl 77285764 RHMLJJHQPXWHRI-UHFFFAOYSA-N 255.623 2.308 50 40 CEGB in-vitro COC(=O)Cc1c(F)cccc1CBr 169796729 MSZDWDSDFXONES-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB OB(O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 169995131 REMKPLMTAFTLPK-UHFFFAOYSA-N 271.953 2.279 50 40 CEGB in-vitro COC(=O)C1(CCl)CCN(C(=O)OC(C)(C)C)CC1 118910140 XZPUEKMFNKEXIB-UHFFFAOYSA-N 291.775 2.416 50 40 CEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccncc1 222203 ZNIWMCGBIUREHB-VCHYOVAHSA-N 283.331 2.228 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2ccco2)cc1 520395 GUQGVNCMOYZRHM-XNTDXEJSSA-N 257.293 2.110 50 40 CEGB N#CC(C#N)=Cc1ccc(-c2ccc(C(N)=O)cc2)o1 801764 DRNWTCHIBBJMFG-UHFFFAOYSA-N 263.256 2.476 50 40 CEGB C[C@@]12[C@@H]3[C@H]4C(=O)[C@@H]1[C@H]1[C@@H]4C[C@@H]3[C@H]1[C@@H]2Br 102942957 DYJXAYHLFCEUAR-ZXHIKWDFSA-N 253.139 2.097 50 40 CEGB CCOC(=O)C(=O)NN=C(c1ccccc1)c1ccccc1 2252335 BNVNMXJGQMFOBI-UHFFFAOYSA-N 296.326 2.118 50 40 CEGB COc1ccc(N2C[C@@H](CCl)OC2=O)cc1OC 38478237 DZHSXMZHABDQHC-SECBINFHSA-N 271.700 2.268 50 40 CEGB Cc1cc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)[nH]n1 13112113 XMGDASBBJDINJW-RQZCQDPDSA-N 295.346 2.282 50 40 CEGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2)cc1 2726160 RNHGRSWCHXCLBZ-ZDUSSCGKSA-N 298.342 2.224 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)o1 4545168 XGOLNPSZLFTUTK-LICLKQGHSA-N 283.287 2.254 50 40 CEGB COc1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1 585548 PLVUBLSZTDDLGY-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB CCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C 269114 FVDNYVCGSZCVJN-OVCLIPMQSA-N 274.324 2.185 50 40 CEGB N#C/C(=C/c1ccccn1)C(=O)NCc1ccccc1 6644110 XPVUCAVYRYRFBZ-UVTDQMKNSA-N 263.300 2.305 50 40 CEGB O=C1O[C@H](CCl)CN1Cc1ccc([N+](=O)[O-])cc1 2171560 RKIAWPKYDCGFPY-SNVBAGLBSA-N 270.672 2.154 50 40 CEGB CCCCC(=O)N/N=C\c1c(O)cc(OC)cc1OC 104091743 PYHMRQFXLZWLDH-DHDCSXOGSA-N 280.324 2.050 50 40 CEGB N#C[C@@H](C(=O)N/N=C/c1ccccc1O)c1ccccc1 409207223 UAJJYXBLKBWTHV-XWAFYUISSA-N 279.299 2.150 50 40 CEGB CN(C)[C@@H]1CCCC[C@@H]1N(C(=O)CCl)C1CC1 79406761 RNUXERCARNWTTA-NEPJUHHUSA-N 258.793 2.089 50 40 CEGB COc1ccc(-n2c(C)cc(C(=O)NN)c2C)cc1Cl 223710321 FYRNEALEWUXBMR-UHFFFAOYSA-N 293.754 2.360 50 40 CEGB N#CC(C#N)=C(c1ccc(Cl)cc1)N1CCOCC1 34172013 RGOKONNMOQMGDG-UHFFFAOYSA-N 273.723 2.430 50 40 CEGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 16437837 UDONBSGQBOMMSZ-XYOKQWHBSA-N 271.276 2.124 50 40 CEGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1 60223 BVWZRKIGXVLBJV-MDWZMJQESA-N 275.289 2.420 50 40 CEGB Cn1cccc1/C=C(\C#N)C(=O)NCc1cccs1 59133083 WABHJPBIWOUGIM-DHZHZOJOSA-N 271.345 2.310 50 40 CEGB CC(C)=NNC(=O)C(=O)Nc1cc(Cl)ccc1C 59434251 DIDWCVYPVLMRKD-UHFFFAOYSA-N 267.716 2.099 50 40 CEGB O=C1OC(=O)[C@@H]2[C@@H]1N=NC2(c1ccccc1)c1ccccc1 104061665 DNKBRMSPMXPAHC-KBPBESRZSA-N 292.294 2.464 50 40 CEGB C#CCOc1c(Cl)cc(/C=N/NC(C)=O)cc1OCC 409009305 DAWYCLLADJGPGY-CXUHLZMHSA-N 294.738 2.221 50 40 CEGB CCc1ccc(C(=O)NNC(=O)c2cccs2)cc1 6786339 KJPOQJYYXCTHFA-UHFFFAOYSA-N 274.345 2.385 50 40 CEGB Cc1cc(NNC(=O)NC2CC2)nc2ccccc12 8165606 CMUQMAKKVJRPOR-UHFFFAOYSA-N 256.309 2.332 50 40 CEGB CCOC(=O)N/N=C/C=C/c1ccc(N(C)C)cc1 1713013 VXCHHNHDJABSCT-GCXOIEGYSA-N 261.325 2.498 50 40 CEGB N#CC1=C(N)N2CCSC2=C(C#N)[C@@H]1c1ccccc1 92942 LFHZDSRCOUPBMO-CYBMUJFWSA-N 280.356 2.262 50 40 CEGB CCN(CC)[P@](=O)(C#N)OCCBr 1737578 WPOBNJPCVZDYEX-ZDUSSCGKSA-N 269.079 2.414 50 40 CEGB Cc1ccc(C(=O)NNC(=S)NC2CCCC2)cc1 8417207 FDKJSQXJWAEONY-UHFFFAOYSA-N 277.393 2.047 50 40 CEGB O=C(NNC(=O)c1ccccc1)Nc1ccccc1F 10281426 WPNHRQRVVHWZRE-UHFFFAOYSA-N 273.267 2.292 50 40 CEGB C[C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 3887774 NGPIWHVRKMJIQR-ZCFIWIBFSA-N 253.645 2.032 50 40 CEGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(O)cc1 409377938 KSDIIOGIMQGGAO-CLFYSBASSA-N 299.242 2.439 50 40 CEGB CCC(=O)Nc1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1 45953894 FWQZQZUNVHNPIO-VIFPVBQESA-N 294.738 2.153 50 40 CEGB CCc1ccc2c(c1)N[C@@]1(C=C(C)OC(N)=C1C#N)O2 40546285 FKPLZJVTYODIOR-HNNXBMFYSA-N 269.304 2.377 50 40 CEGB O=C(Cl)CCCS(=O)(=O)c1ccc(F)cc1 96025092 TWPFOEKYUCBQQG-UHFFFAOYSA-N 264.705 2.145 50 40 CEGB C/C=C/C(=O)OC[C@@H](Br)C(F)(F)F 1083809844 RXAPZNQRAXOADA-WVSAJJKCSA-N 261.037 2.432 50 40 CEGB Cc1cc(NC(=O)[C@@H](Br)C(C)C)no1 12504972 NNQQBGKWQHWOSY-QMMMGPOBSA-N 261.119 2.341 50 40 CEGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccncc1 71136 CWSUWMTVRHUOEW-CQSZACIVSA-N 265.272 2.005 50 40 CEGB CC(=S)N/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 1637457 WVWANOLTASBUGK-XYOKQWHBSA-N 280.374 2.071 50 40 CEGB C=CCNC(SCc1ccccn1)=C(C#N)C#N 6361730 VWGBRKRJULNWPH-UHFFFAOYSA-N 256.334 2.349 50 40 CEGB CCOc1ccc([C@@H]2C(C#N)=C(N)S/C2=N\O)cc1 101646552 USANFKCQRAJGGL-KDUNNAQNSA-N 275.333 2.397 50 40 CEGB O=C(NNc1ccccc1)c1nc(Cl)c(Cl)[nH]1 144163944 KQTMAJNTBLUWBB-UHFFFAOYSA-N 271.107 2.473 50 40 CEGB O=C(Cc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 3155060 QFNFNBVQMCFOHY-GZTJUZNOSA-N 282.299 2.078 50 40 CEGB CC[C@H](C)Oc1ccc(/C=N/NC(C)=O)cc1OC 4545349 OQMFIZYPRPAZQE-CNOAHFENSA-N 264.325 2.343 50 40 CEGB N#C/C(=C1\CCCCCN1)c1nnc2n1CCCC2 100210880 WGACJBUXRZGIEH-QXMHVHEDSA-N 257.341 2.013 50 40 CEGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)Cc1cccs1 100059261 WZDODHGJCHUJMU-MHWRWJLKSA-N 295.408 2.088 50 40 CEGB Cc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccco1 12762575 DQWLHEURYQZHJC-RIYZIHGNSA-N 273.248 2.260 50 40 CEGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1c[nH]c2ccccc12 12729184 GJSKCCSYVKYBFW-LLVKDONJSA-N 283.331 2.285 50 40 CEGB CC(C)c1[nH]nc2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 6498873 YMOULBFPSBIUPB-NSHDSACASA-N 281.319 2.146 50 40 CEGB O=C(/C=C/c1cccs1)NNC(=O)c1ccc(F)cc1 7609340 SYRHFAJQDASCQA-BQYQJAHWSA-N 290.319 2.362 50 40 CEGB CCn1c(C)cc(/C=N/NC(=O)c2ccccn2)c1C 409097973 OMKMAWBOMHEQMJ-LICLKQGHSA-N 270.336 2.284 50 40 CEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)C(C)(C)C 216949346 LUIADHRTMBHKEA-UHFFFAOYSA-N 273.336 2.240 50 40 CEGB C[C@H](O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 47928 ARPDGDFBSZTXOD-FHXOWUIVSA-N 298.342 2.097 50 40 CEGB COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)c1 6180054 XZJPHQXSGSVHIT-XYOKQWHBSA-N 296.282 2.125 50 40 CEGB O=C(NN=C1CCCCC1)C(=O)Nc1ccccc1 59515715 MKIKQYKCFDRSMD-UHFFFAOYSA-N 259.309 2.061 50 40 CEGB CCCSc1nsc(NC(=O)CCl)n1 9579605 XXOPACIIARVIAE-UHFFFAOYSA-N 251.764 2.218 50 40 CEGB Cn1c(/C(C#N)=C\c2csnn2)nnc1-c1ccccc1 58250226 KNSCYDCLPHYWRD-XFFZJAGNSA-N 294.343 2.398 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1cc2c(cc1Cl)OCO2 59334980 XQCBXSYJLDYYOQ-OQFOIZHKSA-N 278.695 2.064 50 40 CEGB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CCl 60279984 KASRHTFUUVJNJI-JTQLQIEISA-N 269.776 2.371 50 40 CEGB in-vitro CCO/C=C(\C#N)C(=O)N[C@H]1C[C@H](OCC)C12CCCC2 98053060 VUJHOOJMJGIWKU-GHYUOPHCSA-N 292.379 2.284 50 40 CEGB CCOC(=O)c1ccc(SC#N)c([N+](=O)[O-])c1 19873062 FCCVBBIYRBGNKW-UHFFFAOYSA-N 252.251 2.345 50 40 CEGB CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334222 MMNRDDXGXLNRHX-WQLSENKSSA-N 274.320 2.089 50 40 CEGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O 12362206 QCDDDWKCVWVKEV-YBEGLDIGSA-N 299.286 2.454 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)C1[C@H]2CCCC[C@@H]12 18024945 SFYGJQYIUTWGDL-MZBDJJRSSA-N 286.375 2.203 50 40 CEGB O=[N+]([O-])c1ccc2c(c1)CO[C@H](CBr)OC2 1421262 DHMXONYICFOWSL-SNVBAGLBSA-N 288.097 2.363 50 40 CEGB COc1ccc2cc(C(=O)CBr)c(=O)oc2c1 67172515 