smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(F)c1 8113647 XVSAULRJADFWSO-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB CC1(C)c2cccc3c2-c2c1ccc1c2-c2c(cccc2C1(C)C)C#C3 68568875 CRQYINKIHOMQST-UHFFFAOYSA-N 332.446 6.012 30 40 EKEB CCCCCCCCN(C)/N=N/c1ccc(Cl)cc1C(=O)O 1731290 UPTQBUMDQJGNOB-VHEBQXMUSA-N 325.840 5.329 30 40 EKEB N#Cc1ccc(-c2ccccc2)nc1Oc1cccc(C(F)(F)F)c1 3128236 PJRKFHGYGZSKRY-UHFFFAOYSA-N 340.304 5.431 30 40 EKEB COc1cccc(OCc2ccccc2)c1C(=O)/C=C/c1ccccc1 5211023 YEYPTFXSFIQHEC-FOCLMDBBSA-N 344.410 5.170 30 40 EKEB CCCCCCCCCC[C@@H]([C@@H](O)c1ccccc1)N1CCCCC1 100689519 LWMQNQBOOGFMTA-GOTSBHOMSA-N 345.571 6.105 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2cc(C)ccc2C)cc1OC 409117297 MVBFKUGCIJPCCW-UHFFFAOYSA-N 337.463 5.217 30 40 EKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 318219 ADTFNLCFURLIFV-FSJBWODESA-N 346.361 5.399 30 40 EKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C#N)C1 570352 VFVWBOJOBFISTR-CYBMUJFWSA-N 346.455 5.150 30 40 EKEB O=C1/C(=C\c2ccccc2Cl)CC/C1=C/c1ccccc1Cl 12340180 RHVDVNSBPYATIJ-NFLUSIDLSA-N 329.226 5.823 30 40 EKEB CCCCCCCCCCc1nc2ccccc2n1CCCCCC 101433887 YNDQSSJRSFAKIS-UHFFFAOYSA-N 342.571 7.300 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409211340 MYZJWQUYXXIRCK-HMAPJEAMSA-N 346.386 5.233 30 40 EKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccccc2)c1 409219636 SPYILEACHAGJGR-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB COc1ccc(/C=N/Nc2ccc(C)cc2)cc1OCc1ccccc1 4924472 SPMZBJUMBHKZLF-HZHRSRAPSA-N 346.430 5.029 30 40 EKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 5513513 FWGKDAUTYHIHHQ-HZHRSRAPSA-N 347.414 5.033 30 40 EKEB C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl 6295356 IMMTZHKSONZVEX-UHFFFAOYSA-N 340.637 5.271 30 40 EKEB Cc1cc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1F 8301254 DNGCYANYDDSQAB-BUHFOSPRSA-N 331.390 5.610 30 40 EKEB Clc1ccccc1N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 33656625 NANXJBPVUSQAFU-GHIWRQRASA-N 348.833 5.680 30 40 EKEB O=C(/C=C\c1ccccc1)c1ccc(C(=O)/C=C/c2ccccc2)cc1 36223792 YDJKHVQLADEYIK-MJZABRMRSA-N 338.406 5.479 30 40 EKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCCC 409128099 DNMQZVSNKVAFNM-UHFFFAOYSA-N 325.452 5.133 30 40 EKEB C=C(C)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 46103 HGOOQPFGDIVMOP-UHFFFAOYSA-N 348.496 6.017 30 40 EKEB Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)c(C)c1 62168 LGUIYUNHWHVYAS-QGMBQPNBSA-N 338.632 5.176 30 40 EKEB C=CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OCC 6961106 XBSCNXVWGQGUIJ-FYJGNVAPSA-N 329.827 5.363 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409043440 QUHRYHPZJUHANX-GIJQJNRQSA-N 339.178 5.051 30 40 EKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cs2)cc1 409051930 DRQCZRGXJLSWGC-PXLXIMEGSA-N 349.459 5.211 30 40 EKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCCC 409122324 XVRLUBXZKVFDEA-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB C/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc2ccccc12 33783891 QMNIAHXKHYFSMO-OYKKKHCWSA-N 345.833 5.878 30 40 EKEB CCCCCCCCCC[C@H](CCCCCCC(=O)O)NC(C)=O 100301893 HOCXAEJKLQEEOU-LJQANCHMSA-N 341.536 5.447 30 40 EKEB FC(F)(F)c1cccc(/N=C/c2nc(-c3ccccc3)[nH]c2Cl)c1 100407546 LEZZFEAADHQWDU-LSHDLFTRSA-N 349.743 5.500 30 40 EKEB CC(C)(C)/C(=N\C(=O)c1ccc(Br)cc1)c1ccccc1 101063921 RXCUZDSOMINZSC-SILNSSARSA-N 344.252 5.125 30 40 EKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCl 245241016 WJYFACPYOCRQPX-LTGKAUERSA-N 334.931 5.350 30 40 EKEB CCn1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c2ccccc21 408934191 LPSNSJIDRKNUGE-JJFYIABZSA-N 331.341 5.126 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OCC 409115748 KHXMJRGSZDACQI-UHFFFAOYSA-N 345.870 5.478 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 409216365 KJJDVHGNYPUKEF-SRZZPIQSSA-N 348.229 5.073 30 40 EKEB COc1ccc2c(c1)[C@H](c1ccccc1)[S@@+](C)C(c1ccccc1)=C2 5181104 YTBOYHVGBKQNSN-UKILVPOCSA-N 345.487 5.544 30 40 EKEB CC/C(=N/Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 33778032 HAZUCLVSMICJDI-CYVLTUHYSA-N 338.194 5.128 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCC 85480594 WIBFFTLQMKKBLZ-OUKQBFOZSA-N 338.576 7.367 30 40 EKEB CCCCCCCCCCCCCC[C@@H](C)c1cc(C)cc(C)c1O 95866693 TVWGHFVGFWIHFN-OAQYLSRUSA-N 346.599 8.204 30 40 EKEB CCCCCCCCCCCCNC(=S)N(C)Cc1ccccc1 100984879 ZCMRRSDXPHFUBX-UHFFFAOYSA-N 348.600 5.914 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OCC 409122275 ZZOUMLCBTSZAMP-UHFFFAOYSA-N 345.870 5.532 30 40 EKEB CCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330402 ZIUWQGYFMUPSFC-HJWRWDBZSA-N 344.261 6.371 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(Cl)cc2)c(OCC=C)c1 3660951 OQEVYSVCAULBEZ-KGENOOAVSA-N 327.811 5.220 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OCC 6959788 JKENSKLCXSTMAD-FYJGNVAPSA-N 345.826 5.063 30 40 EKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cnc[nH]1 13765665 HCHICBFLKPOSSV-XUCMERPOSA-N 338.495 5.025 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3F)cc1)C2 408734226 IQQIPQAFQAIJHJ-DHRITJCHSA-N 344.433 5.713 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl 8367863 XRIYMGJFASHZHQ-SRZZPIQSSA-N 334.246 5.926 30 40 EKEB Oc1ccccc1/C=N\N=C(/C=C\c1ccccc1)c1ccc(F)cc1 16922725 IRGXMSVMSRIOPZ-GQMKYLCSSA-N 344.389 5.068 30 40 EKEB O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C\c1ccc(Cl)cc1 17105092 AAEPUKIGVYAVDF-HMMYKYKNSA-N 342.825 5.917 30 40 EKEB Cc1ccc(/N=C2/N=C(O)S/C2=C\c2ccccc2Cl)cc1 17919552 MUCJXSBTDQWGHQ-GDNBJRDFSA-N 328.824 5.380 30 40 EKEB Clc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1 58822583 RRVFUYYMVLCCME-HYARGMPZSA-N 336.822 5.365 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(C(C)C)cc1 101474302 NAMVERZVAMBNPM-UHFFFAOYSA-N 330.556 7.694 30 40 EKEB COc1c(Cl)cc(Cl)cc1C=Nc1sc(C)c(C)c1C#N 245228648 AQCYDHJHQGRGQX-UHFFFAOYSA-N 339.247 5.303 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)cc1 408766917 WXAJQAACGIUMAX-JLPGSUDCSA-N 345.490 5.473 30 40 EKEB CCOc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 544765 FEQNWINUVOBUMS-UHFFFAOYSA-N 339.782 5.009 30 40 EKEB aggregator CCCCCCCCCCCCOc1ccc(Br)cc1 1729192 UANZNBAPFCQDCN-UHFFFAOYSA-N 341.333 6.749 30 40 EKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccco1 6685348 RSXRXVRBKGHONM-WSDLNYQXSA-N 348.431 5.096 30 40 EKEB Cc1c(Cl)cccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 32100258 XCWGVUJFNLFVRD-CCEZHUSRSA-N 347.845 6.124 30 40 EKEB O=C(O/N=C(/c1ccccc1)c1cc2ccccc2o1)c1cccs1 36644270 NDRICJFHEPJVAY-VZCXRCSSSA-N 347.395 5.104 30 40 EKEB CCCCCCCCCOc1ccc(C=O)cc1Br 100306077 OOZJFSLCPLIYEK-UHFFFAOYSA-N 327.262 5.391 30 40 EKEB Oc1ccccc1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 100457789 MDZPQWBMHRKDAU-SRZZPIQSSA-N 338.476 5.067 30 40 EKEB CCCCCCCCCCCC1=NC[C@H](C[C@@H](C)CC(C)(C)C)O1 104043195 JHOWWIRKZSMQAQ-UXHICEINSA-N 337.592 7.167 30 40 EKEB CCCCCCCC[C@H]1[C@@H](CCCCCCCC(=O)OC)N1C 169805635 ZDSHEDCEQBPCFU-KTVLMBSMSA-N 325.537 5.323 30 40 EKEB COc1ccc(/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 6646138 JZZMOMMWXXLMTJ-UDWIEESQSA-N 349.415 5.066 30 40 EKEB CCCCCCCCCCCC[C@H](O)CCCCCCCCC 101673585 CXVXDJZIVPZPSN-JOCHJYFZSA-N 326.609 7.799 30 40 EKEB COc1ccccc1/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C 223474476 PQIGPHZFIOJHQN-BUVRLJJBSA-N 348.490 5.856 30 40 EKEB N#Cc1c(-c2cccc(Cl)c2Cl)c(-c2ccccc2)c[nH]c1=N 408978314 IAHQNXXOYNZXIP-UHFFFAOYSA-N 340.213 5.007 30 40 EKEB C=C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1O[C@]2(C)CCC=C(C)C 2097775 LXELBISQABCQRG-BDKRGJGYSA-N 326.480 5.997 30 40 EKEB N#Cc1c(/N=C/C=C/c2ccccc2Cl)sc2c1CCCC2 18140086 DONZZKZOCBFTEP-LCISEVAWSA-N 326.852 5.568 30 40 EKEB C=CCOC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC 95876443 KHPNSFFGLLOSHH-UXHICEINSA-N 338.532 5.964 30 40 EKEB CCc1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 98086880 FREWCALUCBNZGA-OEAKJJBVSA-N 342.398 5.513 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(F)cc4)ccc3o2)cc1 100384142 ZKDYMAOEOSTWFD-YDZHTSKRSA-N 330.362 5.693 30 40 EKEB C=CCOc1ccc(CNc2ccc(CC)cc2)cc1Br 409120253 SRUVCBZICIJKNI-UHFFFAOYSA-N 346.268 5.188 30 40 EKEB Cc1cc(C)c(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(C)c1 271141 TUSIZPUBFADKNO-BUVRLJJBSA-N 343.426 5.582 30 40 EKEB O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccccc1Cl 5689668 DQVHYMTZLZNVOU-UHFFFAOYSA-N 349.821 5.060 30 40 EKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 5808889 HDRUDSYPDBRZHT-KXFIGUGUSA-N 346.040 6.196 30 40 EKEB Cc1ccc(-c2csc(N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)n2)cc1 6438709 SJVCVARTRNUBQA-AEYAVPSDSA-N 339.508 5.733 30 40 EKEB COc1ccc(C)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 6794079 WULDBSQHAAYOQZ-UHFFFAOYSA-N 341.410 5.180 30 40 EKEB Cc1cc(O/C=C/C(=O)c2cccc3ccccc23)cc(C)c1Cl 16269381 GWWGPPLAASQQKN-ZHACJKMWSA-N 336.818 5.885 30 40 EKEB S/C(=N/C(=N/Cc1ccccc1)c1ccccc1)Nc1ccccc1 20028961 ZCSRDZXLYGMRNU-UHFFFAOYSA-N 345.471 5.031 30 40 EKEB CCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 100174540 ZQZICUICLNBRNL-CJLVFECKSA-N 339.435 5.183 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1ccc(CCCC)cc1 219806849 OQSHHGRKSIBPOS-UHFFFAOYSA-N 325.477 5.560 30 40 EKEB CCCC/N=C1\S/C(=C\c2ccc(CC)cc2)C(=O)N1CCCC 5552262 VKIVVSJGLLIRCI-SMNQVOTKSA-N 344.524 5.122 30 40 EKEB CSc1ccccc1/N=C/c1c(O)ccc2oc3c(c12)CCCC3 6182777 KDAWNQDHZJYOJJ-CIAFOILYSA-N 337.444 5.490 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 6942355 QSCPIOJKMJVJSZ-FYJGNVAPSA-N 331.843 5.587 30 40 EKEB COc1ccc2c(-c3ccccc3)cc(SCCCC#N)nc2c1 7738036 JKBDNCBPIPQDIP-UHFFFAOYSA-N 334.444 5.306 30 40 EKEB CCCn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 9879494 BMUSIGNLJKXSAA-OEAKJJBVSA-N 339.870 5.137 30 40 EKEB CCc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 223491799 OEGVJSZBANIDMX-PCLIKHOPSA-N 346.518 6.410 30 40 EKEB CC(C)N1c2ccc(/C=N/c3ccc(O)cc3)cc2[C@H](C)CC1(C)C 260563056 FIEVAPMUTGJVHN-BRABVMKYSA-N 336.479 5.643 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1Cl 409205919 RBCGLRJQIRBXEH-UHFFFAOYSA-N 326.198 5.309 30 40 EKEB N#Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 348364 RMVJLWCSUIJHBF-UHFFFAOYSA-N 349.393 5.475 30 40 EKEB CCCCCCCCCCCCC/C=C/C[C@H](CC(=O)O)C(=O)O 100167237 OEFYCSSKUNVOSE-LGHUBQEGSA-N 340.504 5.809 30 40 EKEB c1ccc([C@@H]2O[C@@H]2[C@@]2(c3ccccc3)Nc3ccccc3S2)cc1 100299792 ZEUYIQIOKFNOJX-ACRUOGEOSA-N 331.440 5.197 30 40 EKEB Cc1cccc(/C=N\c2ccccc2/N=C/c2cccc(C)c2O)c1O 104373705 DNVUYVBRNCWGAK-NQGGHMMCSA-N 344.414 5.216 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219818275 NWPSBUMARGOJFY-IBGZPJMESA-N 339.504 5.463 30 40 EKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(-c3ccccc3)cc2)c1 409099703 SFFZOVUERDWKPV-FYJGNVAPSA-N 336.778 5.666 30 40 EKEB Cc1sc(NC(=O)c2ccccc2Oc2ccccc2)c(C#N)c1C 4570318 RURWXXPXYPIUMF-UHFFFAOYSA-N 348.427 5.281 30 40 EKEB C=C1C[C@@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@@H]12 5791602 DDIANFAJRRTYHK-PKOBYXMFSA-N 325.452 5.706 30 40 EKEB Clc1ccc(-c2nc(/C=N/Nc3ccccc3)c3ccccn23)cc1 6188334 VPZRXHFOQYYCEQ-HYARGMPZSA-N 346.821 5.101 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 6247082 XBMVEEUHTALPMB-WTJYETQFSA-N 338.470 5.998 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(C)o3)c2)o1 7779807 RKOWHYKJCVTAPZ-GFULKKFKSA-N 346.382 5.282 30 40 EKEB CCCCCC(=C/c1ccccc1)/C=N/c1ccccc1C(=O)OC 17303488 YQIWYASBSBXASC-FIAINZHSSA-N 335.447 5.839 30 40 EKEB CCCCCCCNCc1ccccc1OCc1ccccc1F 102568290 FEXLAXSEPAIVHZ-UHFFFAOYSA-N 329.459 5.465 30 40 EKEB CCn1c2ccccc2c2cc(/N=C\c3cccc([N+](=O)[O-])c3)ccc21 104202383 FXVZLBDDTCBSQQ-HMAPJEAMSA-N 343.386 5.473 30 40 EKEB CCCCCCCCCCCCCCCc1cc(O)ccc1Cl 104390270 IGXPUAZPFOOSEE-UHFFFAOYSA-N 338.963 7.679 30 40 EKEB CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@H](C)CC1(C)C 198100374 NTRWRIBRDVZOAE-OAKZWBAKSA-N 348.534 6.673 30 40 EKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967830 SIJRPBFIWQLQPI-MFKUBSTISA-N 348.465 6.281 30 40 EKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(N=Nc2ccccc2)cc1 409363271 VIUJMYMKVGPYSG-FVHOMZTKSA-N 345.402 6.202 30 40 EKEB N#Cc1ccccc1Cn1cc(C(=O)C2CCCCC2)c2ccccc21 561030 FBGAYAOPQWLSIJ-UHFFFAOYSA-N 342.442 5.324 30 40 EKEB O=C(/C=C\Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 6925967 HNIPMLFYBGJMKQ-SREVYHEPSA-N 326.610 5.455 30 40 EKEB Cc1ccc(/N=C(\Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 15784097 UTBCPPWDTRPSBU-UHFFFAOYSA-N 331.375 5.094 30 40 EKEB N#Cc1ccc(/C=C\c2ccc(/C=C/c3ccc(C#N)cc3)cc2)cc1 31372569 KIAAMJMIIHTGBH-CGXWXWIYSA-N 332.406 5.771 30 40 EKEB CCCCCCCCCCCCCCCCCOS(=O)(=O)O 44386946 KGIBGHABTNQVJX-UHFFFAOYSA-N 336.538 5.677 30 40 EKEB biogenic CC(=O)N(/C(=N/c1ccc(C)cc1)c1ccccc1)c1ccc(C)cc1 101548292 IEJPWSWEYCOEJK-WCWDXBQESA-N 342.442 5.435 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(Cl)cc3)cc2C(C)=CC1(C)C 223474132 CUTOOSXVBJLPQF-UCQKPKSFSA-N 338.882 6.112 30 40 EKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408774277 BWOKCPRFBLUTHX-PCLIKHOPSA-N 348.465 6.326 30 40 EKEB Clc1cc(N=C(c2ccccc2)c2ccccc2)c2cccnc2c1 1857794433 DAAGSLURICDPQK-UHFFFAOYSA-N 342.829 6.057 30 40 EKEB C=C(C(=O)c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 2270840 NRJUDVPOGVERHI-QFIPXVFZSA-N 340.422 5.482 30 40 EKEB Cc1ccc(/N=C(/S)SCc2ccc([N+](=O)[O-])cc2)cc1C 6488090 ADVJZRJYLZAOAD-UHFFFAOYSA-N 332.450 5.062 30 40 EKEB O=C(/C(=C\c1ccccc1F)c1nc2ccccc2o1)c1ccccc1 12377892 ALWZVJISZDZCIT-SAPNQHFASA-N 343.357 5.390 30 40 EKEB Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N/C1CCCCC1 100612556 YFJHKTJYZYSPQI-ZNTNEXAZSA-N 326.443 5.694 30 40 EKEB CCCCCCCCCC[C@@H](C(=O)c1ccccc1)N1CCOCC1 100693561 RXYANZFODBXODW-NRFANRHFSA-N 345.527 5.101 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C)cc2C)c1C 408968309 VFSKZTROSMHFML-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB Clc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1 343175 OFKCBHSLXXMLDV-DJKKODMXSA-N 333.243 5.868 30 40 EKEB N#Cc1c(-c2ccc(Br)cc2)csc1N1CCCCC1 3267825 FEBRMUJFGFDCFK-UHFFFAOYSA-N 347.281 5.040 30 40 EKEB C/C(=N\OC(=O)c1cccs1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084866 PLDJQHRXNHLZTA-JVCUKQJDSA-N 327.449 5.208 30 40 EKEB Cc1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)cc1 5065801 BKLBENSVNWHQII-CJLVFECKSA-N 340.536 6.422 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 8084984 WLZVAQJMEKRJSC-BUVRLJJBSA-N 333.406 5.718 30 40 EKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C 408707442 BAYOMBQEEOXYGY-UHFFFAOYSA-N 346.515 5.005 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3cc(C(=O)O)ccc3C)c2C)c1 408758672 OWYKKPXKNZGOBV-QRVIBDJDSA-N 346.430 5.160 30 40 EKEB CCCCCCCCCCCCCCCCCC[N+]1([O-])CCCC1 104198976 XFQBGPSSXIBFJW-UHFFFAOYSA-N 339.608 7.356 30 40 EKEB COc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1Cl 6235827 DNTXPQDHZXIGTI-WSDLNYQXSA-N 346.833 5.147 30 40 EKEB COc1ccc(-c2cc(-c3ccc(C(C)C)cc3)c(C#N)c(N)n2)cc1 19939757 FGBUMUNOYVWDOM-UHFFFAOYSA-N 343.430 5.001 30 40 EKEB CCCCCCCCCCCC(=O)C[C@@H](SCC)c1ccccc1 104207777 AOBJSLNYGONCQA-JOCHJYFZSA-N 348.596 7.361 30 40 EKEB Cc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 198083874 OTFSPPJYQJOANP-LUILSVGHSA-N 340.898 6.121 30 40 EKEB Cc1ccc(COc2cccc(/C=C3\Cc4ccccc4C3=O)c2)cc1 409369690 VWEAIWDMRBAGRI-FYJGNVAPSA-N 340.422 5.396 30 40 EKEB FC(F)(F)c1ccc(/C=N/Nc2ccccc2C(F)(F)F)cc1 5414918 RSRKMLAPULCNOT-LSFURLLWSA-N 332.247 5.170 30 40 EKEB CC/C(=N\O)c1ccc2cc(Br)c3ccccc3c2c1 17156044 XGZRVOLTGCVKOT-HTXNQAPBSA-N 328.209 5.344 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccccc3)cc21 208459998 ZOFKDGDFBSXSOS-LPYMAVHISA-N 339.870 5.418 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1C 408913513 VIAJMEMNFZGIRF-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccccc1SC 409245535 VJKYFAYUWHKQRG-RCCKNPSSSA-N 340.492 5.158 30 40 EKEB N#Cc1c(/N=C/c2ccc[nH]2)oc(-c2ccccc2)c1-c1ccccc1 573318 SVFWVPGXRSAMEK-MFKUBSTISA-N 337.382 5.564 30 40 EKEB CN(C)c1ccc(/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 5549571 FNRJKIYQOOHDAN-XLNRJJMWSA-N 327.427 5.176 30 40 EKEB COc1cccc(Oc2ccc(/N=C/c3cc(C)c(O)c(C)c3)cc2)c1 6281091 RHFSKBQOMLOQRE-OEAKJJBVSA-N 347.414 5.561 30 40 EKEB COc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 8116628 ZEFJLYDKISUZGD-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB O=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)c2ccccc12 103751677 IGQWZYZNJULXSF-LPYMAVHISA-N 342.354 5.357 30 40 EKEB N#Cc1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(N)c1 225498195 ORUOCCLAGYZWMV-UHFFFAOYSA-N 335.794 5.330 30 40 EKEB CCCCCCCC/C=C1\C=C(C(F)(F)F)c2cc(O)c(O)cc21 1857523971 OWYMWLCFHDHVAH-UKTHLTGXSA-N 340.385 6.191 30 40 EKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 6048230 ZBEZMFCTDQREEX-RUDMXATFSA-N 342.263 5.203 30 40 EKEB CCCCCCCCCCCCCC[C@@H](/C=N\O)N1CCOCC1 100964945 HVVJEGKAZQEEMH-LCPUNJGISA-N 340.552 5.238 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(Cl)cc1C 101471580 NKZLUOGLZRKVET-UHFFFAOYSA-N 336.947 7.532 30 40 EKEB CC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 408740014 HPTBMOAGXVCGGI-OYKKKHCWSA-N 344.458 5.664 30 40 EKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)cc1 408959619 CCMCJECXIFCISP-LPYMAVHISA-N 341.817 5.086 30 40 EKEB Cc1ccc2oc(-c3ccccc3/N=C/c3ccccc3O)nc2c1 345177 DSGYCOPRZRJOQS-LPYMAVHISA-N 328.371 5.259 30 40 EKEB Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C 354237 IMMHGPKDOVCWKV-UHFFFAOYSA-N 346.455 5.007 30 40 EKEB FC(F)(F)c1cccc(/N=C/c2ccc(Br)cc2)c1 3098139 SKAWCHYPNBGNBN-DJKKODMXSA-N 328.131 5.219 30 40 EKEB Clc1ccc(-c2csc(NN=C3CCCC3)n2)cc1Cl 5511904 MFCKJBFBXMJGLU-UHFFFAOYSA-N 326.252 5.459 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(F)ccc2C)cc1 44843225 SLPIEXYCYNXJBK-VAWYXSNFSA-N 327.399 5.122 30 40 EKEB CCCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 59663897 NPVHJKPYGZUIOB-CJLVFECKSA-N 339.435 5.485 30 40 EKEB CCCCCN(CC#Cc1ccccc1)Cc1ccccc1Cl 61958712 JPMCPHCIHGRMRU-UHFFFAOYSA-N 325.883 5.384 30 40 EKEB COc1cccc(/N=C\c2ccc(/C=N/c3cccc(OC)c3)cc2)c1 104144410 WILUYCCJGCJLNY-REPVBDINSA-N 344.414 5.205 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2F)cc1 408588493 WNZWKYPALLKYBF-UHFFFAOYSA-N 343.442 5.817 30 40 EKEB C=CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 2701562 VNEGBAFBFWOWHI-UHFFFAOYSA-N 327.387 5.155 30 40 EKEB COc1cccc(C(=O)/C=C/c2c3ccccc3cc3ccccc23)c1 4277057 ZTGGZWGYZYLMOH-BUHFOSPRSA-N 338.406 5.898 30 40 EKEB CCCCCCC(/C=N\N=C/c1ccccc1O)=C/c1ccccc1 104099047 UJUCPIUMNCWTEH-IRYCUDSLSA-N 334.463 5.851 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(F)cc3)cc2[C@H](C)CC1(C)C 198102064 GGNQZRGFGDJYPL-HUSFYUSLSA-N 338.470 5.997 30 40 EKEB Cc1ccc(N2C(=O)ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 1680122 QMWNNXHRCDBXTL-HXUWFJFHSA-N 330.387 5.072 30 40 EKEB N#CCCn1cc(-c2csc(-c3ccc(O)cc3)n2)c2ccccc21 7321512 AYTSPPSLTYFJAB-UHFFFAOYSA-N 345.427 5.051 30 40 EKEB C/C(=N\NCc1c(Cl)cccc1Cl)c1cccc2ccccc12 9196268 VREUEXLXLRVVAP-YDZHTSKRSA-N 343.257 5.660 30 40 EKEB Cc1ccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)cc1 12753245 DPBMDRCZDULOEI-AQTBWJFISA-N 343.382 5.461 30 40 EKEB C=C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C 101105824 LXELBISQABCQRG-GBAJDQEWSA-N 326.480 5.997 30 40 EKEB