GPRQJWPGEGOQMA-UHFFFAOYSA-N 297.104 2.379 50 40 CEGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(N)=S 408544165 SMMHMLYWRMRNHV-FMIVXFBMSA-N 257.362 2.480 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 252796 XKXIXCGEOXZFLL-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB C/C(=N/NC(=O)c1ccc(N)cc1)c1ccccc1O 100229795 RMHRWYVPRDQOST-YVLHZVERSA-N 269.304 2.128 50 40 CEGB CCCCOc1ccc(NC(=O)NNC(C)=O)c(C)c1 96013195 MOQRLAXOALYVGU-UHFFFAOYSA-N 279.340 2.347 50 40 CEGB COc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1 4117875 GDLDKXURZZBRSD-UHFFFAOYSA-N 287.275 2.360 50 40 CEGB CC[C@@H](C)/C(C)=N/NC(=O)[C@H]1COc2ccccc2O1 5859536 CFYRRZXQPMFGEH-ZDKPZZDOSA-N 276.336 2.365 50 40 CEGB N#Cc1ccccc1COc1ccc(/C=N/NC(N)=O)cc1 408742168 PXLKRFBLOGKDAU-VXLYETTFSA-N 294.314 2.139 50 40 CEGB C=CCN1C=CC=C/C1=C\C=C(\C#N)C(=O)OCC 17108953 HTGAGTCLSRWHRZ-NBPWYHHBSA-N 256.305 2.455 50 40 CEGB COc1cc([C@@H]2CC(=O)NC(SC)=C2C#N)ccc1O 181188 ZZYXTENXUDXVJF-VIFPVBQESA-N 290.344 2.102 50 40 CEGB Cc1cccc(C2C(C#N)=C(N)SC(N)=C2C#N)c1 276323 XVGRIBZALPNSKL-UHFFFAOYSA-N 268.345 2.213 50 40 CEGB COc1c(C=O)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 14988183 VQAOJDKURVRARQ-SSDOTTSWSA-N 286.711 2.415 50 40 CEGB O=C1CC[C@H](C(=O)NN(c2ccccc2)c2ccccc2)N1 33429790 CJRJHIPASHITOM-OAHLLOKOSA-N 295.342 2.135 50 40 CEGB Cc1ccc(C2=CS[C@@H](NC(=O)CCl)N2)cc1 226233666 XFODRQRBCGQGJI-GFCCVEGCSA-N 268.769 2.268 50 40 CEGB COc1cc2ccc(/C(C)=N\NC=O)cc2cc1OC 16951646 NFYDNGPQKOKURJ-YVLHZVERSA-N 272.304 2.327 50 40 CEGB CCOC(=O)c1c(C)csc1NC(=O)CCl 159904 FNHRABDDUBUKTK-UHFFFAOYSA-N 261.730 2.411 50 40 CEGB COc1ccc(-c2ccc(C(=O)NN)o2)cc1Cl 226300590 HOSKBNJTMQEDLE-UHFFFAOYSA-N 266.684 2.212 50 40 CEGB COc1ccc(OCC(=O)NN=C2CCCC2)cc1 499042 CNFQQPQPQQBPPF-UHFFFAOYSA-N 262.309 2.120 50 40 CEGB CCCN(CC(=O)Nc1ccccc1C)C(=O)CCl 3298510 IOXPLAHNJGONKH-UHFFFAOYSA-N 282.771 2.411 50 40 CEGB CC(C)(C)C1CCC(=NNC(=O)C(=O)N2CCCC2)CC1 5059010 DIVBLNAGYPLYCW-UHFFFAOYSA-N 293.411 2.317 50 40 CEGB O=C(Cc1ccccc1Cl)NNC(=O)c1ccccc1 6427107 MVTTUVFKBUHPHI-UHFFFAOYSA-N 288.734 2.344 50 40 CEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)n1 408979185 PQBSNXPFUWVELO-RIYZIHGNSA-N 295.298 2.446 50 40 CEGB CCC[C@@H](O)c1ncc(C(=O)OCC)c(CCl)n1 72220964 OBOFJLHJYBCMFO-SNVBAGLBSA-N 272.732 2.226 50 40 CEGB CCOC(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-] 31687277 GPOGYTFSQNIUFR-SDQBBNPISA-N 271.660 2.328 50 40 CEGB O=C1C[C@H](c2ccc(Br)cc2)C(=O)O1 100648350 ZBHDUZUFAITKGD-MRVPVSSYSA-N 255.067 2.006 50 40 CEGB O=C(NNC(=O)c1ccc2ccccc2c1)c1ccncc1 569088 CEBHXFRPEAPNLJ-UHFFFAOYSA-N 291.310 2.310 50 40 CEGB C/C(N)=C(\C#N)C(=O)CSc1nc2cc(C)ccc2[nH]1 104532093 RSXZGVAENGUFIJ-KTKRTIGZSA-N 286.360 2.289 50 40 CEGB O=C(NNC(=O)[C@@H]1CC12CCC2)[C@@H]1C[C@H]1c1ccccc1 4595421 VYNAFOKLOJTNBO-MJBXVCDLSA-N 284.359 2.128 50 40 CEGB NC(=O)N/N=C/c1ccc(OCCOc2ccccc2)cc1 4196540 DLLAYJVSFHVKHE-LDADJPATSA-N 299.330 2.147 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1 409073343 MLDDDQPZVGQEPO-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 38139478 BLUAFEHZUWYNDE-WPIHZQJYSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro COC(=O)c1cccc(NC(=O)[C@@H](C)Br)c1 41181205 XOZSPDSUKPCRIF-SSDOTTSWSA-N 286.125 2.195 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 45958480 CEPAQZLTMBUVCQ-ZETCQYMHSA-N 280.736 2.415 50 40 CEGB COc1ccc2ccccc2c1/C=C(\C#N)C(N)=O 436045 SXZSTGVBWDKKJO-DHZHZOJOSA-N 252.273 2.241 50 40 CEGB ClCCOC[C@@H]1CO[C@H](C(Cl)(Cl)Cl)O1 5725723 BZHPXLBJYOPNPE-RITPCOANSA-N 283.966 2.354 50 40 CEGB CCOc1cc(/C=N/NC(=O)c2ccc(N)cc2)ccc1O 3574249 NGZQUERSDNAGDQ-VCHYOVAHSA-N 299.330 2.137 50 40 CEGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(O)c1 9096138 WJCRLEXLLLXZDX-HEQLAMCVSA-N 288.347 2.374 50 40 CEGB Cn1ccnc1P(=O)(c1ccccc1)c1ccccc1 102141433 LDZUIAOQTHVSMC-UHFFFAOYSA-N 282.283 2.060 50 40 CEGB COc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)c(O)c1 409391585 JXTUUKVKGBOWKT-VCHYOVAHSA-N 295.298 2.036 50 40 CEGB COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 409387836 ROYVJBLUANSUFE-WOJGMQOQSA-N 289.379 2.068 50 40 CEGB COc1ccc(NC(=O)CCBr)cc1 1638407 PQJSGZILSMAKJP-UHFFFAOYSA-N 258.115 2.419 50 40 CEGB Cn1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)n1 132196 MBLSMEFLBVXYHE-VIZOYTHASA-N 297.145 2.491 50 40 CEGB O=S1(=O)C[C@H](Sc2ccccc2)[C@H](Cl)C1 5665888 OUQPIAKLCXWCJT-ZJUUUORDSA-N 262.783 2.183 50 40 CEGB in-vitro O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccs1 320249 BTGFLAKULIUAJU-UHFFFAOYSA-N 294.763 2.405 50 40 CEGB CCc1sc(C(=O)NNC(=O)C(C)(C)C)cc1C 6083716 HIMMDPHDNFNJEZ-UHFFFAOYSA-N 268.382 2.426 50 40 CEGB Cc1c(C(=O)NNC(=O)C2CCC2)oc2ccccc12 6929228 QMNWHWUICAYZPC-UHFFFAOYSA-N 272.304 2.302 50 40 CEGB O=C(NNc1cccc(C(F)(F)F)c1)C1CCNCC1 228924398 QACYJVHZAPHOOR-UHFFFAOYSA-N 287.285 2.148 50 40 CEGB N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(N)=O 555732 BPSQFGPZMCCZID-XVNBXDOJSA-N 290.120 2.323 50 40 CEGB C[C@@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 5357024 MVMJCTRTLGXJRA-ZCFIWIBFSA-N 273.086 2.317 50 40 CEGB CCCCCCOCCOCCOC[C@@H](O)CCl 5418144 VSWIVOGEYZLTFI-ZDUSSCGKSA-N 282.808 2.216 50 40 CEGB Cc1cc(C)nc(NNC(=O)c2sccc2C)n1 22234249 BFPVCNADZPIDBO-UHFFFAOYSA-N 262.338 2.220 50 40 CEGB C#CCOC[C@H](CCl)OC(=O)Nc1ccccc1 1635792 IHYVSDJUGJITNK-LBPRGKRZSA-N 267.712 2.492 50 40 CEGB Cc1ccc(-n2cccc2C(=O)NN)c(Br)c1 223729495 PNLPEFGMKXJBAZ-UHFFFAOYSA-N 294.152 2.152 50 40 CEGB C1=C(CC[Si]23OCCN(CCO2)CCO3)CCCC1 195752826 VUCWMMFGHFCPAG-UHFFFAOYSA-N 283.444 2.195 50 40 CEGB N#Cc1ccc(N/N=C2/C(=O)OC(=O)c3ccccc32)cc1 95691872 JCEVNOGWFDZDAP-XMHGGMMESA-N 291.266 2.071 50 40 CEGB O=C(N/N=C/c1cccs1)c1ccccc1[N+](=O)[O-] 66648 HBRTYZJXJGLACA-MDWZMJQESA-N 275.289 2.420 50 40 CEGB COc1ccc(/C=N/NC(=O)c2cccs2)c(O)c1 4150882 VVYOLKXGRLOXIW-RIYZIHGNSA-N 276.317 2.226 50 40 CEGB O=C(N/N=C/c1ccccn1)c1c[nH]c2ccccc12 438127 QOKXNHAWFNPBCE-GIJQJNRQSA-N 264.288 2.327 50 40 CEGB COC(=O)NNC(=O)c1cc(-c2ccccc2)cs1 12616881 ALQDKBPLTODPGV-UHFFFAOYSA-N 276.317 2.416 50 40 CEGB N#CC1=C2CCCN2c2cc(Cl)ccc2S1(=O)=O 67172853 FWPCMAUUZNIUBQ-UHFFFAOYSA-N 280.736 2.463 50 40 CEGB O=C(Cc1ccc(O)cc1)N/N=C1\C[C@@H]2C=CC[C@@H]12 16989584 JMFITXDDKGCSNB-ZGOXPFGPSA-N 256.305 2.003 50 40 CEGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccnc1 408784064 SDOWNQWKADCERJ-DHDCSXOGSA-N 294.358 2.484 50 40 CEGB Cc1cc(C(=O)NN)c(C)n1-c1ccccc1Cl 223703073 QTXCYVNISSQANN-UHFFFAOYSA-N 263.728 2.351 50 40 CEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)o2)c1 581223 LWHRDDZBMTYFOP-CXUHLZMHSA-N 288.303 2.369 50 40 CEGB ClCCOC(OCCCl)OCCCl 1873470 RKHRVKJTCSHZCR-UHFFFAOYSA-N 251.537 2.036 50 40 CEGB CO[C@H]1C[C@@H](CBr)N(C(=O)OC(C)(C)C)C1 307469834 UNPUQNHSRNDJSV-IUCAKERBSA-N 294.189 2.406 50 40 CEGB COc1ccccc1C(=O)N/N=C/c1ccc(C(=O)O)cc1 3097454 JQLMCFSYXJAUBU-LICLKQGHSA-N 298.298 2.157 50 40 CEGB C/C(CC(=O)NCC(C)C)=N\NC(=O)c1ccccc1F 4904426 SKCLSXYZPOSVMD-WOJGMQOQSA-N 293.342 2.094 50 40 CEGB CC/C(=N\NC(=O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 43970639 VUBPZUCVOUPQIV-UESPBHMZSA-N 291.307 2.004 50 40 CEGB COc1cc(F)ccc1NS(=O)(=O)CCCCl 49572119 BBWKTTMMHFOAAN-UHFFFAOYSA-N 281.736 2.205 50 40 CEGB CC/C(=N\NC(=O)c1ccccn1)c1ccccc1O 15938781 GGWSGLKGJVBWGK-SFQUDFHCSA-N 269.304 2.331 50 40 CEGB CC(=O)NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17836450 GTGIIPTWPPLVHM-UHFFFAOYSA-N 278.293 2.181 50 40 CEGB COc1ccc(OC)c(/C=N\NC(=O)Cc2ccccc2)c1 33322020 DCTGRFDLYPIRJF-PDGQHHTCSA-N 298.342 2.397 50 40 CEGB O=C(CBr)c1cccc([N+](=O)[O-])c1F 169800512 LDBFARRGBDBBQL-UHFFFAOYSA-N 262.034 2.312 50 40 CEGB