Clc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1Cl 104389727 HYXSMGJMBJUFLQ-FMCGGJTJSA-N 338.237 6.315 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(=O)O)c2)c1C 408963835 AYXMXUFWOGKZLE-OEAKJJBVSA-N 346.430 5.105 30 40 EKEB Cc1ccc(C)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 61796 OWYRFXBJSDGECW-QGMBQPNBSA-N 338.632 5.176 30 40 EKEB CN(C)CCC[C@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 2193157 XPGZGKIYXGNBEM-OAHLLOKOSA-N 344.911 5.440 30 40 EKEB C=CC/C=C\C/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 40894551 UKMBKJYRCZVQFL-AFJQJTPPSA-N 328.496 6.368 30 40 EKEB biogenic,in-vitro Cc1cccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3o2)c1 102417494 GOTBNSDUIMGENG-YDZHTSKRSA-N 346.817 6.207 30 40 EKEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(C#Cc2ccccc2)cc1 2839610 WFNSAGXDAMKCAJ-XQNSMLJCSA-N 340.382 5.054 30 40 EKEB Cc1occc1/C(S)=N\c1ccc(Cl)c(COC(C)(C)C)c1 6483678 CMBPPBPDHAZOMK-UHFFFAOYSA-N 337.872 5.565 30 40 EKEB CCCCCCCCCCC/C(=N\O)c1cc(OCC)ccc1O 100930275 USTMBEBTNUTGPJ-XUTLUUPISA-N 335.488 5.890 30 40 EKEB Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c(Cl)c1 101091357 LBNVOSHPYYCRAY-UHFFFAOYSA-N 345.829 5.825 30 40 EKEB CC(=O)/C=C(/C)Nc1ccc(-c2ccc(N/C(C)=C\C(C)=O)cc2)cc1 109822042 MOJSUVOVMBDNCO-VMNXYWKNSA-N 348.446 5.163 30 40 EKEB C=CCSc1nc(Sc2ccc(C)cc2)c2sccc2n1 5942447 CDZWKIRLTPPHPY-UHFFFAOYSA-N 330.503 5.429 30 40 EKEB C/C(=N/c1cc(C(F)(F)F)ccc1Cl)Nc1ccc(C)cc1 12561734 ZJVDNXPIYNTQSQ-UHFFFAOYSA-N 326.749 5.829 30 40 EKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1 13633454 UMGIXOMWAYRSHK-LFVJCYFKSA-N 330.475 6.142 30 40 EKEB C[C@H]1CCc2c(c(-c3ccccc3)n3c(nc4ccccc43)c2C#N)C1 170622691 MMEMHGPKYLNSHH-HNNXBMFYSA-N 337.426 5.151 30 40 EKEB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\O 1772768849 TXLVFISHOZJIQV-WYIJURDSSA-N 329.440 5.043 30 40 EKEB N#C[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl 1397584 KKEHTMAYPZWVAM-LLVKDONJSA-N 338.621 5.527 30 40 EKEB O=C(/C=C\c1ccccc1)ON=C1CCCCCCCCCCC1 8733342 AFZHOVKJSZSIIS-ZCXUNETKSA-N 327.468 5.904 30 40 EKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N 19832455 QCWQGHAETNZAFA-UHFFFAOYSA-N 340.213 5.176 30 40 EKEB Cc1cc(/N=C/c2cccn2-c2ccccc2)ccc1Br 100224782 SYNUYRWFHOWEQK-DEDYPNTBSA-N 339.236 5.299 30 40 EKEB CCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O 100305737 LFJJOPDNPVFCNZ-UHFFFAOYSA-N 327.509 5.011 30 40 EKEB CCn1c(/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc21 349369 YKFYADNTIMIGCY-PCLIKHOPSA-N 349.437 6.113 30 40 EKEB CCCCCCCCCC/C=C/c1c(C)nc2ccccc2c1O 1872976 NYSUEMTXPNTMPW-NTCAYCPXSA-N 325.496 6.793 30 40 EKEB CCOc1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1OCC 17288054 XTKVXRGPRHAEQY-XKZIYDEJSA-N 341.451 5.372 30 40 EKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 32100575 VBGQTIKABQNRPP-MDZDMXLPSA-N 340.637 5.845 30 40 EKEB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 320438 IQIQDWIVVFBVQW-UHFFFAOYSA-N 338.476 5.048 30 40 EKEB CCc1cc2c(cc1C(=O)/C=C\c1ccco1)C(C)(C)CCC2(C)C 17023025 OKDHXUOQHVDJJL-KTKRTIGZSA-N 336.475 6.087 30 40 EKEB C=CCN(C(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CC1 95459114 INEJMDFFOYTJFR-UHFFFAOYSA-N 349.459 5.146 30 40 EKEB CCCCCCCCCCCCCCCC[C@H]1CCc2ccccc21 100306834 QMGOXEWNQKNUQO-QHCPKHFHSA-N 342.611 8.588 30 40 EKEB CCCCCCCCCC[C@@H](CN(CC)CC)[C@H](O)c1ccccc1 100689525 AJZZOFSTWTUZKH-XZOQPEGZSA-N 347.587 6.209 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(OC)c(F)c1 101473508 DUQGVSLLCVOVEL-UHFFFAOYSA-N 336.491 6.718 30 40 EKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#CCl 118914835 WJYFACPYOCRQPX-URNIPBEBSA-N 334.931 5.350 30 40 EKEB CCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 339130 MKNRBMCFGAETPO-OEAKJJBVSA-N 327.383 5.047 30 40 EKEB C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2773646 XCHQBIAWXLRVJP-UHFFFAOYSA-N 342.442 5.024 30 40 EKEB Cc1ccc(-c2c(C#N)cc(-c3ccccc3)n2Cc2ccccc2)cc1 4933813 VNEVUQKFCDWTII-UHFFFAOYSA-N 348.449 6.051 30 40 EKEB c1ccc2sc(NN=C3CCCCCCCCCCC3)nc2c1 5519587 ILACOCQOVLXEPO-UHFFFAOYSA-N 329.513 6.369 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1Cl 16711494 FQVGRDZONROWFR-VZCXRCSSSA-N 340.879 5.597 30 40 EKEB CCCCCCCC/C=C/C/C=C/C/C=C\CCCC(=O)NCCO 100298962 YKGQBEGMUSSPFY-YDGTZJKXSA-N 349.559 5.465 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2F)cc1OC 409378558 QEHPQEPXPYGPOE-WLQYJRLHSA-N 335.806 5.416 30 40 EKEB Cc1ccc(N/N=C/C(Br)=C/c2ccccc2)cc1Cl 3231813 SNHSUPVYCRFQSE-YQOHBIRZSA-N 349.659 5.482 30 40 EKEB Cc1ccc(/N=C/c2c(O)ccc3ccccc23)c(Br)c1 3233775 YTJJVQJMRNPYMF-RGVLZGJSSA-N 340.220 5.367 30 40 EKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 6962565 XTNSLJXIWPADCB-LFVJCYFKSA-N 345.442 5.723 30 40 EKEB C=CCc1ccccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 33327169 LXPPNTNDUXUCNL-UHFFFAOYSA-N 333.218 5.177 30 40 EKEB Cc1ccc(C(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 35289033 YFTSBHBPIBNXEF-UHFFFAOYSA-N 346.455 5.007 30 40 EKEB CCCCCCCC[N+]12CC[N+](CCCCCCCC)(CC1)CC2 104205419 NGYAZRSDBXAPKG-UHFFFAOYSA-N 338.624 5.368 30 40 EKEB CCCCCCCCCCCCCCCC[S@+](C)CCC(=O)O 105016514 UAAAFMIMHFYGHZ-HSZRJFAPSA-O 345.613 6.191 30 40 EKEB CSc1ccccc1/N=C/c1cccn1-c1ccc(Cl)cc1 408849537 XBCYGHUZSGEZMZ-DEDYPNTBSA-N 326.852 5.603 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)c(C)c1 409208250 BKGPIZIONFYBFE-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB Cc1ccc(CSc2nc(-c3ccc(C)cc3)ccc2C#N)cc1 4551323 JIRRUCTYEUQDSH-UHFFFAOYSA-N 330.456 5.529 30 40 EKEB CC(C)(C)C1=CC(=Nc2ccccc2S)C=C(C(C)(C)C)C1=O 4834302 GCQMTPRTHQSYBD-UHFFFAOYSA-N 327.493 5.576 30 40 EKEB CCCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br 6941695 JKJCZSPPBBUIJO-UDWIEESQSA-N 346.268 5.605 30 40 EKEB Cc1ccc(C)c(/N=C2\c3ccccc3-c3nc4ccccc4cc32)c1 13511467 YKGWWTVVWGHCGC-SHHOIMCASA-N 334.422 6.001 30 40 EKEB CCCCCCC[C@H](/C=C/CCC[C@H](C)O)c1ccccc1C(=O)O 100443336 KOHQFPCNYVFNDE-ISCMGLGLSA-N 346.511 5.936 30 40 EKEB CCCCCCCCCC[C@H]([C@H](O)c1ccccc1)N1CCCCC1 100689516 LWMQNQBOOGFMTA-DHIUTWEWSA-N 345.571 6.105 30 40 EKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2ccccc2CC)c1C 408965872 JNHZIDZBOPQFNG-JLPGSUDCSA-N 346.474 5.806 30 40 EKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2cccc(C)c2C)o1 62879 TUFRZUKJSWBTHU-WSDLNYQXSA-N 348.402 5.839 30 40 EKEB Fc1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)cc1 6889430 ZUQZVMPGNBGPBT-DJKKODMXSA-N 331.803 5.049 30 40 EKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 71977068 OIAPGYKGQIYUFV-IZZDOVSWSA-N 333.258 6.187 30 40 EKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 103531196 ZGLMBRPAIDDXLB-IWQZZHSRSA-N 346.086 5.260 30 40 EKEB Cc1ccsc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409081862 IDUGDHYGYMRYAX-SRRANQMSSA-N 342.533 5.891 30 40 EKEB CCOc1cc2c(cc1/C=N\c1ccc([C@@H](C)CC)cc1)OCO2 409098099 NINZIFKSIROJST-HKMXWPIPSA-N 325.408 5.078 30 40 EKEB O=C(c1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575360615 NLUZSHHVOSXFIL-UHFFFAOYSA-N 343.025 5.009 30 40 EKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccccc1Cl 3128244 WIYGRBLNNBWMPF-UHFFFAOYSA-N 341.197 5.719 30 40 EKEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 4523588 BNQMVXUMJXHTRL-HKOYGPOVSA-N 346.459 5.075 30 40 EKEB CC1(C)CC(O)=C/C(=N/Nc2nc(-c3ccc(Cl)cc3)cs2)C1 16949775 XOLJWKFKVKIUER-MOSHPQCFSA-N 347.871 5.493 30 40 EKEB N#Cc1c(/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 100047441 JXPPWINEUSTLGB-YZSQISJMSA-N 348.405 6.236 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](CC(C)C)c1ccccc1 219815964 VANPPXWRFRLKCO-LJQANCHMSA-N 339.504 5.482 30 40 EKEB C=C(C)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 519640 OEDYAAXTQVVBDW-UHFFFAOYSA-N 326.779 5.068 30 40 EKEB biogenic CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)nc2)cc1 2030435 AOJIOUFMDYKZAS-UHFFFAOYSA-N 326.443 6.020 30 40 EKEB Cc1ccc(NC(=O)O/N=C/C2=C(Cl)c3ccccc3CC2)cc1 4091928 XKTJSZVOFDDAJK-CIAFOILYSA-N 340.810 5.126 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C(C)C)cc2)cc1 44842911 VBARDUOUOVYKOK-CCEZHUSRSA-N 337.463 5.797 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(Cl)cc1 408772943 ODIWTONQILKZJQ-FOKLQQMPSA-N 344.792 5.776 30 40 EKEB Cc1cc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)ccc1F 409020777 TWNVTQUSCOVPGQ-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409023620 IZBYEIIVVFEYTC-YBFXNURJSA-N 345.876 6.009 30 40 EKEB Cc1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 409115729 KAOADCBCESIAHG-STZFKDTASA-N 348.427 5.805 30 40 EKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCC 409121509 YFOFYNFZHPWXOC-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB Cc1ccc(N/C(S)=N/[C@H](Cc2ccccc2)c2ccccc2)cc1 5553167 UKGHNQDETUXFIM-OAQYLSRUSA-N 346.499 5.677 30 40 EKEB Oc1c(/C=N/c2cccc(Br)c2)ccc2ccccc12 32101584 NFTVASZWBBPDGV-YBFXNURJSA-N 326.193 5.059 30 40 EKEB CCCCCCCCCCCCCCCCNCCC(=O)NCC 100016106 WRFODTCDGKTXNO-UHFFFAOYSA-N 340.596 5.584 30 40 EKEB CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC 100501255 HGNQNYGDTMTXFI-HTXRNKDDSA-N 344.539 6.861 30 40 EKEB Clc1ccccc1-c1nc(/C=N/c2ccccc2)c2ccccn12 100859346 UWEGSYVPEZPATE-HYARGMPZSA-N 331.806 5.405 30 40 EKEB F/C(=C\CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 103531119 IGVITSLVCFQODG-IWQZZHSRSA-N 346.086 5.260 30 40 EKEB CCOC(C/N=C\c1cc(C)c2oc3ccccc3c2c1C)OCC 104087945 YDFIPVFXNCYESY-UUYOSTAYSA-N 339.435 5.021 30 40 EKEB Cc1ccc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(C)c1 408962904 VWBRKDXLSVXLOI-UUYOSTAYSA-N 333.387 5.321 30 40 EKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C 409109569 HHTBTIIMTQVGSQ-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB Cc1cc(C)c(/C=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)c(C)c1 2891420 SZIMPHRHDXWZBS-OEAKJJBVSA-N 344.414 5.938 30 40 EKEB N#Cc1cc2c(nc1SCc1cccc(Cl)c1)CCCCCC2 4116541 GKFKDAUOENSDDJ-UHFFFAOYSA-N 342.895 5.558 30 40 EKEB CC/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 5504645 HAZUCLVSMICJDI-XDJHFCHBSA-N 338.194 5.128 30 40 EKEB Clc1ccc(/C=N\N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 17288195 VOXSRYYLVMOEEL-DWVBSFERSA-N 346.044 5.753 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 100160546 XRXSTDQNSZJGTD-BUVRLJJBSA-N 330.475 6.024 30 40 EKEB Cc1ccc2c(c1)/C(=N\C1CCCCC1)c1cc3cccc(C)c3nc1-2 103541591 SVSYXHITPXTFIS-OCOZRVBESA-N 340.470 6.002 30 40 EKEB Cc1cc(Cl)ccc1/N=C\c1ccc(OCc2ccccc2)cc1 104214229 BRFJPVXCXKXCFL-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1cc(F)c(N2CCCC2)cc1C 107959879 BZQHRXVAUZGLPO-WSDLNYQXSA-N 346.833 5.147 30 40 EKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1F 408737884 IRVZPXMKZRSRRL-FSJBWODESA-N 340.829 5.946 30 40 EKEB Cc1cccc2cc(/C=C/C(=O)c3ccc(Cl)cc3)c(Cl)nc12 4349963 CDGXILGAIGAOFF-JXMROGBWSA-N 342.225 5.746 30 40 EKEB Cc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(C)n1C1CC1 5603817 VNQCSXDIDKNZNP-SSDVNMTOSA-N 338.842 5.087 30 40 EKEB O=C(/C=C/c1cccc2ccccc12)c1ccc(Br)cc1 16957374 SMKOZOJSIIZLHV-JLHYYAGUSA-N 337.216 5.498 30 40 EKEB O=C1/C(=C\C=C\c2ccccc2)CCCC/C1=C\C=C/c1ccccc1 31669918 ONORUXCYOUKTBD-XCEVCIGDSA-N 340.466 6.409 30 40 EKEB C=C1S/C(=N\c2ccc(SC(F)(F)F)cc2)NC1(CC)CC 2562091 GFRHYRIQCWTKNW-UHFFFAOYSA-N 346.443 5.695 30 40 EKEB Oc1c(/C=N\c2ccc(Br)cc2)ccc2ccccc12 100248412 GHNSLMGYVKZPQV-ODLFYWEKSA-N 326.193 5.059 30 40 EKEB CCCCCCCCCCSC(=S)N(CCC#N)CCC#N 100931352 JUEAAENJVKUWOQ-UHFFFAOYSA-N 339.574 5.275 30 40 EKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Br)cc1 408962559 ZCFQAEFQEOFERV-DEDYPNTBSA-N 343.268 5.108 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1Cl 409112272 FPLSQTDNNHUTKM-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccco1)Nc1ccc3ccccc3c12 293578 FXETTWCKRHZRDB-JOCHJYFZSA-N 343.426 5.742 30 40 EKEB C=CCSc1nc(Cc2ccc(Cl)cc2)nc2ccccc12 3063734 KEGKAJWCHFXPGT-UHFFFAOYSA-N 326.852 5.152 30 40 EKEB CN(CC#CC=C(c1ccccc1)c1ccccc1)Cc1ccccc1 57234782 SATBUAPKQQMZLZ-UHFFFAOYSA-N 337.466 5.254 30 40 EKEB O=C1/C(=C\c2ccco2)C[C@@H](c2ccccc2)C/C1=C\c1ccco1 250813973 NHMQLLNWBPNUOX-XWKVODRNSA-N 330.383 5.486 30 40 EKEB O=C(O)c1cc(/N=C\c2ccc(-c3cccc(F)c3)o2)ccc1Cl 409012624 QZJFWZGDLQXSRJ-FBHDLOMBSA-N 343.741 5.188 30 40 EKEB CC1(C)C[C@](CC#N)(Cc2ccccc2)[C@H](Cc2ccccc2)CO1 2282062 SIEWHMGJYVAERM-GGAORHGYSA-N 333.475 5.187 30 40 EKEB Cc1cccc(Sc2nc(-c3ccc(Cl)cc3)ccc2C#N)c1 3128237 QDBBSCFVEOFRJA-UHFFFAOYSA-N 336.847 5.733 30 40 EKEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2 6048003 APORDFYOPGMDGC-DHZHZOJOSA-N 341.366 5.062 30 40 EKEB OC1=N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cccc(F)c1 6926037 YKNRDFREVJUMQN-ZROIWOOFSA-N 332.787 5.211 30 40 EKEB CCCCSc1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 16639405 IQDYJSJJIDHULK-UZYVYHOESA-N 337.444 5.338 30 40 EKEB F/C(=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F 59103342 DPXNAJTXBVCZPB-LOKDLIDFSA-N 344.070 5.386 30 40 EKEB CCCCCCCC[N+]1(C)CC[N+](C)(CCCCCCCC)CC1 97990141 GBJYIMJSRBVRJC-UHFFFAOYSA-N 340.640 5.614 30 40 EKEB CCCCCCCCCCCCOC(=O)c1ccc(O)c(OC)c1 100311125 WUVQTCSYFYTZTM-UHFFFAOYSA-N 336.472 5.479 30 40 EKEB Cc1ccccc1-c1nc2cc(/N=C/c3ccccc3O)ccc2o1 61745 BOAJBCSRDVUCFN-LPYMAVHISA-N 328.371 5.259 30 40 EKEB biogenic CCCCCCN(CCCCCC)C1=CC(=O)C(=O)c2ccccc21 1626473 QBXBFZZCMCHOPK-UHFFFAOYSA-N 341.495 5.256 30 40 EKEB N#Cc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 4031936 OWBBXXVGWXLSDP-WCWDXBQESA-N 326.359 5.226 30 40 EKEB C=C(Cl)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 5704356 ZZHFMJZXSSBIKS-UHFFFAOYSA-N 325.890 5.250 30 40 EKEB Cc1ccc(Sc2ccc(Sc3ccc(C)cc3)c(C#N)c2)cc1 7714366 IXJWHBOLMZFAEQ-UHFFFAOYSA-N 347.508 6.478 30 40 EKEB C=CCc1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccccc1 16138486 SMBGZMRLYVRASV-UHFFFAOYSA-N 347.461 6.811 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 219797612 IOZIISMGZXEMDS-UHFFFAOYSA-N 337.366 5.236 30 40 EKEB CCOc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1 409212046 PIYJXAVVRPFNTK-KQWNVCNZSA-N 331.415 5.415 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3ccccc3C)cc2Cl)cc1 409213327 SIUNTAKKCZARPR-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB O=C(c1ccc(Cl)s1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1Cl 6861806 CGTUJJRYSORRQM-OLZOCXBDSA-N 333.623 5.031 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl 8084335 AXIAAFDOAZMMLO-CIAFOILYSA-N 334.246 5.871 30 40 EKEB CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H]1CO1 28710853 LOGTZDQTPQYKEN-KKFOGOCZSA-N 336.516 5.742 30 40 EKEB in-vitro CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C)c(F)c2)cc1 44843220 SAOVZYUYMQBMQS-VAWYXSNFSA-N 327.399 5.122 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc2ncccc2c1 149918258 HWRHKAWCCZBQMK-AFUMVMLFSA-N 343.405 5.532 30 40 EKEB CCCCCCCCCCCCON1C(=O)c2ccccc2C1=O 1715694 YDISALCTJDVWPD-UHFFFAOYSA-N 331.456 5.135 30 40 EKEB c1ccc2c(c1)C(=Nn1c3ccccc3c3ccccc31)c1ccccc1-2 3897037 RTRDRDBYGBZOHP-UHFFFAOYSA-N 344.417 6.076 30 40 EKEB O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1c1ccccc1 15774286 KOFGKLPEEQNMBI-PTPABZONSA-N 346.411 5.088 30 40 EKEB N#CCSc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 33660022 SZSVJUKFLGTGLM-UHFFFAOYSA-N 348.258 5.007 30 40 EKEB Oc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409242669 SCLVJZYIFVOJSH-OYKKKHCWSA-N 344.389 5.285 30 40 EKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(N2CCCCC2)cc1 100933812 QBUOJSFDZHAFFV-MTJSOVHGSA-N 349.261 5.440 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(O)c2)c1C 408855637 FIIXRPLCZWQEAX-UCQKPKSFSA-N 332.447 5.421 30 40 EKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCCC 409110643 XKBFDLLJPMCHFC-UHFFFAOYSA-N 339.479 5.523 30 40 EKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C 409119728 STMWONJPCTYISO-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB CCCc1sc(N/N=C/c2ccccc2)nc1-c1cc(C)ccc1C 5952273 KKAYPSDPAOLBMK-HYARGMPZSA-N 349.503 5.825 30 40 EKEB CN1/C(=C\C(=O)c2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21 18193038 LKHDNTGUFQINBR-WQRHYEAKSA-N 346.257 5.488 30 40 EKEB C=CCOc1c(Cl)cc(CNCCCCCCCC)cc1OC 102560590 YVFJCRKNDPYYPO-UHFFFAOYSA-N 339.907 5.364 30 40 EKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 409053614 NPKFAKWHXBMCJV-SRZZPIQSSA-N 345.830 5.439 30 40 EKEB CCN1c2ccc(/C=N/Cc3ccc(F)cc3)cc2C(C)=CC1(C)C 494789 IPLMRWQDTHCQKO-BUVRLJJBSA-N 336.454 5.467 30 40 EKEB CCCCCCCCCCOc1ccc(C2=CC[C@H](C)CC2)cc1 3167999 LLRNSSXXDNHIFJ-FQEVSTJZSA-N 328.540 7.410 30 40 EKEB N#Cc1c(/N=C/C(Cl)=C\c2ccccc2)sc2c1CCCC2 3529672 QSDWXRMLZZVKDY-WEKHIVAVSA-N 326.852 5.481 30 40 EKEB FC(F)(F)C(F)(F)C(F)(F)c1[nH]nc(-c2ccccc2)c1Cl 4329288 OGKCAMSFEKHPOJ-UHFFFAOYSA-N 346.633 5.020 30 40 EKEB C(=N/Nc1ncnc2ccccc12)\c1c2ccccc2cc2ccccc12 11859688 YVWSJOKPMLZWBC-VULFUBBASA-N 348.409 5.382 30 40 EKEB CCCCCCCC[C@@H](c1ccc2cccnc2c1O)N(CC)CC 100921759 YPTOUOXVXBPDPR-FQEVSTJZSA-N 342.527 6.074 30 40 EKEB CCCCCCCCCCCCN(CCOCC)CCOCC 100923395 CGPRSHRKRQOBCU-UHFFFAOYSA-N 329.569 5.282 30 40 EKEB C=C(C)C1(O)[C@@H]2CC[C@@H]1c1c(Cl)c(Cl)c(Cl)c(Cl)c12 101049921 BSPYPTZTVZADKJ-RNFRBKRXSA-N 338.061 5.582 30 40 EKEB N#Cc1c(N=Cc2c(O)ccc3ccccc23)sc2c1CCCC2 253618442 PGNHOGXLZUATQT-UHFFFAOYSA-N 332.428 5.108 30 40 EKEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(C(C)(C)C)cc1 408967840 SJJBKAZUAJZQTN-IWIPYMOSSA-N 346.474 5.848 30 40 EKEB C[C@H]1CCC/C(=C/Nc2ccc(Oc3ccccc3Cl)cc2)C1=O 409183905 WFGPWSOWCSYZCZ-RHIYTYFCSA-N 341.838 5.817 30 40 EKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccccc2)c1 409202800 SILUVTMJNRDBDF-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB c1ccc(C2(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1 2564630 VGWMANKEPYEWNK-UHFFFAOYSA-N 348.445 5.904 30 40 EKEB Cc1ccc(/C(=N/C(=S)Nc2ccccc2)Nc2ccccc2)cc1 2666115 ICNTWZATJCHILS-UHFFFAOYSA-N 345.471 5.251 30 40 EKEB CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C 85534229 ODYPFMHOOQOHEF-UHFFFAOYSA-N 342.588 5.717 30 40 EKEB in-vitro C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O 4081360 DEFBNRDMYPYCCS-HRDRHIAYSA-N 332.572 6.673 30 40 EKEB biogenic O=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(Cl)cc1 4349966 CNCILJVOBAUBPS-JXMROGBWSA-N 328.198 5.438 30 40 EKEB C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 6673969 MNKCAFUTABSQHF-ZVBGSRNCSA-N 347.167 5.848 30 40 EKEB O=C(/C=C/Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 6927248 UESIGEZCOZMMKR-VOTSOKGWSA-N 343.757 5.243 30 40 EKEB Fc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409067936 RLSVBYZXIPRUJO-XKZIYDEJSA-N 341.838 6.381 30 40 EKEB COc1ccc2ccccc2c1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 296894 BXGVVXJBQDFOSS-RGVLZGJSSA-N 340.766 5.161 30 40 EKEB CC(C)(C)N[C@@H](C1=CC(C)(C)c2ccccc2C1=O)c1ccccc1 1754609 UAZPYFWXSMGWHR-HXUWFJFHSA-N 333.475 5.216 30 40 EKEB N#Cc1ccccc1CNc1ccc(Cl)cc1C(=O)c1ccccc1 16740308 AJYMAMXCVPLSKQ-UHFFFAOYSA-N 346.817 5.055 30 40 EKEB C=CCN1CCN=C1CCCCCCCCCCCCCCCCC 100307630 BYSYAGDOWULIKL-UHFFFAOYSA-N 348.619 7.148 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1cccc(C)c1C 102962752 RCDIUKGDWWXQSV-QURGRASLSA-N 334.488 5.560 30 40 EKEB CCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537606 YPQSKOKWTZYTCR-UHFFFAOYSA-N 334.222 5.052 30 40 EKEB C=CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 408736113 FQQMHBGBFFHAMO-LQWHRVPQSA-N 337.850 