CCC/C(=N/NC(=O)[C@@H]1CCCO1)c1ccccc1 17024185 YJHQBFSUQXBLHC-DSDLTIFZSA-N 260.337 2.486 50 40 CEGB CC(C)(C(=O)NNC(=O)c1ccco1)c1ccccc1 32903679 DKDISXIGOKTMEI-UHFFFAOYSA-N 272.304 2.018 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 57786534 QZEASAVEJFYDGB-WOJGMQOQSA-N 279.299 2.331 50 40 CEGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1ccccc1C 4690422 CTDAEPLNDNNGPH-LDADJPATSA-N 289.379 2.406 50 40 CEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccccc1 216949634 NKHSFOAWVQYOBT-UHFFFAOYSA-N 293.326 2.242 50 40 CEGB COC(=O)Cc1cc(F)ccc1CBr 169796737 VNILJDDFQZCWKA-UHFFFAOYSA-N 261.090 2.436 50 40 CEGB CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 566256 BNEKQAKVWMCNIU-RIYZIHGNSA-N 273.248 2.325 50 40 CEGB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CBr 2144230 CEXZDKYQQDHAQT-MRVPVSSYSA-N 297.152 2.145 50 40 CEGB Cc1ccc(/C=N/NC(=O)c2cccnc2)c(C)c1 3335027 PMMBAYNPOWISJF-LICLKQGHSA-N 253.305 2.462 50 40 CEGB CC(C)(C)OC(=O)NNC(=O)NCCc1ccc(F)cc1 12924372 LCIHIFNZMBVABR-UHFFFAOYSA-N 297.330 2.107 50 40 CEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C[C@H]2C=CC[C@@H]12 4155366 AXUNWCLLAFEFJM-LCTCEGSSSA-N 285.303 2.206 50 40 CEGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)o1 6278723 WYLZBHKKGRHUNF-LUYJPIOASA-N 272.304 2.162 50 40 CEGB COc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1 5381573 BDMDPJPKPTUILY-LDADJPATSA-N 283.331 2.173 50 40 CEGB C/C(=N\NC(=O)c1ccoc1C)c1cc(O)ccc1O 4551408 CJYLSTNDIHSJQG-OVCLIPMQSA-N 274.276 2.153 50 40 CEGB CN(C)C1CCC(N(C(=O)CCl)C2CC2)CC1 79406758 VEKGSHPKANHZEL-UHFFFAOYSA-N 258.793 2.089 50 40 CEGB COc1cccc(C[C@H](Br)C(=O)O)c1 76317589 YIZDLHJLCXVJGU-VIFPVBQESA-N 259.099 2.086 50 40 CEGB CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(C)cc21 260624989 XJKYQYUXKDMGRS-GFCCVEGCSA-N 273.380 2.375 50 40 CEGB NC(=O)N/N=C(\CCc1ccccc1)c1ccc(O)cc1O 55134842 ALCNZFMETMAZCT-NBVRZTHBSA-N 299.330 2.103 50 40 CEGB CCOc1ccccc1C[C@@H](Br)C(=O)O 107843355 AIQMLWRSYZXCJK-SECBINFHSA-N 273.126 2.476 50 40 CEGB CC(C)(C)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 13635603 YRTJSZYWYAGVJX-NEPJUHHUSA-N 291.420 2.084 50 40 CEGB COc1cc(CCNC(=O)CCl)ccc1OC(F)F 4219131 NTRZLLZMJSGTHI-UHFFFAOYSA-N 293.697 2.194 50 40 CEGB C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 33303230 VZHLPPKLJUIYTC-UWCCDQBKSA-N 296.326 2.367 50 40 CEGB COC(=O)N/N=C(C)\C=C/c1ccc2c(c1)OCO2 85881222 BZMGBWKEKBRAAP-HNOCESSGSA-N 262.265 2.160 50 40 CEGB CCc1noc(-c2ccc3nnc(CCl)n3c2)n1 96516522 BDEOBEJIAFUOKH-UHFFFAOYSA-N 263.688 2.081 50 40 CEGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 6179050 XKKOTRBCNDGDRA-CSKARUKUSA-N 296.282 2.298 50 40 CEGB CNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1 15224838 WDFWURVIJKNJCU-KAMYIIQDSA-N 269.348 2.330 50 40 CEGB CCOc1ccc(Br)cc1/C=C(\C#N)C(N)=O 206482937 MVJDRVZUXAOZGW-WEVVVXLNSA-N 295.136 2.240 50 40 CEGB C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccco1 181355 JWJBQBREJXHRCM-OQLLNIDSSA-N 284.275 2.417 50 40 CEGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(C)cc1 6664586 HFEMGKVIFMQBLD-GFCCVEGCSA-N 294.738 2.015 50 40 CEGB CCOc1cccc(/C=C(\C#N)C(N)=O)c1OC(F)F 7154733 ZYRZKPSIQXDPJC-RMKNXTFCSA-N 282.246 2.079 50 40 CEGB Nc1ccccc1C1=NO[C@H](CBr)C1 217844513 BSGLRAPSRWIFPM-ZETCQYMHSA-N 255.115 2.157 50 40 CEGB CCOC(=O)/C(C#N)=C/P(=O)(OCC)OCC 1737452 XTMHXUHMNUOIEF-CMDGGOBGSA-N 261.214 2.223 50 40 CEGB CC(=O)O[C@@H](CBr)CCCBr 2584459 JGMIHIAAGUSENI-SSDOTTSWSA-N 287.979 2.488 50 40 CEGB CCCN1C(=O)/C(=N/NC(=O)C2=CC=CC2)c2ccccc21 6593843 PGNJGNTZVIVXHI-OBGWFSINSA-N 295.342 2.150 50 40 CEGB O=C(NNc1ncnc2ccccc12)c1cccs1 58134058 IZDQVORANVHTTO-UHFFFAOYSA-N 270.317 2.448 50 40 CEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1O 59333735 XRZZNEVAYDLDAR-LCYFTJDESA-N 256.305 2.116 50 40 CEGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)O 3284922 HIDLBQLEFFEYGZ-XYOKQWHBSA-N 267.288 2.481 50 40 CEGB O=C(O)[C@@H](Br)CCCBr 100055871 JDAVNLLRFXIKKD-BYPYZUCNSA-N 259.925 2.010 50 40 CEGB COc1ccc(NCC(=O)NN=C2CCCC2)cc1 5119791 UIYAQIBQJVUMKV-UHFFFAOYSA-N 261.325 2.153 50 40 CEGB O=C(N/N=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 4705114 JCFRMUJXTJCIMU-CXUHLZMHSA-N 287.250 2.498 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 37390769 CNOSSTMJRDDNTB-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB CCC(=O)NNc1nc2c(F)cc(F)cc2s1 4121496 ZMGIIGDMINVDNZ-UHFFFAOYSA-N 257.265 2.428 50 40 CEGB CN(C)C(=O)/C(C#N)=C\c1ccc(Br)o1 111903417 BTKUSXIUKUVHPY-ALCCZGGFSA-N 269.098 2.037 50 40 CEGB O=C(NNC(=O)c1ccccc1F)c1ccc(F)cc1 3607016 IHWHBJQTGZSQRN-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB CCN1CCC(=NNC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 4155298 RMYOCFMZUYVMAS-HOTGVXAUSA-N 285.391 2.378 50 40 CEGB C/C(Cc1ccccc1)=N\NC(=O)c1cccnc1 4610597 IGWIFCGYEZYMIL-SFQUDFHCSA-N 253.305 2.430 50 40 CEGB Cc1cc(C)cc(OCC(=O)N/N=C\c2ccccn2)c1 4724240 DYULVNZNKMOIEA-ZDLGFXPLSA-N 283.331 2.228 50 40 CEGB CCOCCOCc1cccc(CNC(=O)CCl)c1 68583593 OXXQLDQWIDRPGJ-UHFFFAOYSA-N 285.771 2.095 50 40 CEGB in-vitro Cc1ccc(CC(=O)N/N=C/c2ccc(O)cc2O)cc1 512122 RHIPVTAHGSLZSX-LICLKQGHSA-N 284.315 2.099 50 40 CEGB O=C(/C=C/c1ccccc1)NNC(=O)c1cccs1 320567 NTDGYSNISYOMSM-CMDGGOBGSA-N 272.329 2.223 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2)c(OC)c1 17023794 OLBWPRNKTUWNLU-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB Cc1ccsc1/C=N/NC(=O)c1ccc(N)cc1 3261994 GSKAYFLDBOAUDM-OVCLIPMQSA-N 259.334 2.403 50 40 CEGB NNC(=O)[C@H]1CCCN(Cc2cccc3ccccc23)C1 23115329 JXOWBKOSZQAODR-HNNXBMFYSA-N 283.375 2.042 50 40 CEGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC 408725665 IIKMWOQDTCXZHP-UXBLZVDNSA-N 276.248 2.073 50 40 CEGB Cc1cccc(C)c1Nc1nc(CC(=O)NN)cs1 223449586 PLAGRXLCWDJQLH-UHFFFAOYSA-N 276.365 2.036 50 40 CEGB O=C(Cl)c1cc(I)ccc1O 198933651 LFEMZINLHSGLHT-UHFFFAOYSA-N 282.464 2.376 50 40 CEGB Cn1cccc1/C=N/NC(=O)Cc1ccc(Cl)cc1 43280 OOMNUSQMYOAZGD-MHWRWJLKSA-N 275.739 2.371 50 40 CEGB Cc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 257119 RBWLOLQPGLSXJV-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB CC(=O)N/N=C(\C)c1ccc(Br)cc1 5282425 WRUWZJNYKVGTJS-KPKJPENVSA-N 255.115 2.309 50 40 CEGB O=S(=O)(c1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@@H]([C@@H]2Cl)[C@H]13 103684667 PTGDUGPVEWYOLE-ZRFFIENRSA-N 268.765 2.332 50 40 CEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 98048 HIPXTJYDLDJZHZ-ZDUSSCGKSA-N 288.278 2.080 50 40 CEGB C/C=C/C(=O)OC[C@H](Br)CBr 1676094 JRCKVRQGCZBOAD-YRFDSLTASA-N 285.963 2.264 50 40 CEGB Cc1c(C(=O)N/N=C/c2cccnc2)cccc1[N+](=O)[O-] 59447428 RXACAPHMJAXTPX-CXUHLZMHSA-N 284.275 2.062 50 40 CEGB CC(C)(C)CC(=O)NNC(=O)c1cc(Cl)ccc1O 10623298 KNXBCIJCMVENBM-UHFFFAOYSA-N 284.743 2.243 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccccc1N1CCCC1=O 38338674 XNVLKTXPCMGMJJ-VIFPVBQESA-N 266.728 2.379 50 40 CEGB in-vitro O=C(Cc1ccc(O)cc1)N/N=C1\C[C@H]2C=CC[C@H]12 16989581 JMFITXDDKGCSNB-QHOPYSQSSA-N 256.305 2.003 50 40 CEGB Cc1nc(-c2cccc(C(F)(F)F)c2)ncc1C(=O)NN 226100630 RUBVQHQTRHMAPG-UHFFFAOYSA-N 296.252 2.074 50 40 CEGB CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2cc(F)ccc21 260722629 QXAJWCOLNSMNIC-SNVBAGLBSA-N 277.343 2.206 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 251792 WBDVKNUQCLFPLP-XDHOZWIPSA-N 296.374 2.315 50 40 CEGB CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C 8214611 QTFKTBRIGWJQQL-UHFFFAOYSA-N 275.289 2.029 50 40 CEGB in-man C[C@H](Br)C(=O)n1c(=O)oc2ccccc21 499966 NZCLXHVUAXJXIR-LURJTMIESA-N 270.082 2.018 50 40 CEGB O=C(CCBr)NC(=O)Oc1ccccc1 3162435 ZHZQNXNRTXCXGZ-UHFFFAOYSA-N 272.098 