5.731 30 40 EKEB Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409091470 USBJQIADKLDMAY-LPYMAVHISA-N 341.838 6.381 30 40 EKEB CCn1c(C)cc(/C=N/c2ccc(Oc3cccc(OC)c3)cc2)c1C 409093789 BOPFTCYJRZBBIR-HZHRSRAPSA-N 348.446 5.676 30 40 EKEB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC/C1=N\c1ccccc1 1410383 JSTHYUVTWOOPAB-CJLVFECKSA-N 347.340 5.063 30 40 EKEB CCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 1865410 HGKOCAWXHSHSTA-UHFFFAOYSA-N 339.435 5.578 30 40 EKEB S[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 3893919 NHPGGMMMZYRZIW-SBHAEUEKSA-N 338.541 6.374 30 40 EKEB CC(=O)Nc1ccc(N[C@H]2CCCCCCCCCC/C2=N\O)cc1 5260786 WUQHZSFCJDEOPZ-YFJJEWJYSA-N 345.487 5.170 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 6247053 XBMVEEUHTALPMB-DTVDJLOLSA-N 338.470 5.998 30 40 EKEB CCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC 103638806 LIROAAHQIMWGKN-NLBZTSMMSA-N 340.548 5.948 30 40 EKEB in-vitro Cc1ccccc1/N=C\c1cccc(OCc2ccccc2Cl)c1 409203492 YGJULLVNEBDGGO-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB CC(C)(C)c1cc(/N=C/c2ccccc2O)c(O)c(C(C)(C)C)c1 296843 FYIGTRINSIJEDN-LPYMAVHISA-N 325.452 5.443 30 40 EKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3C)cs2)cc1 4957175 VMWIMQDMVFPLQW-XQNSMLJCSA-N 349.503 5.825 30 40 EKEB O=C(/C=C/Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 6927823 OIZOBMIMMKEGFC-CCEZHUSRSA-N 333.818 5.816 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1 6941582 XPUVOVNFGILCJJ-XDHOZWIPSA-N 332.241 5.297 30 40 EKEB CCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C 6963854 ATUJAQNDMFKRDW-YBFXNURJSA-N 332.241 5.215 30 40 EKEB CC/C(=N/N=C(\CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 17287858 QUCRXQATTOMCFW-QGFZOGOGSA-N 333.262 6.007 30 40 EKEB [N-]=[N+]=Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 33376676 CFDLRIACYKTAEY-UHFFFAOYSA-N 349.397 6.419 30 40 EKEB CCCCCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1 101472155 YWPRKJHQQKZOCH-UHFFFAOYSA-N 329.311 7.097 30 40 EKEB Cc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223548274 LRULLEVHGXBDFK-WORIPGKHSA-N 334.507 6.246 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)cc1C 408740836 NAEOUMIIRRMEHQ-IWIPYMOSSA-N 345.490 5.528 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1Cl 409010785 LHLCNUPQMGGIKJ-NSMHLIOHSA-N 329.871 6.391 30 40 EKEB CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2C1=O 69743 QESSROFUPARMCR-MOSHPQCFSA-N 332.424 5.568 30 40 EKEB Cc1cc(/N=C/c2ccc3ncccc3c2)ccc1Br 12599844 KGFFQBPXQGCPIX-RGVLZGJSSA-N 325.209 5.056 30 40 EKEB O=C(/C=C\c1c(F)cccc1Cl)c1ccc(Br)cc1 17299787 PMHCDJXDHLAVEC-HJWRWDBZSA-N 339.591 5.138 30 40 EKEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1 40448136 DIZPVCZVBKQRAE-ZZXKWVIFSA-N 345.147 5.908 30 40 EKEB CC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 113856773 MHKRQCWTOCBJBQ-NDENLUEZSA-N 346.407 5.479 30 40 EKEB Clc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 408733416 IVKBLKLDNWJIAU-YDZHTSKRSA-N 332.834 5.611 30 40 EKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1C 409213472 VVXBBHLBKRAOBP-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB COc1cccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1 409239975 PAQFZTBXDLTGRY-PXLXIMEGSA-N 333.456 5.905 30 40 EKEB O=C1/C(=C/c2ccccc2Cl)Oc2c(Cl)cc(Cl)cc21 481248 RKJPQXCIKCEOLZ-ACAGNQJTSA-N 325.578 5.263 30 40 EKEB CCCCCCc1ccc(C2COC(c3ccc(C#N)cc3)OC2)cc1 2572995 FRMQDHFGXIOTFJ-UHFFFAOYSA-N 349.474 5.510 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 5337642 VQXSMHYZGDMYIL-LPYMAVHISA-N 347.418 5.370 30 40 EKEB FC(F)(F)c1cccc(N/N=C/c2ccc(Cl)cc2Cl)c1 5600110 HECXCFGOQZFKCF-DNTJNYDQSA-N 333.140 5.458 30 40 EKEB CCCCc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 6890832 NEHHBDLIKZQPGE-LFVJCYFKSA-N 328.415 5.911 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 408619073 FXHGCANSAOKJGA-XNTDXEJSSA-N 345.442 5.389 30 40 EKEB Brc1ccc(/C=N/CC23CC4CC(CC(C4)C2)C3)cc1 5786412 QFINZPOGDOXUPN-RGVLZGJSSA-N 332.285 5.084 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(F)cc1 408772202 CNBUZQBRSQDYIT-FOKLQQMPSA-N 328.337 5.262 30 40 EKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCCC 409113209 HCEFFJKLYVRGJB-UHFFFAOYSA-N 339.479 5.387 30 40 EKEB C=CCOc1ccc(Br)cc1CNc1ccc(C)c(C)c1 409118798 RAQGIUVKKNMHKA-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB N#Cc1c(/N=C/c2cccc(C(F)(F)F)c2)sc2c1CCCC2 27806 YMELSMXYROQRIW-LSHDLFTRSA-N 334.366 5.268 30 40 EKEB Cc1cccc2c3c([nH]c12)/C(=N\N=C\c1ccccc1)CC(C)(C)S3 730718 RMUAZAKPAGKYJA-KXFZQYFNSA-N 347.487 5.574 30 40 EKEB CCCCCCCCc1nnc(NC(=O)CCc2ccccc2)s1 2056652 QRLCBWFKLVDYBN-UHFFFAOYSA-N 345.512 5.012 30 40 EKEB N#Cc1c2c(c(-c3cccc(C(F)(F)F)c3)[nH]c1=S)CCCC2 4576271 BECPHXGNOIBFML-UHFFFAOYSA-N 334.366 5.180 30 40 EKEB O=C(/C=C/c1ccccc1Cl)c1ccccc1OCc1ccccc1 5279098 AIHNBFJDLWNCER-CCEZHUSRSA-N 348.829 5.815 30 40 EKEB CCCCCCCC/C=C\CCCCCCC[C@H](O)CC(=O)O 142956558 SBPXXWBTOQUFGY-VJIACCKLSA-N 326.521 5.860 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccccc3)cc21 208246541 OQULYCYENRQZJZ-CYGNYLSHSA-N 341.886 5.508 30 40 EKEB COc1cc(C)c(/C=N/Nc2ccc3ccccc3n2)cc1C(C)C 408847369 UNCFOQIFIBOZMH-LPYMAVHISA-N 333.435 5.121 30 40 EKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1cccs1 409345761 NOOMOLQEXCPLGN-UJJFELKWSA-N 333.416 5.972 30 40 EKEB CCCCCCCCCC(=O)NC(=S)Nc1c(C)cccc1C 1753062 JZMZAHACVXWDFZ-UHFFFAOYSA-N 334.529 5.257 30 40 EKEB CC(=C=CC(C)(C)/C=N/c1cccc(C(F)(F)F)c1)CCC=C(C)C 3175712 ILNHUXVVGTYBJG-MFKUBSTISA-N 349.440 7.282 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/O 4023776 GKFSDTRKPOZJAE-SUERUKRBSA-N 345.571 7.142 30 40 EKEB biogenic N#Cc1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccccc1Cl 5647846 SVMILBGAWITQCM-UHFFFAOYSA-N 347.830 5.475 30 40 EKEB C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1cccc2ccccc12 6244078 AENVSBBTMGYHDY-OEAKJJBVSA-N 340.451 5.813 30 40 EKEB N#Cc1cccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c1 89866664 MCZYBIDPMWITDN-UHFFFAOYSA-N 340.813 6.094 30 40 EKEB Oc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 409023940 NXLUKLDNDPTBDT-ODLFYWEKSA-N 345.876 6.009 30 40 EKEB Cc1cccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c1C 409201922 OSNYCBXQOWAYHZ-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB C/C(=N/OC(=O)c1ccccc1C)c1ccc2c(c1)Cc1ccccc1-2 44790622 HRYGUUMDPYFCSH-JLPGSUDCSA-N 341.410 5.147 30 40 EKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408738101 NTJQWCBMKSKJSC-LPYMAVHISA-N 338.838 5.507 30 40 EKEB Cc1cccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)c1C 409203279 VFNDLHKBXCMVJR-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB CCN(CC)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)c(O)c1 136703 PJVTUIAGJDHTGW-RGVLZGJSSA-N 337.250 5.296 30 40 EKEB CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 2320877 CDKYACJXOAVVHP-UWJYYQICSA-N 347.458 5.851 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(C(C)C)c2)cc1 51318527 IKUYLTAVDONMKL-BUHFOSPRSA-N 337.463 5.797 30 40 EKEB CCCCCCCCCCCCCCCC(=O)Oc1ccc(O)cc1 59603950 ZMWJEKFRMJKWRE-UHFFFAOYSA-N 348.527 6.779 30 40 EKEB CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 97966124 XGOHLQCHAGLKHP-GPXNEJASSA-N 349.518 6.008 30 40 EKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc2ccccc2c1 109896600 WRLLKEIRJZSNCU-IWIPYMOSSA-N 332.422 5.638 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccccc3)c2C)cc1Cl 408586928 DCEGIRQOVUBLGK-LPYMAVHISA-N 337.854 5.502 30 40 EKEB CSc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1 273799 RUUIMBQDUMVZAP-PXLXIMEGSA-N 346.455 5.411 30 40 EKEB CCCCCCCCCCCCCCCC(=O)Nc1ccc(N)cc1 104959671 RBRNLGAQILEFKT-UHFFFAOYSA-N 346.559 6.689 30 40 EKEB CCCCCCOc1ccc(OCCCCCC)c(/C(C)=N/O)c1 5418178 XIUOJIKSYYAEDH-HEHNFIMWSA-N 335.488 5.803 30 40 EKEB C=CCOc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 8492466 OKBLPRUDHIBUPV-UHFFFAOYSA-N 327.449 5.004 30 40 EKEB Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1ccc(Cl)cc1 45951646 AOFCVTCLWQTDAW-YDZHTSKRSA-N 346.817 6.207 30 40 EKEB CCCCCCCCNCc1cc(Br)ccc1OCC 102561808 AOIYUKJMQTXJIV-UHFFFAOYSA-N 342.321 5.298 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1 222088173 VJRWMQBOSLHVJU-UHFFFAOYSA-N 343.442 5.817 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1 408762485 LBKMUZJYZRACOM-HZHRSRAPSA-N 332.447 5.416 30 40 EKEB Cc1cccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)c1C 409200154 HENSZDSKQXVCEZ-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 1695770 SQRBBVVZRKZEPF-ZEPKUMPTSA-N 340.507 5.130 30 40 EKEB biogenic CCOC(=O)c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 4281059 CJRYFTPVCPURLF-XQNSMLJCSA-N 329.399 5.281 30 40 EKEB O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1 4288281 OKNNLFRSPKBEKD-ZZXKWVIFSA-N 327.594 5.249 30 40 EKEB CCOc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 6712422 MGGFSMGSOHKTDF-MDZDMXLPSA-N 336.218 5.201 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccccc3)cs1)C2 96609292 LPZRONVVQPPYEV-FNTYCPMISA-N 325.481 5.424 30 40 EKEB CCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 100003729 YVEDSNAPDAXLDD-UEDWGHLCSA-N 347.458 5.737 30 40 EKEB CCCCCCCCCCCCCCCc1cc(O)ccc1N=O 104251970 AGUUICCLWAPXEB-UHFFFAOYSA-N 333.516 7.424 30 40 EKEB CCn1c2ccccc2c2cc(C=NN(C)c3ccccc3)ccc21 299888628 QYXUHIZLHNDFJT-UHFFFAOYSA-N 327.431 5.285 30 40 EKEB O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 68418 YKPVOKDNUDAZRA-BQYQJAHWSA-N 349.839 5.578 30 40 EKEB Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Cl 235227 XIYZMGRXFIZASH-UHFFFAOYSA-N 348.785 5.371 30 40 EKEB O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ccc(Cl)c(Cl)c1 