2.087 50 40 CEGB Cc1ccc(S(=O)(=O)CC#CCBr)cc1 2321044 DWMSQNLWCILOPU-UHFFFAOYSA-N 287.178 2.167 50 40 CEGB N#CC1=C2CCC[C@H]2[C@@]2(NC1=S)C(=O)Nc1ccccc12 4293379 PDFHNRUAYLJQHF-BZNIZROVSA-N 295.367 2.385 50 40 CEGB O=C1c2ccccc2N(C(=O)CCl)[C@@H]2CCCCN12 4615108 PIHHPNBUQFHDSK-GFCCVEGCSA-N 278.739 2.224 50 40 CEGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccco2)cc1 6997706 KPZUTQHQTWPGDO-YBEGLDIGSA-N 285.303 2.392 50 40 CEGB Cc1csc(/C(C#N)=C\c2ccc(OCC(N)=O)cc2)n1 96924837 OFPDIJBDVYVPBU-SDQBBNPISA-N 299.355 2.380 50 40 CEGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(O)cc1O 100245167 HLRDJHZSPDABJP-RQZCQDPDSA-N 288.278 2.391 50 40 CEGB CC(C)(C)OC(=O)N1CCOC[C@H]1CBr 159477503 TWFMJHHRSVBFSE-MRVPVSSYSA-N 280.162 2.017 50 40 CEGB Cc1[nH]nc2c1[C@H](c1cccc(F)c1F)C(C#N)=C(N)O2 5640681 LYRMHEWAWWVOHN-LLVKDONJSA-N 288.257 2.215 50 40 CEGB COCC(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C 5949873 VGKNLIAOJSGENB-QWGLIZDWSA-N 287.363 2.046 50 40 CEGB Cc1ccsc1/C=N\NC(=O)Cc1cccn1C 12463210 UNHWOROYQCSSHY-ZROIWOOFSA-N 261.350 2.088 50 40 CEGB O=C(NCCCl)N[C@H]1CCc2ccccc2C1 6576115 AATZWARJFHAMMS-LBPRGKRZSA-N 252.745 2.082 50 40 CEGB O=C(CCN1CCCCC1)N/N=C/c1c[nH]c2ccccc12 4763604 RJTAUUOGAJTGRB-CPNJWEJPSA-N 298.390 2.494 50 40 CEGB Cc1cc(C)c2c(=O)c(/C=N/C(C#N)=C(/N)C#N)coc2c1 96247834 PVXMWMAARJXAHS-IHBHQRFHSA-N 292.298 2.046 50 40 CEGB Cc1cccc(C)c1OCC(=O)NNC(=O)C1CCCC1 7842006 QVNGXGGRUHLOKR-UHFFFAOYSA-N 290.363 2.020 50 40 CEGB O=C(O)Cc1ccc(NC(=O)OCCCl)cc1 98210216 QGXQYVWTAFXXSY-UHFFFAOYSA-N 257.673 2.101 50 40 CEGB COCC(CBr)(CBr)COC 97952428 JPNFQRZLCFPCIR-UHFFFAOYSA-N 289.995 2.055 50 40 CEGB Cn1cccc1/C=C(/C#N)C(=O)NC1CCCCC1 209084853 HTZIWMWPSDUKBF-BENRWUELSA-N 257.337 2.381 50 40 CEGB CCOC(=O)c1ccc(C)c(NC(=O)CCl)c1 43846 YIFNAROIIJGXBF-UHFFFAOYSA-N 255.701 2.349 50 40 CEGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccncc1 31629150 AMDRLZATAWMLKJ-SXGWCWSVSA-N 259.696 2.499 50 40 CEGB O=C(CCl)NC[C@@H]1CCCN(Cc2ccccc2)C1 79393666 AXDRKSHBCZSESP-AWEZNQCLSA-N 280.799 2.254 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1O 1477257 GFSXJOUEWGPLSO-IZZDOVSWSA-N 261.277 2.259 50 40 CEGB COc1cc(NC(=O)C(Cl)Cl)cc(OC)c1OC 6380823 MCWPZPVZQIATOK-UHFFFAOYSA-N 294.134 2.455 50 40 CEGB C/C(=N\NC(=O)COc1ccccc1C)c1ccncc1 59922099 CFJYURFEHNXERU-QGOAFFKASA-N 283.331 2.309 50 40 CEGB COC(=O)c1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1 7061279 CNNFNMRGNMJQKW-GXDHUFHOSA-N 298.342 2.439 50 40 CEGB O=C1[C@@H]2CC=C[C@@H](Cl)[C@H]2C(=O)N1c1ccc(O)cc1 408668071 CJMHFTPYKJSMNK-UTUOFQBUSA-N 277.707 2.065 50 40 CEGB CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CCl 79414795 ZQVBWGCCXWBVHV-AWEZNQCLSA-N 280.799 2.348 50 40 CEGB N#C/C(=C/c1ccncc1)C(=O)NC1CCCCC1 40889399 YDTQJQBBHBDXKV-RAXLEYEMSA-N 255.321 2.437 50 40 CEGB C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@]2(C)CC(=O)O 252504689 CQENDPLRWOGOPD-HBJDUEGVSA-N 275.142 2.230 50 40 CEGB COc1cc(OC)cc(C(=O)CBr)c1 2576091 JUJBYPJUERJZQP-UHFFFAOYSA-N 259.099 2.281 50 40 CEGB CCCN1C(=O)/C(=N/NC(=O)c2ccco2)c2ccccc21 100180671 SWIRRWVVFIESHE-SAPNQHFASA-N 297.314 2.170 50 40 CEGB O=C(N/N=C/c1ccccc1)OCN1CCCCC1 23382842 CLGJTNKVZZFMRS-RVDMUPIBSA-N 261.325 2.190 50 40 CEGB NNC(=O)c1cccc(OCc2ccc(F)cc2)c1 4109987 NAFWTOWRWVPZET-UHFFFAOYSA-N 260.268 2.008 50 40 CEGB CCCCCC1CCC(C(=O)NNC(=S)NC)CC1 6782961 WDQSKMYQZBYWFR-UHFFFAOYSA-N 285.457 2.498 50 40 CEGB O=C(CCCl)Nc1ccc(N2CCCC2=O)cc1 8269640 XZUBHHHZKAVOTM-UHFFFAOYSA-N 266.728 2.381 50 40 CEGB Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 136317 QXFJPGUCLKUODW-RQZCQDPDSA-N 257.268 2.172 50 40 CEGB COc1cccc(/C(C)=N/NC(=O)c2cccnc2)c1 5163194 RZKBMKBQRJYHIY-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB N#CC(C#N)=C1CCCc2nc(N3CCOCC3)sc21 16138213 FZFYJSIZNBYGOW-UHFFFAOYSA-N 286.360 2.117 50 40 CEGB COC(=O)/C(C#N)=C\n1c(=S)[nH]c2ccccc21 1637322 PVXJDFNXTIWHBW-FPLPWBNLSA-N 259.290 2.236 50 40 CEGB Cc1cccc(/C=N/NC(=O)c2ccccc2C(=O)O)c1 587495 ZBLSRGNNASNIAD-LICLKQGHSA-N 282.299 2.457 50 40 CEGB N#CC1=C(C#N)CC[C@@]2(C#N)[C@@H]3C=C[C@H](O3)[C@@]2(C#N)CC1 104042204 LRINLJPBDITLDH-YHUYYLMFSA-N 276.299 2.261 50 40 CEGB C/C=C\C(=O)OC[C@@H](Br)CBr 100242242 JRCKVRQGCZBOAD-GFNSNHMOSA-N 285.963 2.264 50 40 CEGB Nc1cccc(C2=NO[C@H](CBr)C2)c1 217844676 VKDRBHFOQPCHKR-VIFPVBQESA-N 255.115 2.157 50 40 CEGB CCC(=O)Nc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 45953777 QLAKLIJFIMGQEV-VIFPVBQESA-N 294.738 2.153 50 40 CEGB CC1=C(C#N)c2nc3ccccc3n2C(=O)[C@]1(C)CCO 5501426 NGYLOTNRXJUIJP-MRXNPFEDSA-N 281.315 2.376 50 40 CEGB NNC(=O)CC[C@@]1(c2ccccc2)CCCC/C1=N/O 17156053 XTPCRRRGXRLDAN-QLENYVDCSA-N 275.352 2.099 50 40 CEGB CCOC(=O)[C@]1(C)CC[C@@H](/C(C)=N/NC(N)=O)C1(C)C 4266648 JQNMXABYOGASNX-JTAOIJCTSA-N 283.372 2.036 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 3196841 BWKUFFFSLKXQKZ-VCHYOVAHSA-N 267.263 2.461 50 40 CEGB CCCN(CC)c1ccc(C(=O)NNc2ncccn2)cc1 58143267 IXPZZCDPSGQUPU-UHFFFAOYSA-N 299.378 2.470 50 40 CEGB Cn1cccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408676067 DLSVNSIMEFLJDG-QGOAFFKASA-N 296.374 2.389 50 40 CEGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OC(C)C 408873217 OSNXOXLESWQFDQ-KPKJPENVSA-N 274.320 2.265 50 40 CEGB O=C1ON=C(CCl)/C1=C\c1cccnc1Cl 34926753 IWYTXGHOCYLJGW-QPJJXVBHSA-N 257.076 2.270 50 40 CEGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)NC(N)=O 409220923 HUPIYHKNOJVORT-YFHOEESVSA-N 299.261 2.188 50 40 CEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 36188445 ZQFXLKIHLPWDOQ-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB Nc1cccc(C2=NO[C@@H](CBr)C2)c1 217844596 VKDRBHFOQPCHKR-SECBINFHSA-N 255.115 2.157 50 40 CEGB CCNc1c(NC(=O)CCl)c(=O)oc2ccccc12 16681916 ORNNQNFGIFKJQC-UHFFFAOYSA-N 280.711 2.402 50 40 CEGB C/C(=N/NC(=O)COc1ccccc1)c1ccc(O)cc1 261188 GFKATHUZHCCVSU-ATVHPVEESA-N 284.315 2.311 50 40 CEGB CC1=NO[C@@H]2NC(=O)C(C#N)=C(c3ccc(Cl)cc3)[C@@H]12 6591496 VICAGLBTYOFRIE-RISCZKNCSA-N 287.706 2.095 50 40 CEGB CC[C@@H](Br)C(=O)Nc1ccc(O)cc1O 61997456 WKQNMFRQROHXDG-SSDOTTSWSA-N 274.114 2.210 50 40 CEGB CCOC(=O)NNC(=O)c1cccc(Cl)c1Cl 9460243 LSIVBRXCTONQST-UHFFFAOYSA-N 277.107 2.384 50 40 CEGB C/C(=N\NC(=O)c1ccccc1N)c1cccs1 20159265 ZHMILGLFYQWAER-OQLLNIDSSA-N 259.334 2.484 50 40 CEGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(F)cc2)n1 503578 CIUJXVLFGJULTC-LICLKQGHSA-N 288.326 2.179 50 40 CEGB N#C/C(=C\c1ccccc1Cl)C(=O)N1CCOCC1 108236212 LTWLFKTWHCYSSY-FMIVXFBMSA-N 276.723 2.106 50 40 CEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1O 59334843 SHRLZABRXOICNM-JYRVWZFOSA-N 286.331 2.124 50 40 CEGB COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1 408968733 YIDBFXAFNPEVAL-VXLYETTFSA-N 297.289 2.470 50 40 CEGB O=C(OC[C@@H](Br)C(F)(F)F)C(F)F 1083809839 QUBSQVVLEJFUOK-UWTATZPHSA-N 270.979 2.121 50 40 CEGB C[C@@H](Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C 32627430 FLWWKJPWKZPBHF-PWSUYJOCSA-N 254.761 2.033 50 40 CEGB in-vitro O=C(N/N=C/c1ccc(O)cc1O)NC1CCCCC1 3222266 CIDSMANEXNEXHA-OQLLNIDSSA-N 277.324 2.064 50 40 CEGB CCC(CC)=NNC(=O)C(=O)Nc1ccccc1C 58885866 XIRJWHCNZLPEPB-UHFFFAOYSA-N 261.325 2.226 50 40 CEGB COc1ccc(C(=C(C#N)C#N)C(C#N)=C(C#N)C#N)cc1 100955286 DDEJYZXSXFLOQR-UHFFFAOYSA-N 285.266 2.363 50 40 CEGB O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1 9596247 MJKSKCQYZODZCW-UHFFFAOYSA-N 280.755 2.103 50 40 CEGB Cc1nc(NC(=N)/N=C(\O)CCl)nc2ccccc12 4811919 IJYUSKYHHHGMFD-UHFFFAOYSA-N 277.715 2.480 50 40 CEGB C/C(=N/NC(=O)CCC(=O)N/N=C(/C)C(C)C)C(C)C 5905258 YTCYXQAUFQNDQD-NFLUSIDLSA-N 282.388 2.063 50 40 CEGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCC 409021187 