3228445 KWRAHOINHDVONI-OBQYLLBLSA-N 336.178 5.013 30 40 EKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2Cl)n1 8991138 QWIFBMHPARYUST-UHFFFAOYSA-N 342.773 5.226 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2C)cc1C 44844204 SGFUQZZEUPHUAI-CMDGGOBGSA-N 344.252 5.183 30 40 EKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 59426892 AKGPVYUHFOIOAG-ZVHZXABRSA-N 344.458 5.664 30 40 EKEB CCCCCCCCOc1ccc(NC(=O)c2ccc(C)cc2)cc1 68568952 GKTCSCGXWKAHHX-UHFFFAOYSA-N 339.479 5.987 30 40 EKEB CC(C)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 409059593 QXXCJUKQJWJLAB-MDZDMXLPSA-N 334.246 5.925 30 40 EKEB CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 2072232 WIQPCWIWXNWMDX-UHFFFAOYSA-N 332.513 5.578 30 40 EKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)O 4081361 DEFBNRDMYPYCCS-IRFMZCNHSA-N 332.572 6.673 30 40 EKEB biogenic C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OCC 6959785 ZUYRNWQBBXOHCE-FYJGNVAPSA-N 329.827 5.363 30 40 EKEB Cc1ccc(-c2cnc(SCC#N)n2-c2ccc(Cl)cc2)cc1 44087550 YCTZFJNTACEETM-UHFFFAOYSA-N 339.851 5.117 30 40 EKEB N#Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 98071654 XUFKMNGEUDCIIV-UHFFFAOYSA-N 330.334 5.368 30 40 EKEB CCOc1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 100247997 IMQRFOARHQPLAC-BUVRLJJBSA-N 346.474 5.860 30 40 EKEB CCCCCCCCCc1noc(-c2ccc(OC)c(OC)c2)n1 100570268 WCLJQSJCLDCGTJ-UHFFFAOYSA-N 332.444 5.047 30 40 EKEB CC(C)c1ccccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 165554173 UTWUJFJHEKIOLP-XQNSMLJCSA-N 331.463 5.417 30 40 EKEB Cc1ccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)cc1 409096037 JKVJJBQLGDZUGS-FYJGNVAPSA-N 348.358 5.152 30 40 EKEB CCCCCCCCOc1ccc(/C=N/c2ccccc2O)cc1 2250669 LKRSQJHSXYGVCN-OQKWZONESA-N 325.452 5.882 30 40 EKEB CC(C)(C)C(C#CCN1CCCC1)(c1ccccc1)c1ccccc1 2287587 QSUWRZNQZUZONQ-UHFFFAOYSA-N 331.503 5.118 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3cccc(Cl)c3C)ccc21 2891382 WSZYQJULADADCC-ZVHZXABRSA-N 346.861 6.527 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 4738894 YUTMQGUESPMDSC-OEAKJJBVSA-N 346.430 5.105 30 40 EKEB CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 4903831 NCNFFIJRQVHQLT-UHFFFAOYSA-N 336.847 5.663 30 40 EKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 6313489 NPGQJNWJBGNBIA-WOJGMQOQSA-N 340.466 6.547 30 40 EKEB Cc1ccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 35289030 NDSKVZYCJWTKKI-UHFFFAOYSA-N 346.455 5.007 30 40 EKEB C(=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1ccccc1 51329939 NWZGIPNDEIKVTR-XQNSMLJCSA-N 340.451 6.228 30 40 EKEB CCCCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1 2389397 QKEBUASRTJNJJS-UHFFFAOYSA-N 331.503 7.079 30 40 EKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2Cl)cc1 3882459 QJCSIRGIDBQVKK-UHFFFAOYSA-N 345.833 5.220 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 8085119 YMLKTZUYAFNYHF-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB O/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 11799853 NTFCXGPQUDMJPU-UFFVCSGVSA-N 346.213 5.534 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(Br)cc2)cc1 51318681 KQHXZBQYMQQODD-VAWYXSNFSA-N 344.252 5.381 30 40 EKEB COc1ccc(/C=N/c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 354629 AFOXSLGUBQQGQY-HZHRSRAPSA-N 344.414 5.007 30 40 EKEB C=C1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 3849887 USISGGVIAQLXQF-NWDASVTGSA-N 330.512 5.517 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 102419322 OGQHXRAZYSNAII-WSDLNYQXSA-N 348.789 5.604 30 40 EKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)cc1 198102551 VGGZYDKXSKBZOP-LEBHPONQSA-N 348.534 6.420 30 40 EKEB Cc1cc2c(cc1/C=N/Nc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223587556 CHLYSQPIAVPHBY-WORIPGKHSA-N 349.522 5.942 30 40 EKEB COc1cccc2c(/C=N/c3cccc(C)c3)c(-c3ccccc3)[nH]c12 408829887 QZOJXRBUWDBPSF-BUVRLJJBSA-N 340.426 5.903 30 40 EKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCCC 409118850 UXAAFRKKBDHANT-UHFFFAOYSA-N 325.452 5.133 30 40 EKEB CC(C)(C)C1=CC(N2CCCCC2)(C(C)(C)C)C=C(C(C)(C)C)C1=O 1579535 DSXMQJGMZCPDOM-UHFFFAOYSA-N 345.571 5.785 30 40 EKEB CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1 2557057 YNBBQLUKHHSKPW-UHFFFAOYSA-N 326.436 5.791 30 40 EKEB CCCCCCCCc1nnc(NC(=O)Nc2cccc(C)c2)s1 100538978 BVZORRJJGHBYTQ-UHFFFAOYSA-N 346.500 5.394 30 40 EKEB C[C@H]1/C(=N\O)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 100839900 IXJNSRRYDLWBGA-YSDHXNOBSA-N 349.261 5.235 30 40 EKEB CCCCCCCCCCCCCCCCCCSC(=N)N 104040845 IQYGWEPIBFAIEX-UHFFFAOYSA-N 328.610 6.875 30 40 EKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2c3c(cccc13)CC2 3096870 RFHDAEUBQFWGAY-MWSICOENSA-N 328.371 5.262 30 40 EKEB CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 4118381 UPALWHXSONULHH-KPKJPENVSA-N 342.822 5.188 30 40 EKEB O=[N+]([O-])c1cc(/C=N\c2ccccc2)ccc1/C=N/c1ccccc1 4266068 ZXILABFIDMTWOK-BILXGNRESA-N 329.359 5.096 30 40 EKEB O=C1/C(=C\c2ccco2)S/C(=N/c2ccccc2)N1c1ccccc1 4899132 KOFGKLPEEQNMBI-SXFBWKAHSA-N 346.411 5.088 30 40 EKEB CCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 5459641 HLJIHNNLYULABJ-CYBMUJFWSA-N 332.513 5.290 30 40 EKEB CC(C)(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 6515550 UZLCCQHZFKLQSL-IZZDOVSWSA-N 333.258 6.187 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C2 100006279 REBJMFRQDKSDHF-TZICJZKASA-N 340.250 5.352 30 40 EKEB CCCCCCCCOc1ccc(NC(=O)c2coc(C)c2)cc1 100288872 BRLXRWPAJBBLNO-UHFFFAOYSA-N 329.440 5.580 30 40 EKEB Clc1ccc(C/N=C/c2nc(-c3ccccc3)[nH]c2Cl)cc1 100390351 JCRIBCJXHOOKTO-RGVLZGJSSA-N 330.218 5.003 30 40 EKEB C=CCn1c(C)c(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 409097529 OBLWEFXMGMCPJS-MOSHPQCFSA-N 346.455 5.221 30 40 EKEB N#Cc1c(/N=C/c2cccc(Cl)c2Cl)sc2c1CCCC2 1878066 ZVBGHRBWGMEPDJ-AWQFTUOYSA-N 335.259 5.556 30 40 EKEB CCCCCCN(C(=O)Oc1ccccc1)[C@@H](C#N)c1ccccc1 5782605 RMPDARWUDHEONV-FQEVSTJZSA-N 336.435 5.333 30 40 EKEB CC(C)(C)c1nn(-c2ccccc2)c(N=[N+]=[N-])c1/C=N/c1ccccc1 13402214 MZZWMXIDHNUHCV-HYARGMPZSA-N 344.422 5.862 30 40 EKEB N#Cc1ccsc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1 17344573 LBVDPQXVAQUWJW-VQHVLOKHSA-N 336.441 5.000 30 40 EKEB CCCCCCCc1ccc(NC(=O)c2ccc(OC)cc2)cc1 59662052 RYTUTYOTJBHTTP-UHFFFAOYSA-N 325.452 5.460 30 40 EKEB N#Cc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 89851112 YXFPCFBEABVGLM-UHFFFAOYSA-N 340.813 6.094 30 40 EKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(F)cc1 408771936 JEHPBVBBZZPBMQ-ZVHZXABRSA-N 334.438 6.107 30 40 EKEB CC(C)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 408910813 LIMMNZJUNVMPDT-VJZPTHRXSA-N 348.471 5.255 30 40 EKEB Cc1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409081116 JSBZRNXQUVRMOS-MYYYXRDXSA-N 345.486 5.919 30 40 EKEB Cc1cccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)c1C 409200791 IZGVVBOZQFOOSY-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB CC1=C(Sc2ccc3ccccc3c2)C(=O)c2ccccc2C1=O 344030 VJNUKEXIWYTSIY-UHFFFAOYSA-N 330.408 5.285 30 40 EKEB O/N=C(\c1ccccc1)[C@H](c1ccccc1)C(Cl)(Cl)Cl 17721404 PUGNACWPMRGYOZ-AZDDOORDSA-N 328.626 5.019 30 40 EKEB CC(C)[C@H]1CC[C@@H](C)/C(=C/C=C2/C(=O)[C@@H](C(C)C)CC[C@@H]2C)C1=O 100365518 CDLMGTMYJCSWTE-GOXUKWFFSA-N 330.512 5.382 30 40 EKEB F/C(=C/CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575330340 IGVITSLVCFQODG-HNQUOIGGSA-N 346.086 5.260 30 40 EKEB CCCCCCCCOc1ccc(/C=C\C(=O)N(CC)CC)cc1 8385823 WZIWGOJLFJQNKS-VKAVYKQESA-N 331.500 5.308 30 40 EKEB Clc1ccc2c(NN=C3C4CC5CC(C4)CC3C5)ccnc2c1 13011392 JUWNYGCZTQONBR-UHFFFAOYSA-N 325.843 5.112 30 40 EKEB CCCCCCCCCCSCC(=O)Nc1ccc(Cl)cc1 101991571 BASLIOONIQBVCI-UHFFFAOYSA-N 341.948 6.152 30 40 EKEB CCCCCCCC#C[C@]1([C@H](O)CC)Sc2ccccc2N1C 104267660 UDWLASNAODJLGE-WOJBJXKFSA-N 331.525 5.060 30 40 EKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccccc1Oc1ccccc1 409355528 DFYVJYLLYIWZLI-CCEZHUSRSA-N 333.387 5.579 30 40 EKEB Clc1ccccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 242213 AYGKOOZKJDFFSQ-LPYMAVHISA-N 332.790 5.899 30 40 EKEB CCCCCCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1 2132365 VUPRNMRWZLBKGX-UHFFFAOYSA-N 326.440 5.353 30 40 EKEB biogenic CCCCC/C(=N/c1sc2c(c1C#N)CCCC2)c1ccccc1 4844085 CPVDURPMVSVATN-NMWGTECJSA-N 336.504 6.200 30 40 EKEB COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OC 6339354 QBSGVRMDMXPMIE-FOCLMDBBSA-N 344.410 5.267 30 40 EKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 8570905 MQAFSYUVAFWVKC-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Clc1ccccc1COc1cccc(/C=N/Nc2ccccc2)c1 58822585 IWDNOYRITKZXLA-HYARGMPZSA-N 336.822 5.365 30 40 EKEB CCCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 100013476 ARKLNIGSVSKJFK-UHFFFAOYSA-N 340.467 5.179 30 40 EKEB CC(C)c1cc(C(C)C)c(B2OC(C)(C)C(C)(C)O2)c(C(C)C)c1 198611680 MIZNWWIGQOSNKU-UHFFFAOYSA-N 330.321 5.356 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c1C 408915509 WOZLRDILNVCVNL-FSJBWODESA-N 346.430 5.190 30 40 EKEB COc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1Cl 409022262 LOMBLKCTHJXDRX-WSDLNYQXSA-N 336.778 5.231 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccccc1 409080762 ODAZJTCGFFTQCF-BUVRLJJBSA-N 331.459 5.611 30 40 EKEB Cc1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(C#N)cc2c1 373779 BOAKDIULIZHPLL-UHFFFAOYSA-N 327.309 5.177 30 40 EKEB Cc1ccc(/N=N/c2cc(C)ccc2/N=C/c2cccc(Cl)c2)cc1 4979755 SCWLHQZCCJQMCC-NSXTUZQOSA-N 347.849 7.123 30 40 EKEB CC/C(=N\Nc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 5853082 DTWVVWQQJOVTJM-FYJGNVAPSA-N 347.390 5.124 30 40 EKEB Clc1ccc(C(/C=C\Nc2ccccc2)=N\c2ccccc2)cc1 13466804 TWVMXPVGCXFORD-YYRRSDCCSA-N 332.834 6.087 30 40 EKEB CCc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 59104561 FVZHNUPAXYXGMU-LPYMAVHISA-N 333.387 5.266 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)cc1 408765610 WRLYXTKHRYCAQB-UCQKPKSFSA-N 336.866 6.061 30 40 EKEB O=C(/C=C/c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360269 AIPJGAHUXRCEOC-VOTSOKGWSA-N 344.254 5.620 30 40 EKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccccc1 4309467 WKSSFICFIJWVKB-HSZRJFAPSA-N 325.411 5.513 30 40 EKEB CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O 32788451 KJDZDTDNIULJBE-QXMHVHEDSA-N 338.576 7.669 30 40 EKEB endogenous,in-man CCCCCCCCCCCCCC/C=C\[C@@H](CC(=O)O)C(=O)O 100305519 AAHZZGHPCKJNNZ-ZPWFJYARSA-N 340.504 5.809 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\c3ccccc3O)cc21 223520460 XFZGKWPNMXUQEM-OYKKKHCWSA-N 348.490 5.862 30 40 EKEB Cc1[nH]c2ccccc2c1/C(=C/C(=O)c1ccccc1)c1ccccc1 4982864 UQFHORIGEDYRLV-LTGZKZEYSA-N 337.422 5.791 30 40 EKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)c(C)c1 8368604 GYCLPRQJTUPSSK-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCCCCNC(=O)C1C(c2ccccc2)=C1c1ccccc1 2294664 QUYPLZYBXWVBRB-UHFFFAOYSA-N 347.502 5.704 30 40 EKEB O=C1/C(=C\C=C/c2ccccc2)CCCC/C1=C\C=C/c1ccccc1 17380134 ONORUXCYOUKTBD-QFYODHCZSA-N 340.466 6.409 30 40 EKEB CN(C)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 100253326 REQVFUCLQYEIKI-BUVRLJJBSA-N 341.458 5.023 30 40 EKEB O/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 110425392 CFRAKHMKYRWUSO-WSVATBPTSA-N 330.598 5.034 30 40 EKEB Cc1ccsc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 179865 WOCGAFVZZPJWGL-GOSISDBHSA-N 338.476 5.278 30 40 EKEB CCCCCCCCC(=O)Nc1ccc(Br)cc1F 2086285 INCNPMXGOBUKKE-UHFFFAOYSA-N 330.241 5.277 30 40 EKEB CN(/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 4147467 WYBPGDJDYJFRRK-HZHRSRAPSA-N 338.495 5.458 30 40 EKEB CCOc1cccc(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 408760686 DBZBANVKLHWSAE-HAHDFKILSA-N 332.447 5.552 30 40 EKEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 408959643 CLBSANFHLMGXEY-MTJSOVHGSA-N 333.262 5.653 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(F)c(C)c3)cc2)cc1 409242354 REOAMLYPKIJXOK-OEAKJJBVSA-N 335.447 6.344 30 40 EKEB CCCCCCCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 1669480 DCPWNRCJDQHBEH-VXKWHMMOSA-N 325.496 5.411 30 40 EKEB CCCCCCCC[C@@]1(CCC)NC(=S)N(c2ccccc2)N1 2310580 SVFWQBVHZNPQQO-IBGZPJMESA-N 333.545 5.133 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccc2ccccc12 4587845 JUFIJEPROUYJLV-PKNBQFBNSA-N 327.210 6.043 30 40 EKEB biogenic,in-vitro C/C(Cc1ccccc1)=N\Nc1nc(-c2ccc(Cl)cc2)cs1 9925845 QQHKEAQKXFYORE-FYJGNVAPSA-N 341.867 5.494 30 40 EKEB CCCCCCCCCCCN(C)CCCCCCCCCCC 60111745 ISZWDCITQRHAEG-UHFFFAOYSA-N 339.652 7.980 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OC 409137875 ZFVUWEYVFOVVDW-UHFFFAOYSA-N 331.843 5.142 30 40 EKEB COc1ccccc1Nc1ccc(/N=C/c2ccc(F)c(F)c2)cc1 3230933 ZMZIFCMRXYTPPE-YDZHTSKRSA-N 338.357 5.468 30 40 EKEB C/C(=N/Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(Cl)cc1 4474622 WEDPZNVBMHUUOZ-BKUYFWCQSA-N 341.867 5.608 30 40 EKEB C=CCOc1ccc(/C=N/c2ccccc2C)cc1Br 8570862 OXGJPNVTORDTSA-XDHOZWIPSA-N 330.225 5.073 30 40 EKEB COc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1Cl 408737427 AFUKPFNKHIIGOU-LPYMAVHISA-N 338.838 5.507 30 40 EKEB Cc1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1Cl 409012353 JHTQKMHUCYNXMX-WSDLNYQXSA-N 343.257 6.152 30 40 EKEB C=CCOc1ccc(-c2nc3ccccc3s2)cc1Br 409192913 FYYNTOQPJHWRCS-UHFFFAOYSA-N 346.249 5.291 30 40 EKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1C 61683 HIOWBALUHLWKEB-HZHRSRAPSA-N 329.399 5.273 30 40 EKEB CCOc1cc(N(CC)CC)ccc1/C=N/c1cc(Cl)ccc1O 5311736 SNVCXIIRPDZWCT-FYJGNVAPSA-N 346.858 5.041 30 40 EKEB FC(F)(F)c1ccc(/C=N/N=C2/Nc3cccc4cccc2c34)cc1 6438303 ZNJCPVNFWYUJOS-FOKLQQMPSA-N 339.320 5.065 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OCC 6880713 NMIZQBQUVPCBDX-LPYMAVHISA-N 345.870 5.895 30 40 EKEB CCCCCCCCCC1CCC(c2ccc(C(C)=O)cc2)CC1 8397997 QRMQGUYQXLKOJE-UHFFFAOYSA-N 328.540 7.304 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)cc1 408764038 VROYFTCPOVSZTA-HZHRSRAPSA-N 332.447 5.416 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C 409122017 WMFYQHNHRCDKRP-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB Fc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1 408948715 DHTDOFXKZBHCMF-DJKKODMXSA-N 331.803 5.049 30 40 EKEB O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 173999 YWDKNAHKICNOQR-CMDGGOBGSA-N 343.662 6.136 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2SC)c1 3214764 KHZCKBFAKMZBNC-UHFFFAOYSA-N 340.492 5.498 30 40 EKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2cccc3ccccc23)S1 5551485 QGYRZNHGFXZYLI-CPNJWEJPSA-N 344.439 5.040 30 40 EKEB Cc1ccccc1N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 5620282 JXKOAHKHNXBGST-SRZZPIQSSA-N 345.229 6.008 30 40 EKEB CCNc1ccc(/N=N/c2ccc(-c3ccc(C#N)cc3)cc2)cc1 23467680 WSWCWQDZXLMYIQ-OCOZRVBESA-N 326.403 6.072 30 40 EKEB CCCCCCCCC[C@H](CCCCCCCC(=O)O)NC(C)=O 100300760 NLAPEXVETAZGOQ-LJQANCHMSA-N 341.536 5.447 30 40 EKEB CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(C)cc1)c1ccccc1-2 102914391 VKKKAOFQQMTMJT-GYHWCHFESA-N 326.399 5.103 30 40 EKEB CCCCCCCCOCCNC(=O)c1ccc(F)c2ccccc12 3096357 RCDNAZAZJAQGPI-UHFFFAOYSA-N 345.458 5.086 30 40 EKEB CCCCCCCCCCCCCC[C@H](C(=O)O)[n+]1ccccc1 73372727 JCMOEFKIKXJILZ-HXUWFJFHSA-O 334.524 5.691 30 40 EKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)cc1 100212180 YEIFSHAOYIBFJH-HZHRSRAPSA-N 346.430 5.021 30 40 EKEB O=C(c1c(Cl)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575360970 WWPUDAHJACEINR-UHFFFAOYSA-N 343.025 5.009 30 40 EKEB Clc1ccccc1N/N=C/C(Br)=C/c1ccccc1 3225704 HCEQQSYFHBDCPW-CGZFJWOTSA-N 335.632 5.174 30 40 EKEB Cc1cc(C)c(/C=C/C(=O)c2ccc(Br)cc2)c(C)c1 5276974 IUDIYKYYTIXWHA-CMDGGOBGSA-N 329.237 5.270 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@@H](C)O 15955910 DEFBNRDMYPYCCS-GWJVEHALSA-N 332.572 6.673 30 40 EKEB FC(F)(F)c1cc(C(F)(F)F)cc(C(F)(F)c2ccccc2)c1 100975081 MYJHPWRDPBQEMC-UHFFFAOYSA-N 340.213 5.864 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2C)cc1 408588501 WPDZAYDQOIZVJM-UHFFFAOYSA-N 339.479 5.987 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3)cc2Cl)cc1 409202293 QVQAKGMLCHDBAD-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB N#Cc1nc(-c2cccc3ccccc23)oc1NCCc1ccccc1 544380 DMZHUZQJEJSATH-UHFFFAOYSA-N 339.398 5.021 30 40 EKEB CC(/C=N/Nc1nc2ccccc2s1)=C\c1ccc(C(C)C)cc1 5413341 WZDJLAPCPCLJID-XLLHXKPXSA-N 335.476 5.921 30 40 EKEB C/C=C\C=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 17142746 SRXVDPUCEILPPO-NIMACUJUSA-N 343.495 6.274 30 40 EKEB COc1ccc(-c2nc(C#N)c(Sc3ccc(Cl)cc3)o2)cc1 28405568 ZOGSTGXOFJIORU-UHFFFAOYSA-N 342.807 5.026 30 40 EKEB CCCCCCCCCCCCNC(=O)Nc1cccc(OC)c1 104156624 FPQPRDLWZHZDLK-UHFFFAOYSA-N 334.504 5.738 30 40 EKEB N#Cc1ccccc1CO/N=C/c1c2ccccc2cc2ccccc12 408595560 XIKNWIKAHYVSEO-MFKUBSTISA-N 336.394 5.415 30 40 EKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 409089053 MSROIGMWULQHMS-GIJQJNRQSA-N 339.178 5.051 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccccc1Cl 584905950 FQVGRDZONROWFR-UHFFFAOYSA-N 340.879 5.597 30 40 EKEB COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2C)cc1 4670368 HNZDBOQCYDQVMN-RGVLZGJSSA-N 342.851 5.531 30 40 EKEB Cc1ccc(-c2csc(N/N=C3\C=C(O)CC(C)(C)C3)n2)cc1 8507717 UDWDKPCYIKXHJM-XSFVSMFZSA-N 327.453 5.148 30 40 EKEB COc1ccc(/C=N/c2ccccc2/N=C/c2ccc(OC)cc2)cc1 16215982 SVSRDHJKVMHAOQ-DFEHQXHXSA-N 344.414 5.205 30 40 EKEB CCCCCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 105345564 ZBYMHJZEPXZRSS-UHFFFAOYSA-N 349.902 6.059 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 409229063 JFIBUJJDIOHNRL-HMAPJEAMSA-N 337.875 6.550 30 40 EKEB N#Cc1c(-c2cccs2)cc(-c2ccc3ccccc3c2)[nH]c1=S 46105 YPZOKOXUTIQMBL-UHFFFAOYSA-N 344.464 6.165 30 40 EKEB CN(C)/C=N/c1nc(-c2c3ccccc3cc3ccccc23)cs1 4746585 PYOVDFIKAZDYOR-FYJGNVAPSA-N 331.444 5.338 30 40 EKEB C=CCn1c(C)cc(C(=O)c2oc3c(ccc4ccccc43)c2C)c1C 8315875 HYUOWIHRYNEVIC-UHFFFAOYSA-N 343.426 5.730 30 40 EKEB FC(F)(F)c1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1 18007457 DEORVBYUDUTIJH-ZVHZXABRSA-N 341.332 6.248 30 40 EKEB CCCCCCCCN(CCCCCCCC)C(=O)CC(C)C 104345803 AJSRFJXCTMYLGZ-UHFFFAOYSA-N 325.581 6.582 30 40 EKEB Nc1c(Cl)cc(/N=C/c2ccc(Cl)cc2Cl)cc1Cl 50463 WHSAHIVMOXDAPU-KPSZGOFPSA-N 334.033 5.633 30 40 EKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(Cl)c1 12653247 GXYKMHNLPDAWQE-ZZEZOPTASA-N 326.852 5.288 30 40 EKEB Brc1cccc(N=C(c2ccccc2)c2ccccc2)c1 140522727 PSMJOXYIIMQESA-UHFFFAOYSA-N 336.232 5.618 30 40 EKEB C=CC/C(C#C[Si](C)(C)C)=C(\C#CC1=CCCCC1)[Si](C)(C)C 196150474 OCEUDUYEHANTGL-MRCUWXFGSA-N 340.659 6.121 30 40 EKEB C=CCOc1ccc(CNc2ccc(C)cc2C)cc1Br 409112923 CRAQHAWERWXMBB-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB Oc1ccc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 503530 RKSOWVJUHDVBCS-SRZZPIQSSA-N 325.795 5.421 30 40 EKEB CC12CC3(C)CC(C)(C1)CC(C/N=C/c1ccc([N+](=O)[O-])cc1)(C2)C3 3898728 WEUVFEFYVYTZHI-GZIVZEMBSA-N 340.467 5.400 30 40 EKEB Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N\C1CCCCC1 15989467 YFJHKTJYZYSPQI-GYHWCHFESA-N 326.443 5.694 30 40 EKEB CC/C(=C\C(=O)c1ccc(OC)cc1)Nc1ccc2ccccc2c1 59489058 LVSQJWHGJZTCRY-XDJHFCHBSA-N 331.415 5.437 30 40 EKEB O=C(/C=C\c1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 95930970 LYNJGZMPOZPNNL-QBFSEMIESA-N 348.829 5.815 30 40 EKEB COc1cccc(/N=C/c2ccc(/C=N/c3cccc(OC)c3)cc2)c1 102312104 WILUYCCJGCJLNY-DFEHQXHXSA-N 344.414 5.205 30 40 EKEB C(=C\c1ccccc1)\C=N/CCCCCC/N=C\C=C/c1ccccc1 103615048 ATPFMBHTMKBVLS-GPYGIZTFSA-N 344.502 