YVIOEAPNKVAFEG-MHWRWJLKSA-N 276.336 2.292 50 40 CEGB CCCc1ccc(C(=O)NN)n1Cc1ccc(F)cc1 226026211 VRPPOQVYCZNVID-UHFFFAOYSA-N 275.327 2.232 50 40 CEGB COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1O 95938670 UTJMOSICSNDBAE-BOPFTXTBSA-N 284.315 2.094 50 40 CEGB Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)o1 5935874 JSJFVHPVBOFYPC-MHWRWJLKSA-N 271.320 2.418 50 40 CEGB CC(C)(C)NC(=S)NNC(=O)c1cccc(Cl)c1 14894670 BJHBOSZPHLELPE-UHFFFAOYSA-N 285.800 2.247 50 40 CEGB O=C(NCc1ccc(F)cc1)c1nnc(CCl)s1 20281533 ASEUMBOTPMBLJK-UHFFFAOYSA-N 285.731 2.346 50 40 CEGB CC1=NN(C(=O)CC(C)C)[C@@](C)(NNC(=O)CC(C)C)C1 303000 BKMPOWWLPZWNGX-OAHLLOKOSA-N 296.415 2.024 50 40 CEGB O=C(NNC(=O)c1cccc(F)c1)c1ccc(F)cc1 6888838 ULKRLLMNNIJLTR-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB COc1ccc(/C=C/C(=O)N/N=C/c2cccnc2)cc1 409056658 HSBZOPNQMPBMML-PXYULHTISA-N 281.315 2.254 50 40 CEGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)o1 3085857 ZPZWTYAQHGTLQY-RQZCQDPDSA-N 299.330 2.294 50 40 CEGB Cc1ccc(O)c(/C=N/NC(=O)c2ccccc2)c1 362265 FLHPVQNUFBOETD-MHWRWJLKSA-N 254.289 2.465 50 40 CEGB COCCn1cc(-c2nc(Cl)cc(CCl)n2)cn1 72226248 BVWCBEVHJLMALV-UHFFFAOYSA-N 287.150 2.379 50 40 CEGB NNC(=O)c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 226235296 FVEMVVWZMWDTOO-UHFFFAOYSA-N 286.722 2.487 50 40 CEGB CCS/C(=C(\C#N)C(N)=O)c1cc2c([nH]1)CCCC2 5953850 HFVGDMSRDONYSL-JLHYYAGUSA-N 275.377 2.367 50 40 CEGB NC(=O)c1oc2ccccc2c1NC(=O)CCCCl 4851898 PTVVSWGMLWNVNJ-UHFFFAOYSA-N 280.711 2.489 50 40 CEGB COC(=O)c1cc(OC)c(CBr)c(OC)c1 3843506 CKOPIHBZTQSVJU-UHFFFAOYSA-N 289.125 2.385 50 40 CEGB biogenic O=C(/C=C/CBr)OCC(=O)c1ccccc1 2560079 JARTYZWEUJDLPS-QPJJXVBHSA-N 283.121 2.364 50 40 CEGB O=c1cc(CCl)nc2sc3c(n12)CCCC3 3415927 LPIZOCZYLLJORX-UHFFFAOYSA-N 254.742 2.374 50 40 CEGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)N(C)C)cc1 408847105 PETDXVRTGJOQFY-QBFSEMIESA-N 295.342 2.481 50 40 CEGB Cc1cc2c(c(=O)o1)[C@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 12954184 NKURIEFMYPJUGJ-GXFFZTMASA-N 284.315 2.474 50 40 CEGB COc1ccc(OC)c(/C=N\NC(=O)c2ccc(C)nc2)c1 4575064 GUNMXQZAADUJCW-ZDLGFXPLSA-N 299.330 2.171 50 40 CEGB COc1cc(C[C@H]2CC(CCl)=NO2)cc2c1OCO2 15085712 JODLKVPFZFQWHX-JTQLQIEISA-N 283.711 2.350 50 40 CEGB Cc1ccc(C(=O)NNc2ncc(Cl)cn2)cc1 41156238 ANTGSUPPMVZDCC-UHFFFAOYSA-N 262.700 2.195 50 40 CEGB CC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(C)n[nH]c2O1 6382127 SOBMDYRADKFUKM-AWEZNQCLSA-N 294.314 2.114 50 40 CEGB Cc1ccc2c(CC(=O)NNC(=O)c3ccco3)coc2c1 14139286 QBPQBVKTSSACRO-UHFFFAOYSA-N 298.298 2.338 50 40 CEGB COC(=O)c1cc(Cl)cnc1CBr 95642716 OBVDYOHLYOSTAP-UHFFFAOYSA-N 264.506 2.417 50 40 CEGB O=C(O)COc1ccc(N(CCCl)CCCl)cc1 1675159 IVWVTSYBZDGRSH-UHFFFAOYSA-N 292.162 2.434 50 40 CEGB O=C(NNc1ccc(F)cc1)C(=O)c1cccs1 2375692 CYDBHQFBZKHSLR-UHFFFAOYSA-N 264.281 2.213 50 40 CEGB Cc1cc(C(=O)NNC(=O)c2ccco2)sc1C 12885944 BWCMKZDLXCGHQB-UHFFFAOYSA-N 264.306 2.033 50 40 CEGB CC(C)C(=O)Nc1cccc(NC(=O)CCl)c1 13608871 NUHFIGIVKQJHRN-UHFFFAOYSA-N 254.717 2.458 50 40 CEGB COC(=O)/C(=N/Nc1ccc(C)cc1C)C(=O)CCl 16804944 TZDGGTGFPUWLRV-FOWTUZBSSA-N 282.727 2.052 50 40 CEGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccccc1F 3175038 HABRHVRMPOEUOY-CAOOACKPSA-N 274.299 2.235 50 40 CEGB CC[C@H](C)/C(C)=N/NC(=O)COc1ccc(C#N)cc1 5560725 YVZUEKDIZDHWDU-GBTTUNCCSA-N 273.336 2.475 50 40 CEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 408972251 OGILPJNRLBPWOT-YXHQGMJNSA-N 289.379 2.175 50 40 CEGB O=C(N/N=C\c1ccc(O)cc1)[C@@H]1OCCc2ccccc21 32655523 BOBILCUXNWRMNZ-CJMVGXJBSA-N 296.326 2.156 50 40 CEGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408967243 PLGZMOMWLCSHTE-VXLYETTFSA-N 297.289 2.470 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2OC)cc1 31723645 MWMVQXSEVKONQG-BOPFTXTBSA-N 284.315 2.468 50 40 CEGB CCOC(=O)N/N=C(/C)c1cccc([N+](=O)[O-])c1 5315579 WWWRVNSUEHRMQD-WQLSENKSSA-N 251.242 2.065 50 40 CEGB CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CBr 34614097 PBCOFGASVWDIPR-ZETCQYMHSA-N 278.146 2.307 50 40 CEGB COCCCNC(=O)/C(C#N)=C/c1ccc(C)s1 3322620 RAJVIBPTTCLLAR-DHZHZOJOSA-N 264.350 2.116 50 40 CEGB COc1ccc(C(=O)NNc2ncnc3ccccc23)cc1 12981351 MBVITBKZAQFNEI-UHFFFAOYSA-N 294.314 2.395 50 40 CEGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccco1 83326190 QEKAGJYQOGNVCH-LUYJPIOASA-N 272.304 2.244 50 40 CEGB C/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)C(=O)O 4036713 KJQJFOWJZVEOCI-WJDWOHSUSA-N 292.335 2.074 50 40 CEGB C/C(=N/NC(=O)[C@H](C)Sc1ncccn1)C(C)(C)C 4492312 FIUMDMUZTLOHLO-MYMQZEFKSA-N 280.397 2.495 50 40 CEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C#N)cc1 59249 KWJIIPLDIXPQMR-HNNXBMFYSA-N 291.310 2.373 50 40 CEGB O=C(CCc1ccccc1)NNC(=O)Cc1cccs1 378986 AWRCMKKOPLLITH-UHFFFAOYSA-N 288.372 2.071 50 40 CEGB CC(C)(C)OOC(=O)/C=C/C(=O)OOC(C)(C)C 104041392 HOPIVVNSWHBBIA-BQYQJAHWSA-N 260.286 2.089 50 40 CEGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)[nH]1 7278859 IKHKZTVFRLAXRB-OVCLIPMQSA-N 257.293 2.101 50 40 CEGB N#CC1=C(N)O[C@@]2(C(=O)Nc3ccccc32)C2=C1CCCC2 132754 KULLMDFTIUGDRK-KRWDZBQOSA-N 293.326 2.429 50 40 CEGB biogenic NNC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 216737603 WNDYYYBHFTVSKO-UHFFFAOYSA-N 254.648 2.343 50 40 CEGB Cc1cc(Br)cnc1NC(=O)CCl 45922062 ZZYDGOKPFHRMAD-UHFFFAOYSA-N 263.522 2.330 50 40 CEGB CC(C)c1ccc(C(=O)NN)cc1Br 226256067 PJKBOMLMKPCCMZ-UHFFFAOYSA-N 257.131 2.176 50 40 CEGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8973225 KPTCALHQWRLRQI-CQSZACIVSA-N 280.331 2.499 50 40 CEGB O=C(CCc1ccccc1)N/N=C/c1ccc(O)cc1O 343040 DCRSFVRJZBIQOQ-GZTJUZNOSA-N 284.315 2.181 50 40 CEGB O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C5=C(CCCC5)[C@H]43)[C@@H]12 104281412 TWPKKKBHBOVJOC-SNIKSBKOSA-N 256.301 2.235 50 40 CEGB Cc1ccc(-n2c(C)cc(C(=O)NN)c2C)cc1C 223701503 GQBRRNPLOYKLPN-UHFFFAOYSA-N 257.337 2.314 50 40 CEGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 38792 ITMMGFORVCVOBN-AWEZNQCLSA-N 272.279 2.496 50 40 CEGB Cc1occc1C(=O)NNC(=S)NC1CCCCC1 1012051 QBVWIMDSBTZERL-UHFFFAOYSA-N 281.381 2.030 50 40 CEGB O=C(N/N=C/c1ccccc1Br)C1CC1 3232396 PHQFTZHKNZINDS-NTUHNPAUSA-N 267.126 2.309 50 40 CEGB NNC(=O)c1ccccc1NC(=O)c1ccccc1Cl 4015602 LIBJSSANTPIULR-UHFFFAOYSA-N 289.722 2.196 50 40 CEGB O=C(CCl)c1cc(Br)c(O)cc1O 106679917 DQZTVDZABAEQOH-UHFFFAOYSA-N 265.490 2.282 50 40 CEGB COc1ccc(C(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1 34200733 PLGNDGZVZXUFOP-YVLHZVERSA-N 298.298 2.157 50 40 CEGB CC[N+](C)(C)c1ccc(/C=C(/C#N)C(=O)OC)cc1 1559011 KTJVLJADKKWMOK-RAXLEYEMSA-N 259.329 2.353 50 40 CEGB NNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 4675289 KXBIDWBCDFFOMU-UHFFFAOYSA-N 265.316 2.298 50 40 CEGB CCOC(=O)/C(C#N)=C/NNc1nc2ccccc2s1 2212147 VVXXEDPHNXACEN-CMDGGOBGSA-N 288.332 2.183 50 40 CEGB Cc1cc(/C=N/NC(=O)c2cccnc2)cc(C)c1O 7931325 DKTGYCMEZSBKHT-CAOOACKPSA-N 269.304 2.168 50 40 CEGB Cc1ccc(C(=O)N/N=C\C=C\c2ccco2)cn1 4724715 VHPZVSRQYGKIAZ-DKPBEFHUSA-N 255.277 2.412 50 40 CEGB CSc1nccnc1CN(C(=O)CCl)C(C)C 79435472 QEKIRSMBSCVFBM-UHFFFAOYSA-N 273.789 2.174 50 40 CEGB O=C1N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 139155998 PXBOIYCSALTRHO-HNNXBMFYSA-N 297.310 2.443 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2nc(C)cc(C)n2)cc1 493891 BNHXVMYWDUZYKW-XDHOZWIPSA-N 298.346 2.256 50 40 CEGB CC/C(=N\NC(=O)OC)c1cccc([N+](=O)[O-])c1 43911538 JNUCZFANZGDRIT-ZRDIBKRKSA-N 251.242 2.065 50 40 CEGB CCCNC(=S)NNC(=O)c1csc2c1CCCC2 6934668 KWEMDZQBXNERLK-UHFFFAOYSA-N 297.449 2.146 50 40 CEGB CC(C)NC(=O)CC(=O)N/N=C/c1cccc2ccccc12 59515306 AWTHYAMQHFTTTQ-WOJGMQOQSA-N 297.358 2.205 50 40 CEGB COC(=O)c1ccccc1OCCBr 38955273 VMYXWCWZIWWLQV-UHFFFAOYSA-N 259.099 2.247 50 40 CEGB CCN(CC)CC(=O)N/N=C/c1c(F)cccc1Cl 4525841 UUQXDUCXERLDOJ-LZYBPNLTSA-N 285.750 2.271 50 40 CEGB O=C1[C@H](Br)CCN1c1ccc(F)cc1 82606400 JOGRIGISZKFETF-SECBINFHSA-N 258.090 2.326 50 40 CEGB O=C(CI)Nc1ccc(F)cc1F 72226297 DFJSRRQULBWNCY-UHFFFAOYSA-N 297.042 2.338 50 40 CEGB COc1ccc2c(c1)N([C@H](C)C(=O)NN)C(C)(C)C[C@@H]2C 260619407 LDDXTLLGUHINJL-WDEREUQCSA-N 291.395 2.166 50 40 CEGB NNC(=O)[C@@H]1CCCN(Cc2cccc3ccccc23)C1 23115327 JXOWBKOSZQAODR-OAHLLOKOSA-N 283.375 2.042 50 40 CEGB CCN1CCC(=NNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 4155293 RMYOCFMZUYVMAS-CVEARBPZSA-N 285.391 2.378 50 40 CEGB O=C(COc1ccccc1)N/N=C\c1cccc([N+](=O)[O-])c1 31729791 WRWGMFJPEJRIEG-YBEGLDIGSA-N 299.286 2.124 50 40 CEGB Cc1cc([N+](=O)[O-])c(-c2ccc(C(=O)NN)o2)cc1Cl 73640280 ZWHYIJBOHUYIOT-UHFFFAOYSA-N 295.682 2.420 50 40 CEGB Cc1ccc(C(=O)NN)cc1-c1cc2ccccc2oc1=O 216936520 MGWHVKJJADHLJA-UHFFFAOYSA-N 294.310 2.372 50 40 CEGB NNC(=O)Cc1cccc(-c2nc3ccccc3s2)c1 41127581 VJARUTYBAOBSNW-UHFFFAOYSA-N 283.356 2.496 50 40 CEGB O=C1CC(c2ccccc2)(c2ccccc2)C(=O)O1 196683798 OXTDWIZJGOVNAZ-UHFFFAOYSA-N 252.269 2.446 50 40 CEGB Cc1ccsc1-c1nnc(NC(=O)CCl)o1 57218503 QDGYQFNQSAAFPF-UHFFFAOYSA-N 257.702 2.284 50 40 CEGB in-vitro COC(=O)CCNC(=O)CCCC[C@H]1CCSS1 61493676 KIEKMHCOYAJKCC-JTQLQIEISA-N 291.438 2.380 50 40 CEGB biogenic CC(C)OCc1ccccc1CNC(=O)CCl 68583551 KCCSFKMWQISPMH-UHFFFAOYSA-N 255.745 2.467 50 40 CEGB in-vitro CCCCCCC[C@@H]1C[C@H](/C(C)=N/NC(N)=O)OC1=O 8686366 OZPFGYAUILEWCF-DYBVGFEPSA-N 283.372 2.323 50 40 CEGB CCN(CC)S(=O)(=O)c1ccc(CCCl)cc1 20190780 VXKROODYJBYSMG-UHFFFAOYSA-N 275.801 2.498 50 40 CEGB Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1 60273296 GCIWRHLPHZZTPL-UHFFFAOYSA-N 267.691 2.497 50 40 CEGB in-vitro Cc1ccccc1/C=C/C(=O)NNC(=O)c1ccoc1C 8351103 UBPNWQNKQHLCLC-BQYQJAHWSA-N 284.315 2.371 50 40 CEGB Cc1cccc(OCC(=O)N/N=C\c2cccn2C)c1C 30843357 VGOWESQLIJCUDT-YVLHZVERSA-N 285.347 2.171 50 40 CEGB NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N 2656595 MPDFAMPLLOPPNC-UHFFFAOYSA-N 267.741 2.254 50 40 CEGB CCCNC(=O)/C(C#N)=C/c1ccc(OC)cc1OC 13944100 MWYONMYKTGIYTO-XYOKQWHBSA-N 274.320 2.137 50 40 CEGB COC(=O)/C(C#N)=C\c1cc2c(cc1Cl)OCO2 4510775 YRFVCDDKRHSLEX-WAPJZHGLSA-N 265.652 2.149 50 40 CEGB CCOC(=O)C1=NN(c2ccccc2)/C(=C/C#N)S1 96941217 GCXSJDYYYTVESU-FLIBITNWSA-N 273.317 2.481 50 40 CEGB CN1C(N)=C(C#N)[C@@H](c2ccco2)C2=C1CCCC2=O 409134246 NVOINJOWCFBBIG-ZDUSSCGKSA-N 269.304 2.010 50 40 CEGB COc1cc(C=NNC(=O)c2ccccc2)ccc1O 252628643 SUYNYZZSBOCBER-UHFFFAOYSA-N 270.288 2.165 50 40 CEGB CCCOCc1ccccc1CNC(=O)CCl 62146660 UHIXKZHBWZOSIP-UHFFFAOYSA-N 255.745 2.468 50 40 CEGB in-vitro C[C@@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 100029905 BLUAFEHZUWYNDE-PLQYQPERSA-N 282.336 2.395 50 40 CEGB CCOC(=O)[C@@H](C)/C(C)=N/NC(=O)Nc1ccccc1 4178256 BVICBASPCLMLHD-ADHQNKHFSA-N 277.324 2.383 50 40 CEGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1O 580461 UTJMOSICSNDBAE-GZTJUZNOSA-N 284.315 2.094 50 40 CEGB C#CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1CC=C 59334795 GTGHZZFFJONPQJ-VBKFSLOCSA-N 294.354 2.422 50 40 CEGB CC(=O)O[C@H]1[C@H]2CC(C)(C)CC2=C(C=O)[C@@]2(C=O)C[C@]12C 103967927 MJXHKPSYLUUZDJ-SDNTUTLCSA-N 290.359 2.459 50 40 CEGB N#Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 3449423 VGBGULQYHSFLKR-UHFFFAOYSA-N 299.717 2.286 50 40 CEGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1O 4155654 PYLKCEHDEFLRSL-OVCLIPMQSA-N 274.276 2.066 50 40 CEGB CCCC(=O)NNC(=S)Nc1ccccc1C 6389176 YMCHUHAMUMLCIW-UHFFFAOYSA-N 251.355 2.113 50 40 CEGB CC(C)NC(=O)/C(C#N)=C/c1cccc(F)c1F 95393161 MJNVNEXOXRYGIV-UXBLZVDNSA-N 250.248 2.396 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccccc1C 96518961 VDADFDSXPVBBNR-GHMZBOCLSA-N 262.758 2.028 50 40 CEGB CC(=O)N/N=C(\C)CC(=O)Nc1c(C)cc(C)cc1C 4402011 TWBOVYSZRHYAPO-SFQUDFHCSA-N 275.352 2.452 50 40 CEGB NC1=N/C(=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21 100931609 IUTIVDADCAYMSS-UHFFFAOYSA-N 298.733 2.151 50 40 CEGB CC(=O)Nc1ccc(SCC(=O)/C(C#N)=C(/C)N)cc1 104853251 FZYUGFIEKBLSNN-LCYFTJDESA-N 289.360 2.062 50 40 CEGB COc1ccc(C=C2[C@H]3C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]32)cc1 104146711 PDACYKVUVCOEAG-AYRXBEOTSA-N 282.295 2.210 50 40 CEGB N#C/C(=C/c1ccccc1)C(=O)NC1CCN(C2CC2)CC1 98007786 QAIMMUVGHFFHIM-QINSGFPZSA-N 295.386 2.337 50 40 CEGB O=C(Cl)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 45958477 CEPAQZLTMBUVCQ-SSDOTTSWSA-N 280.736 2.415 50 40 CEGB CCN(C(=O)CCl)c1ccc(OC)c(OC)c1 199758532 RIMALQFLCINSFJ-UHFFFAOYSA-N 257.717 2.296 50 40 CEGB CC(/C=C/c1ccco1)=N/NC(=O)c1ccncc1 437135 QUVHKWHEWFRMPK-HGLKRVRZSA-N 255.277 2.494 50 40 CEGB C/C(=N/NC(=O)c1cc(C)n[nH]1)c1ccc(C)cc1 13619012 QRTYONXPFFWSAT-WJDWOHSUSA-N 256.309 2.181 50 40 CEGB CC(=O)Nc1ccc(-c2nnc(CCl)o2)cc1 20135862 YOOOKKGGRALGHB-UHFFFAOYSA-N 251.673 2.434 50 40 CEGB N#Cc1ccc(/C=N/NC(=O)CNc2ccccc2F)cc1 3225737 NZXFXQOBBIUEKT-KEBDBYFISA-N 296.305 2.260 50 40 CEGB O=C(N/N=C/c1ccc2ncccc2c1)c1ccncc1 13205686 IKJMOHDDBMWYCU-YBFXNURJSA-N 276.299 2.394 50 40 CEGB CCc1n[nH]c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 4631559 ZXYDRHXBYYJMCT-LBPRGKRZSA-N 284.294 2.329 50 40 CEGB Cc1ccc(CC(=O)NNC(=O)c2cccs2)cc1C 6939269 BFEWYXUWRRJOIH-UHFFFAOYSA-N 288.372 2.369 50 40 CEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O 5934732 BFRLSTIOAWXRDZ-XYOKQWHBSA-N 295.298 2.341 50 40 CEGB N#C/C(=C\c1ccccc1F)C(=O)NC[C@H]1CCCO1 43079433 GMBMUGRHYZCYRK-YQCJOKCJSA-N 274.295 2.028 50 40 CEGB NC(=O)N/N=C/CC(=O)c1ccc2ccccc2c1 16545742 OJOXYFNTSFWNJM-LZYBPNLTSA-N 255.277 2.067 50 40 CEGB CN/C(SC)=C(\C#N)S(=O)(=O)c1ccc(C)cc1 33734754 BRPCEPOAHATOES-QXMHVHEDSA-N 282.390 2.044 50 40 CEGB Cn1cccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 44016 SKQGDIRHJLTTRC-CQSZACIVSA-N 297.358 2.476 50 40 CEGB CC(C)Sc1nnc(NC(=O)CCl)s1 9295656 YZRJRNMVFWVUOJ-UHFFFAOYSA-N 251.764 2.216 50 40 CEGB O=C(CSc1ccccc1)N/N=C/c1ccccn1 408858139 MQPSTMXOBDUWBD-MHWRWJLKSA-N 271.345 2.324 50 40 CEGB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCl 83318424 KYVISGDNMLUVHY-VHSXEESVSA-N 290.791 2.177 50 40 CEGB Cc1ccc(S(=O)(=O)CCCC(=O)Cl)cc1 96025090 OLGRRRBUNKSSRY-UHFFFAOYSA-N 260.742 2.314 50 40 CEGB COc1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 4379729 LODWYIYEUYBYQW-MHWRWJLKSA-N 299.286 2.367 50 40 CEGB CC[C@H](Br)C(=O)Nc1cc(O)ccc1O 61997457 OERGLKRKTOYHRU-ZETCQYMHSA-N 274.114 2.210 50 40 CEGB O=C(CSCc1ccccc1)N/N=C/c1ccncc1 59154476 VVHVTDXMEQLMHA-LICLKQGHSA-N 285.372 2.465 50 40 CEGB CCOC(=O)NNC(=O)c1csc(-c2ccccc2)n1 12998462 RHHPQYANSHKIIN-UHFFFAOYSA-N 291.332 2.201 50 40 CEGB CCOC(=O)NN(C/C=C/Cl)C/C=C/Cl 17013946 LHKUBUXTEPQWEM-GGWOSOGESA-N 253.129 2.455 50 40 CEGB CCOc1ccc(/C(C)=N/NC(=O)C(O)(CC)CC)cc1 4837092 XMKGMOHZESGKNL-SFQUDFHCSA-N 292.379 2.477 50 40 CEGB N#Cc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 1094403 PZTIJTBPTMXZOS-LICLKQGHSA-N 265.272 2.028 50 40 CEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)o1 267706 LKMBHSDJEPBSHG-ZDUSSCGKSA-N 288.303 2.233 50 40 CEGB CC(=O)C12[C@H]3C=C[C@H]4[C@@H]3[C@@H]3[C@H]1C=C[C@H]3C42C(=O)CCl 104289101 HNGCLNVZBDVNLW-HJOFXOTCSA-N 274.747 2.234 50 40 CEGB N#C/C(=C/c1ccccc1F)C(=O)NCc1ccccn1 6633546 JVNBKANXQBTQHQ-LCYFTJDESA-N 281.290 2.444 50 40 CEGB O=C(CBr)N1C(=O)OC[C@H]1c1ccccc1 5774949 OVSTWKDFLSXEOE-VIFPVBQESA-N 284.109 2.101 50 40 CEGB O=C(NNC(=O)N1CCCCCCC1)c1ccc(F)cc1 9584671 VWGQFLJYKUHPPL-UHFFFAOYSA-N 293.342 2.446 50 40 CEGB Nc1ccc(C2=NO[C@@H](CBr)C2)cc1 140502218 NFDCTMKMTLNSPW-SECBINFHSA-N 255.115 2.157 50 40 CEGB C/C=C/C(=O)OC[C@H](Br)C(F)(F)F 1083809843 RXAPZNQRAXOADA-HRJJCQLASA-N 261.037 2.432 50 40 CEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2O)c1 582056 XLIADAKAPWGPPF-LICLKQGHSA-N 297.314 2.115 50 40 CEGB O=C(N/N=C/c1ccc2ccccc2n1)c1ccncc1 4897458 CYUBXTHNPFNGQN-WOJGMQOQSA-N 276.299 2.394 50 40 CEGB CCOC(=O)Cc1ccc(NC(C#N)=C(C#N)C#N)cc1 104763220 JYEWKGWDAUNYOI-UHFFFAOYSA-N 280.287 2.029 50 40 CEGB CCCc1sc(C(=O)NN)cc1Br 2568931 MBICXCXVTSREFB-UHFFFAOYSA-N 263.160 2.067 50 40 CEGB O=C(NCCCl)Nc1nnc(-c2ccccc2)o1 2663392 WLISVHDJGPRAMZ-UHFFFAOYSA-N 266.688 2.097 50 40 CEGB CCCCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 3157988 UMMUWKYXRGPERK-XNTDXEJSSA-N 262.309 2.114 50 40 CEGB CCOc1ccc(CC(=O)N/N=C/c2ccc[nH]2)cc1 10475846 KLAVNMOGURACMG-GZTJUZNOSA-N 271.320 2.106 50 40 CEGB O=c1c2c(nc3sccn13)[C@H](Br)CC2 35682681 QMLUNEGJMYEDAO-ZCFIWIBFSA-N 271.139 2.138 50 40 CEGB CC(=O)/C(C#N)=C1/NC(=O)[C@H](Cc2ccccc2C)S1 13635871 PSOITZFJSOZALM-FRRXJZEGSA-N 286.356 2.093 50 40 CEGB O=C1c2ccccc2N(C(=O)CCl)[C@H]2CCCCN12 4615107 PIHHPNBUQFHDSK-LBPRGKRZSA-N 278.739 2.224 50 40 CEGB CCCCCn1c(CCl)cnc1S(C)(=O)=O 47219293 XDFAVGHYGGTZEJ-UHFFFAOYSA-N 264.778 2.216 50 40 CEGB O=C(COc1ccccc1)N/N=C/c1ccc(F)cc1 580559 AQYCNQGZRXEHBV-LICLKQGHSA-N 272.279 2.355 50 40 CEGB O=C(N/N=C/c1c(F)cccc1F)c1cccnc1 3220429 PHCUMWJWXGVSKE-CAOOACKPSA-N 261.231 2.124 50 40 CEGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 2743108 DRXLKSJBVDLSNV-UKTHLTGXSA-N 288.347 2.479 50 40 CEGB O=C(CCl)Nc1ccnn1Cc1cccs1 38338607 LXWNTYQLBOQPGL-UHFFFAOYSA-N 255.730 2.170 50 40 CEGB in-vitro CNC(=O)/C(C#N)=C/c1cccc(-c2ccncc2)c1 96433627 DOHHWAWJFNYNML-XNTDXEJSSA-N 263.300 2.402 50 40 CEGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)o1 409000089 MLADURARVDAICF-GZTJUZNOSA-N 286.335 2.285 50 40 CEGB C[C@H](Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 3116712 TZEAQSUAGVBKIH-NSHDSACASA-N 281.787 2.004 50 40 CEGB CC(C)(C)[C@H](Cn1cccn1)NC(=O)C(Cl)Cl 2781052 UOIBBWQQQGLJSW-QMMMGPOBSA-N 278.183 2.218 50 40 CEGB NNC(=O)c1cccc(COc2ccc(F)cc2F)c1 4294115 HKPGSWWVHRUBLF-UHFFFAOYSA-N 278.258 2.147 50 40 CEGB CC(C)NC(=O)c1cccc(NC(=O)CBr)c1 35605254 BKVXLKQMWPZVPV-UHFFFAOYSA-N 299.168 2.158 50 40 CEGB COc1cccc2c1N([C@H](C)C(=O)NN)C(C)(C)C=C2C 260625085 YYOTYXIVBADUAM-LLVKDONJSA-N 289.379 2.076 50 40 CEGB CC(C)c1ccc(NC(=O)CCNC(=O)CCl)cc1 15423122 KOVKAFJOKJZNCJ-UHFFFAOYSA-N 282.771 2.494 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)OCCCO2 101018554 VIUFDHFGWLECLM-ZHACJKMWSA-N 288.303 2.230 50 40 CEGB in-vitro Cc1cc(CC(=O)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)[nH]n1 102393748 URXYEEWUPNCTFS-ZWSCYVBNSA-N 286.379 2.355 50 40 CEGB C=CCc1ccccc1OCC(=O)N/N=C/c1cccnc1 529115 XXXDGNACGHQADL-XDHOZWIPSA-N 295.342 2.339 50 40 CEGB Cc1c(C(=O)O)oc2c1C(=O)[C@H](Br)CC2 4465733 UOZWXNYJYRTMFH-RXMQYKEDSA-N 273.082 2.179 50 40 CEGB Cc1ccc(/C=N/NC(=O)CC2(C)OCCO2)c(C)c1C 58927978 MAUQNOKSGDKIQP-LICLKQGHSA-N 290.363 2.215 50 40 CEGB C/C(=N\NC(=O)c1ccccc1O)c1cccc(N)c1 12362540 QGKOFZZXMFLSJL-LICLKQGHSA-N 269.304 2.128 50 40 CEGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccco1 3393370 PZXQGVDTRWNGMX-UHFFFAOYSA-N 290.344 2.295 50 40 CEGB COc1ccc(OCc2nc(CCl)cc(=O)[nH]2)cc1 14989116 LSAMOUHCGBJSSE-UHFFFAOYSA-N 280.711 2.096 50 40 CEGB C[C@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2ccccc21 223195240 LIDSKPIJHHOZMP-WDEREUQCSA-N 261.369 2.157 50 40 CEGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 3150706 KXONRAHDODZAHS-XDHOZWIPSA-N 292.342 2.388 50 40 CEGB N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NC1CCCCC1 3269118 XMFXBOGXTNAKKW-XYOKQWHBSA-N 286.331 2.454 50 40 CEGB C#CCn1cc(/C=C(/C#N)C(=O)N(C)C)c2ccccc21 59334598 RVAUNOHPVXLVQH-RAXLEYEMSA-N 277.327 2.270 50 40 CEGB NC(=O)C(=O)NN=C1CCCCCCCCCCC1 5163907 CCYONGLNGWRYFQ-UHFFFAOYSA-N 267.373 2.249 50 40 CEGB CCCCC/C(C)=N\NC(=O)CNC(=O)c1ccccc1 16102260 GLVQBRQOCAPYQS-AQTBWJFISA-N 289.379 2.489 50 40 CEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 212651019 NBIYKSGDDGJVJX-LCYFTJDESA-N 257.337 2.184 50 40 CEGB CCS(=O)(=O)[C@H](Cl)C(=O)c1ccccc1C 96517811 IMQPSTLZQDJSJG-NSHDSACASA-N 260.742 2.177 50 40 CEGB COc1cccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c1 13109069 OVMZYEZFWNIAQU-UHFFFAOYSA-N 294.314 2.335 50 40 CEGB O=C(/C=C\c1ccccc1)N/N=C/c1ccncc1 17023982 MUBTWLFFAHUJTJ-CSEQLLSCSA-N 251.289 2.245 50 40 CEGB COc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 498140 FNYGNGRRHCNLRG-MHWRWJLKSA-N 270.288 2.165 50 40 CEGB N#CC1=C(N)C2=C(N3CCCCC3)CCC[C@@H]2C1(C#N)C#N 46548 UCSYIAIYVYABMU-LBPRGKRZSA-N 293.374 2.310 50 40 CEGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 45952467 FJPBCYGWGMVVBE-ZETCQYMHSA-N 258.104 2.458 50 40 CEGB Cc1cc(C)nc(NNC(=O)C=C(C2CC2)C2CC2)n1 71818684 OJZOHSOQPRHPOR-UHFFFAOYSA-N 272.352 2.283 50 40 CEGB O=C(N/N=C/c1ccc2c(c1)CCN2)c1cccs1 1716556 LYQVUXCGPIITKI-CXUHLZMHSA-N 271.345 2.480 50 40 CEGB COc1cc(/C=N/NC(N)=O)ccc1OCCC(C)C 3469373 HUXFXXAZCDMOQO-CXUHLZMHSA-N 279.340 2.122 50 40 CEGB O=C(O)[C@@H](Cc1ccccc1)N(CCCl)CCCl 1693998 QEGIMPLUXVXFNQ-GFCCVEGCSA-N 290.190 2.462 50 40 CEGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)C1CC1 3576606 WYOKFWUMLXIJPY-IJUHEHPCSA-N 278.180 2.242 50 40 CEGB CC1=C/C(=N\NC(=O)CNc2ccc(F)cc2)CC1 4935043 AHSBBCKDCGHGNL-LGMDPLHJSA-N 261.300 2.450 50 40 CEGB O=C(CCn1ccc2ccccc21)NNC(=O)c1ccco1 8139661 PXZATZRIRQSDEU-UHFFFAOYSA-N 297.314 2.086 50 40 CEGB CO[Si](CCCNC1CCCCC1)(OC)OC 169748391 KGNDVXPHQJMHLX-UHFFFAOYSA-N 261.438 2.177 50 40 CEGB O=C(Cc1nc2ccccc2[nH]1)N/N=C/c1ccccc1 12377849 ASYNSJCCMOFIGS-GZTJUZNOSA-N 278.315 2.256 50 40 CEGB CC1(C)CC(=O)C=C(NNC(=O)c2cccc(F)c2)C1 17087089 MPMGNDJQOXZFIU-UHFFFAOYSA-N 276.311 2.333 50 40 CEGB O=C(N/N=C/c1ccc(F)cc1)c1ccc2c(c1)OCO2 3474796 BEFMTIYUMCJJRE-CAOOACKPSA-N 286.262 2.318 50 40 CEGB COc1ccc(CN(C)C(=O)[C@H](C)Cl)cc1F 35186644 RMWBWIPSIQPMOW-QMMMGPOBSA-N 259.708 2.420 50 40 CEGB in-vitro O=C(NNc1ncccn1)[C@H]1CCCC[C@@H]1C(F)(F)F 48696291 XEUAPKNCDLXUAI-IUCAKERBSA-N 288.273 2.288 50 40 CEGB O=CN(/N=C/C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 5861168 XQRLTISKTXEADD-MHWRWJLKSA-N 297.270 2.426 50 40 CEGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(N)=O 98086282 YUOOLGAOIIKACE-YRNVUSSQSA-N 263.256 2.211 50 40 CEGB O=C(NNc1ccccc1)NC(=O)c1cccs1 223085898 RESQZZRDIVQESQ-UHFFFAOYSA-N 261.306 2.215 50 40 CEGB O[C@H](CCl)C[n+]1c2ccccc2nc2ccccc21 5605096 FVAKBCNAFFTXFP-LLVKDONJSA-N 273.743 2.275 50 40 CEGB CC(C)[C@@H](Br)C(=O)NCc1ccco1 19513652 QMJZKMNLKRRENI-SECBINFHSA-N 260.131 2.315 50 40 CEGB COc1ccc(/C=N\NC(=O)c2ccccc2)cc1[N+](=O)[O-] 58885240 DHTGFKUIXZGPGT-YBEGLDIGSA-N 299.286 2.367 50 40 CEGB O=C(CCl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4342931 SVTLNWVSXPESTC-UHFFFAOYSA-N 296.842 2.338 50 40 CEGB COc1ccccc1NC(=O)NNc1ccc(Cl)nn1 16500390 GIPQYOBZYDIWFB-UHFFFAOYSA-N 293.714 2.287 50 40 CEGB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1C 408776379 NKHOWIUPNXIMOG-ZSOIEALJSA-N 261.350 2.467 50 40 CEGB N#Cc1ccc2c(c1)C[C@@H](CI)O2 218743669 SFAYRKNASYDVKW-VIFPVBQESA-N 285.084 2.297 50 40 CEGB COC(=O)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 5605952 IEEQWVANVDVFFN-QMMMGPOBSA-N 274.070 2.204 50 40 CEGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1 13394969 CWMGPJRIDUIUOL-HJWRWDBZSA-N 293.710 2.432 50 40 CEGB CCn1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C)n1 4650883 VJDXDJHHSNGLJH-ZJURKNROSA-N 296.374 2.465 50 40 CEGB CC(=O)OC1=C(C)[C@@](C)(OO)C(=O)c2ccccc21 68571834 XRMQFJFXRVWWHK-CQSZACIVSA-N 262.261 2.425 50 40 CEGB COc1cccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c1 409205616 IUFVUOBHKQRMCO-PUMYGXPMSA-N 293.326 2.453 50 40 CEGB Cc1cc(C(=O)NNC(=O)C[C@H]2C=CCC2)c(C)o1 8143929 WGIZSZHDEDKVJM-NSHDSACASA-N 262.309 2.014 50 40 CEGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 408787264 WBUCLNMIOQUOBM-LICLKQGHSA-N 298.298 2.081 50 40 CEGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1C 225638 DAWUEYJDHHTUEH-OQLLNIDSSA-N 258.277 2.361 50 40 CEGB O=C(N/N=C/c1ccc2nccnc2c1)c1ccccc1O 2398805 RKMKGEXXUVVZBP-VXLYETTFSA-N 292.298 2.099 50 40 CEGB O=C(Cn1cnc2ccccc21)N/N=C/c1cccs1 73021 GZCOWJQRMYQVQO-LZYBPNLTSA-N 284.344 2.248 50 40 CEGB CC(=O)C12[C@H]3C=C[C@H]4[C@@H]3[C@H]3[C@H](C=C[C@H]31)C42C(=O)CCl 104289109 HNGCLNVZBDVNLW-WOIOMKAHSA-N 274.747 2.234 50 40 CEGB C[C@H]1C=NC(=O)N(CCCCCBr)C1=O 102435970 CBKISILGKSJODV-QMMMGPOBSA-N 275.146 2.221 50 40 CEGB O=C(N/N=C/c1ccncc1)c1cc(Cl)ccc1O 5670595 CZNZFGQISMBKPE-LZYBPNLTSA-N 275.695 2.205 50 40 CEGB O=C(Cl)c1ccc(S(=O)(=O)C(F)(F)F)cc1 60000287 GWSLCDCBAKNOQS-UHFFFAOYSA-N 272.631 2.359 50 40 CEGB Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccccn2)c1 5009841 XXPBOPJXPWZIMZ-FHNWIRHTSA-N 283.331 2.308 50 40 CEGB Nc1ccc(NC(=S)NC(=O)CCCCl)cc1 6276569 MLEFZGXIQLKZHS-UHFFFAOYSA-N 271.773 2.101 50 40 CEGB C[C@H](Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 32626873 AAUUDVSVTXSDCA-VIFPVBQESA-N 266.728 2.379 50 40 CEGB in-vitro CN1/C(=N\NC(=O)c2ccccc2)C(=O)c2ccccc21 102106593 RAFFQZILMXKNKW-ICFOKQHNSA-N 279.299 2.063 50 40 CEGB O=C(NCCCl)C(F)(F)C(F)(F)C(F)(F)F 1752314 ORSKKCUOGCUQSI-UHFFFAOYSA-N 275.551 2.174 50 40 CEGB COC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1 2768088 OXNKMAZJAMYGAN-GHXNOFRVSA-N 267.288 2.465 50 40 CEGB COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@@H](C)C(=O)NN 223830330 DNWNTFMHHZTNAW-QWRGUYRKSA-N 291.395 2.166 50 40 CEGB N#C/C(=C/c1ccc(Br)cc1)C(=O)O 97844289 REWONLOPJHWIMK-YVMONPNESA-N 252.067 2.441 50 40 CEGB O=C(N/N=C/c1cccc(F)c1)c1ccccc1O 37299 SQAABCUWCIQPMT-CXUHLZMHSA-N 258.252 2.295 50 40 CEGB CCCC[C@H](N)C(=O)Oc1ccc([N+](=O)[O-])cc1 100116076 ZCYAXSMOAFDRPQ-NSHDSACASA-N 252.270 2.018 50 40 CEGB COc1ccccc1N1CCN(CCCl)CC1 55345809 MUSOMUXTQGJZKD-UHFFFAOYSA-N 254.761 2.056 50 40 CEGB COc1ccc(OCC(=O)N/N=C/c2ccsc2)cc1 3274671 WOUODLNUNXNGOJ-OVCLIPMQSA-N 290.344 2.286 50 40 CEGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccn1 246706 ITHXFUHWMKSSJX-VCHYOVAHSA-N 264.288 2.327 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1 320220 NGHLNPLQVZRRAJ-UHFFFAOYSA-N 260.318 2.131 50 40 CEGB O=C(NNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 143081 AOBCKBIRAUQQSY-UHFFFAOYSA-N 276.242 2.040 50 40 CEGB O=C(CCCl)NCCCCCCNC(=O)CCCl 4014699 KYRIMKLUBAFBLV-UHFFFAOYSA-N 297.226 2.037 50 40 CEGB CCOC(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 31687273 XKWAGLRNAOOHFN-SDQBBNPISA-N 271.660 2.328 50 40 CEGB CCOC(=O)[C@@]1(C)CC[C@H](/C(C)=N/NC(N)=O)C1(C)C 4266644 JQNMXABYOGASNX-MEFSUFTNSA-N 283.372 2.036 50 40 CEGB CCOC(=O)/C(C#N)=C/Nc1cccc(OCC)c1 100469272 WQWZWFBTQHDMFZ-ZHACJKMWSA-N 260.293 2.468 50 40 CEGB in-vitro Cc1ccc(C(=O)N/N=C\c2ccccc2C(=O)O)cc1 58885250 WCYLWUPRHBXJBT-YVLHZVERSA-N 282.299 2.457 50 40 CEGB NNC(=O)CC[C@]1(c2ccccc2)CCCC/C1=N\O 104249382 XTPCRRRGXRLDAN-VUODPORTSA-N 275.352 2.099 50 40 CEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 4703120 BFCCUIGFAXXOQF-GZTJUZNOSA-N 289.379 2.129 50 40 CEGB C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43393638 BLUAFEHZUWYNDE-VCTNXPOSSA-N 282.336 2.395 50 40 CEGB biogenic,in-vitro NNC(=O)c1cccn1-c1cc(Cl)ccc1Cl 223728171 ODJWQFGHRDUOAR-UHFFFAOYSA-N 270.119 2.388 50 40 CEGB Cc1cc2c(c(=O)o1)[C@@H]([C@@]13C=C[C@@H](CC1)C3)C(C#N)=C(N)O2 494511 IJMCKQRFZFKYNM-NCHVAJSOSA-N 296.326 2.474 50 40 CEGB CC(C)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 6789314 JEZSVQUBHOGMPY-UHFFFAOYSA-N 274.242 2.122 50 40 CEGB CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)OC2=O)cc1 200442470 FQFSTGPPRLSJGI-NSHDSACASA-N 263.293 2.041 50 40 CEGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)O)c2C)no1 8205450 MRXYLSTXEMIUEX-WUXMJOGZSA-N 271.276 2.382 50 40 CEGB CCO[C@H]1CCC[C@H](CC(=O)NNc2ccccc2)[C@@H]1O 4537290 IOPUZZHFLYIKJJ-INWMFGNUSA-N 292.379 2.086 50 40 CEGB COc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1 4705982 FUCZYYIIIVBUML-GZTJUZNOSA-N 269.304 2.244 50 40 CEGB C[C@]1(C(=O)N/N=C/c2ccco2)CC1(Cl)Cl 2746017 UBEUWCGYNSNMKD-ACJFOYDFSA-N 261.108 2.314 50 40 CEGB Cc1cccc(-n2c(C)cc(C(=O)NN)c2C)c1C 223700860 RXKKOJJRNPFONB-UHFFFAOYSA-N 257.337 2.314 50 40 CEGB COc1ccccc1/C=N/NC(=O)c1ccc(N)cc1 136245 HTDJZRDZPUGXNU-LICLKQGHSA-N 269.304 2.041 50 40 CEGB C/C(=N\NC(=O)C[n+]1ccccc1)c1ccccc1Cl 5829324 IFYMOGKRNMKTBJ-SFQUDFHCSA-O 288.758 2.168 50 40 CEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 130847 OJZRHFIBPAONQO-OQLLNIDSSA-N 285.259 2.064 50 40 CEGB COP(=O)(OC)N(CCCl)CCCl 1721721 BRRKKAHIRNMUTP-UHFFFAOYSA-N 250.062 2.167 50 40 CEGB CN(C)c1ccc(/C=N/NC(=O)c2cccs2)o1 2768694 LZBJFINRMRXNRO-MDWZMJQESA-N 263.322 2.171 50 40 CEGB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCl 82167760 YJNXCBZPMBAIPU-MRVPVSSYSA-N 256.689 2.353 50 40 CEGB in-vitro Cc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 58900368 NHFUDLRKDGBNEC-CXUHLZMHSA-N 299.286 2.373 50 40 CEGB O=C(CCl)Nc1cccc(Oc2cnccn2)c1 4108366 OBEDAQWTJULQAK-UHFFFAOYSA-N 263.684 2.446 50 40 CEGB CC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 6456739 POAPPYVYSIXOJS-KNTRCKAVSA-N 293.326 2.074 50 40 CEGB BrCCOc1ccccc1-n1cnnc1 49582247 YHEQHEDLYOOWFW-UHFFFAOYSA-N 268.114 2.041 50 40 CEGB N#C/C(=C/c1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1 247394 DMWZRMMVJNXHPH-UNJUUPHPSA-N 295.342 2.370 50 40 CEGB CC(C)COc1ccc(/C=N/NC(=O)CC#N)cc1 267353 UMCXTMFVBUKDQO-CXUHLZMHSA-N 259.309 2.085 50 40 CEGB CCOC(=O)[C@@H](Cl)Cc1cccc([N+](=O)[O-])c1 63290 DHYRPHZNIQKSLW-JTQLQIEISA-N 257.673 2.308 50 40 CEGB CCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 569146 OSALDPVDYGKIJY-UHFFFAOYSA-N 290.344 2.222 50 40 CEGB O=c1c2ccccc2nc2n1[C@@H](CBr)CS2 1392649 RNDUBKQTARBHAS-ZETCQYMHSA-N 297.177 2.438 50 40 CEGB COc1ccc(NCC(=O)N/N=C2/C[C@@H]3CC=C[C@@H]23)cc1 35738492 ZXXGDLGDOICETD-MINVATMOSA-N 285.347 2.175 50 40 CEGB Cc1ccc(C(=O)NN=C2C[C@H]3CC[C@H](C2)N3C)s1 102217760 JUWODUAYRBSGIE-VXGBXAGGSA-N 277.393 2.399 50 40 CEGB Cc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1C 9377636 FGEBCQCPFSECFF-UHFFFAOYSA-N 272.304 2.280 50 40 CEGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(C)cc1 96517804 NQEPDOUZTNYFLN-LLVKDONJSA-N 260.742 2.177 50 40 CEGB Cc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1 3475638 IUTVPYGSRJNXPM-HKJBKDEOSA-N 296.326 2.285 50 40 CEGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(O)c1 100228521 WJCRLEXLLLXZDX-MYDMITEBSA-N 288.347 2.374 50 40 CEGB Cc1cccc(NCC(=O)N/N=C/c2cccc(O)c2)c1 223598 WSWTYXVHBCIIIE-VCHYOVAHSA-N 283.331 2.263 50 40 CEGB CCN(CC(F)(F)C(F)F)C(C#N)=C(C#N)C#N 3206696 YFJNSSHYJXGPEL-UHFFFAOYSA-N 260.194 2.034 50 40 CEGB COC(=O)c1ccnc(Cl)c1CBr 95642710 IYMDWPOHHSIKCS-UHFFFAOYSA-N 264.506 2.417 50 40 CEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(O)c1 409385818 JNFCNYGPIMAFHN-ZSOIEALJSA-N 281.315 2.488 50 40 CEGB COc1cccc(/C=N\NC(=O)Cc2ccccc2)c1O 95938710 XZFAQHGLOHOIOA-BOPFTXTBSA-N 284.315 2.094 50 40 CEGB CC(C)c1ccc(S(=O)(=O)/N=C(\N)CCl)cc1 19851466 YNAWGUMWXAGUMT-UHFFFAOYSA-N 274.773 2.095 50 40 CEGB NNC(=O)CCc1ccc(OCc2ccc(F)cc2)cc1 226345111 VSGVWHURESVKGE-UHFFFAOYSA-N 288.322 2.327 50 40 CEGB COc1ccc(/C(C)=N\NC(=O)c2cc(C3CC3)n[nH]2)cc1 13618906 CVXVTDMNXSYUMZ-YVLHZVERSA-N 298.346 2.450 50 40 CEGB