6.115 30 40 EKEB CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2C(C)=CC1(C)C 198160158 ONDOWLHMJPKSKE-PCLIKHOPSA-N 346.518 6.582 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)c1 408757021 VTCYCLVFIDXAAC-FSJBWODESA-N 340.829 5.946 30 40 EKEB Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 382257 HEUJYGCUUNXRRE-UHFFFAOYSA-N 348.785 5.371 30 40 EKEB CCc1c(C)sc(NC(=O)c2c(Cl)cccc2Cl)c1C#N 2747423 KNKDRJXSIAXNBH-UHFFFAOYSA-N 339.247 5.050 30 40 EKEB CCCCCCCCCCCCCCCC[N+](CC)(CC)CC 36177037 ADBMSVFHVFJBFR-UHFFFAOYSA-N 326.633 7.344 30 40 EKEB CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 100003274 OYZITXKNUGHHKV-MOBUCQHHSA-N 333.431 5.347 30 40 EKEB CCCCCCCCCCCCOc1ccccc1-c1nnco1 100933991 KKXZWZAEYNTTCW-UHFFFAOYSA-N 330.472 6.036 30 40 EKEB CCCCCCCCCCCC(=O)Nc1sc(C)c(C)c1C#N 103000231 LTAUPCZKYLBGOX-UHFFFAOYSA-N 334.529 6.096 30 40 EKEB CC(C)Oc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N 3133807 MKKPTLAISIKLDF-UHFFFAOYSA-N 349.821 5.123 30 40 EKEB CCC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(OC)c2O)c1 3136602 AIWPQNYPGXUEQO-KIHMUJGBSA-N 347.842 5.414 30 40 EKEB [O-][N+](=Cc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 1083147411 YQZSSYKOFSIZQK-UHFFFAOYSA-N 335.017 5.561 30 40 EKEB Oc1ccccc1/C=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 2801600 ZNWDFQWYLRNDNJ-OEAKJJBVSA-N 340.382 5.465 30 40 EKEB C=CCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 4725779 AQWXYCOZTBNAGB-UHFFFAOYSA-N 330.497 5.354 30 40 EKEB O=C1/C(=C\c2cc(F)ccc2F)[C@H](c2ccccc2)c2ccccc21 5279746 YHCOALRWQXAFKV-CNSVBDKNSA-N 332.349 5.377 30 40 EKEB Cc1cc(C)c(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 6566170 YHTQVBCWFQBISZ-LSFURLLWSA-N 340.776 5.730 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OC 409121021 VGEFXOUOGHSLLS-UHFFFAOYSA-N 331.843 5.088 30 40 EKEB CCCCCCCCCCc1ccc2c(c1)C[C@H]1c3ccccc3C[C@H]21 1697638 RUOURQNTWBHAPC-FTJBHMTQSA-N 346.558 7.349 30 40 EKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cccs1 3235368 RXGCSQOSNMLGOU-UHFFFAOYSA-N 339.485 5.374 30 40 EKEB O=C(C1CCCC1)N1/C(=N/c2ccccc2)SCc2ccccc21 6837158 UCPDMKBKSXELFK-MRCUWXFGSA-N 336.460 5.144 30 40 EKEB CCCCCCCCCCCCSC(=O)C(Cl)(Cl)Cl 104360771 IJNAGZDQPXMIEY-UHFFFAOYSA-N 347.779 6.537 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)cc1 219815670 BKWBSAUAJNEEOS-GOSISDBHSA-N 325.477 5.154 30 40 EKEB CCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330333 WMAVUBFAZVFVCS-PLNGDYQASA-N 338.160 5.446 30 40 EKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 4747130 HXCUOMWEFYLIDI-QKKBWIMNSA-N 335.472 5.507 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(OC)cc3)cc2C(C)=CC1(C)C 223472136 ZVYIPDCHHPDBAR-HAHDFKILSA-N 334.463 5.468 30 40 EKEB CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 59973919 CPLYLXYEVLGWFJ-LJQANCHMSA-N 328.537 6.084 30 40 EKEB in-vitro CCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC 100923466 IVYTWWIUSUFXKE-UHFFFAOYSA-N 328.561 5.327 30 40 EKEB Oc1c(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)ccc2ccccc12 4670579 PPQOKQGJKDEZAY-AUEPDCJTSA-N 349.739 5.968 30 40 EKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1O 100248078 GYQCDHCWBUUUEF-ZVBGSRNCSA-N 343.732 5.214 30 40 EKEB N#C[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1872814 RONHPHPSMUFWPP-VXKWHMMOSA-N 325.411 5.351 30 40 EKEB CCCOc1ccc(C/N=C(/S)Nc2ccccc2)cc1Cl 2315269 PMZYELKWWVNYCK-UHFFFAOYSA-N 334.872 5.027 30 40 EKEB Cc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 6047865 NNFQQLRLRQSGKD-BQYQJAHWSA-N 336.174 5.106 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(F)F)cc1 6048650 OWULHMZABRVATG-XBXARRHUSA-N 343.156 5.491 30 40 EKEB CCCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br 6941744 GAFKFZFUFJDNBM-UDWIEESQSA-N 346.268 5.605 30 40 EKEB CCOc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 6962627 NTLXOTRBXLTSIT-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB CCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663859 OZMKBHSNAUDVKU-CJLVFECKSA-N 339.435 5.485 30 40 EKEB Oc1c(/C=N\c2ccc(Oc3ccccc3)cc2)ccc2ccccc12 100248490 FBDYQLDIFTXMEX-JLPGSUDCSA-N 339.394 6.088 30 40 EKEB CCCCCCCC[C@](CCN(CC)CC)(C(=O)O)c1ccccc1 100298348 KNPZROANQBBEIJ-JOCHJYFZSA-N 347.543 5.492 30 40 EKEB CCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530572 ZIUWQGYFMUPSFC-CMDGGOBGSA-N 344.261 6.371 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@H](C)CC1(C)C 260569755 RSHWDLUDWNSPAB-GIKSKMNSSA-N 349.522 5.615 30 40 EKEB CC(C)(C)c1ccc(O)c(/N=C/c2ccc(Br)cc2)c1 295937 GMXGGMKGLJQQLY-YBFXNURJSA-N 332.241 5.203 30 40 EKEB COc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 3898577 JCTILXXPVIHINY-QGMBQPNBSA-N 329.614 5.101 30 40 EKEB CC(C)(C)[C@@H]1CCc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1 4655604 SZJCKCCZTLSGAX-LLVKDONJSA-N 328.506 5.495 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)cnc1SCc1ccc(F)cc1 44085735 FZTMOJLXPITAHJ-UHFFFAOYSA-N 338.451 5.476 30 40 EKEB C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)Cc1ccccc1O 95410936 JVKUFDHEEIAOCB-SFHVURJKSA-N 342.442 5.027 30 40 EKEB C=CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OCC 408530444 JJIRPQWTRCMERV-UHFFFAOYSA-N 347.414 5.056 30 40 EKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4ccco4)cc3)[C@@H]2C1 408936485 KLLFQFVYOQJMJJ-FZYXMWPSSA-N 340.426 5.857 30 40 EKEB N#Cc1c(/N=C\c2ccc(-c3ccccc3)o2)sc2c1CCCC2 409064187 OGMGGUUXBKSGIW-XKZIYDEJSA-N 332.428 5.509 30 40 EKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc(F)c1 8570893 AEHAQRRLQPQCTG-ZVHZXABRSA-N 349.405 5.472 30 40 EKEB O=C(/C=C\c1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 33376646 ZPJNRYQGWSFIDM-QINSGFPZSA-N 348.829 5.815 30 40 EKEB CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C/CCCC(=O)OC 39381660 MQCWCUDQEBWUAM-RXPYOIKUSA-N 334.500 5.516 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(F)cc2Br)cc1C 44844141 PRLDCKBXRVOGMA-BQYQJAHWSA-N 348.215 5.014 30 40 EKEB CCCCCCCCCCCCCCCCCC(=O)N(C)CCO 103219265 UOFPCDKBJJVSSD-UHFFFAOYSA-N 341.580 5.699 30 40 EKEB Brc1cccc2cc(/C=N/Nc3ccccc3)ccc12 4266386 CTIGYEJQXCSSSD-XDHOZWIPSA-N 325.209 5.048 30 40 EKEB CCCCCCCCCCCCCCCC[n+]1ccc(C#N)cc1 104129380 KXRDLAFDACMDEB-UHFFFAOYSA-N 329.552 6.327 30 40 EKEB Cc1oc(/N=C/c2cccc(OCc3ccccc3)c2)c(C#N)c1C 409139736 DQBXCOQWXVQKFP-YDZHTSKRSA-N 330.387 5.098 30 40 EKEB O=C(/C=C/c1ccccc1)c1cccc(OCc2cccc(F)c2)c1 575357642 PTNFFIUTYYJDGA-OUKQBFOZSA-N 332.374 5.301 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OCC 6959770 SUIXXODYGNAXJP-LPYMAVHISA-N 343.854 5.671 30 40 EKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 8570907 PLKRCVWHKFCVON-HYARGMPZSA-N 346.386 5.233 30 40 EKEB CCCCCCCCCCCCCC(=O)OCCSCCCC 100923904 MGVFKVNREKTWAO-UHFFFAOYSA-N 344.605 6.764 30 40 EKEB CCCCCCCCCC(=S)N1CCN(c2ccccc2)CC1 104087487 FMKFMZBNXRAKEK-UHFFFAOYSA-N 332.557 5.277 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 409009566 AYBPQBVIKXOTAE-CAUNFOBBSA-N 325.452 5.747 30 40 EKEB O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc2ccccc12 1640469 TWONXSIBWQBOKZ-UHFFFAOYSA-N 343.426 5.064 30 40 EKEB CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 2742016 XJMZCSBBXAIVMB-UHFFFAOYSA-N 338.476 5.264 30 40 EKEB CN(CCC#N)c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 5586519 JTGDUJVLGXPDIZ-CIAFOILYSA-N 332.234 5.094 30 40 EKEB C[C@H](c1ccc(Cl)cc1)N(Cc1cc(C#N)ccc1F)C1CC1 65552718 PYGXARSAMKMLKA-CYBMUJFWSA-N 328.818 5.076 30 40 EKEB CCCCCCCCCCCc1nc2ccccc2n1CCCCC 101099701 RALHIDUIGJVBIN-UHFFFAOYSA-N 342.571 7.300 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1OCC 409118515 QWBOPGACIOAOGZ-UHFFFAOYSA-N 331.843 5.224 30 40 EKEB C=CCSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 1893876 AVNCKQRNNNACGF-UHFFFAOYSA-N 334.469 5.627 30 40 EKEB CCN1/C(=C/C(=O)c2ccccc2)Sc2c1ccc1c2CCCC1 4486175 WOLLERYDKWBLEP-ZHZULCJRSA-N 335.472 5.222 30 40 EKEB CCCCCc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 4565469 KYRBFXGYIUUGHL-LFIBNONCSA-N 335.447 5.274 30 40 EKEB CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br 6963904 ZNXLCOVELBGUMY-YBFXNURJSA-N 332.241 5.215 30 40 EKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 8570881 HDGYIZPGAYHWBA-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2C1CCCCC1 15019320 LSCIZAIUAPLDPZ-UHFFFAOYSA-N 341.451 5.196 30 40 EKEB CCCCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 20792018 IWBMGYWLCONGJW-UHFFFAOYSA-N 349.478 5.074 30 40 EKEB Cc1csc2sc(C(=O)/C=C\c3ccccc3Cl)c(C)c12 33374258 PYRUGIGHZCZEMX-FPLPWBNLSA-N 332.877 6.129 30 40 EKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(Br)cc2C)c1 44844603 QPCYHLZBUZDGCG-CMDGGOBGSA-N 344.252 5.183 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2C)cc1OC 409382176 YTRTZKBMFWDGGC-SRMCNWIXSA-N 345.870 5.893 30 40 EKEB C#CCOc1ccc([C@H](CC)[C@@H](CC)c2ccc(OCC#C)cc2)cc1 1677722 HITRPXJUQPKJRE-ZEQRLZLVSA-N 346.470 5.398 30 40 EKEB CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 3025318 ZSXHEMWKVHIHPO-YBFXNURJSA-N 332.241 5.215 30 40 EKEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21 4710527 XALVZWXUCMNWHV-NRFANRHFSA-N 340.426 5.108 30 40 EKEB c1ccc([C@H]2O[C@H]2[C@@]2(c3ccccc3)Nc3ccccc3S2)cc1 15022460 ZEUYIQIOKFNOJX-NJYVYQBISA-N 331.440 5.197 30 40 EKEB C=CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(Cl)c1 44087289 RFRPPVHQJLWGPI-UHFFFAOYSA-N 340.879 5.779 30 40 EKEB Oc1ccc2ccccc2c1/C=N\Cc1c(O)ccc2ccccc12 96901458 FQPAVMLGOVHHFR-QRVIBDJDSA-N 327.383 5.023 30 40 EKEB in-vitro CCCCCCCC[C@H]1O[C@H]1CCCCCCCC[N+](C)(C)C 104375400 QYQCXBUVXGRVKB-RTWAWAEBSA-N 326.589 5.941 30 40 EKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C 408738085 NGSKQTDMGVNKDZ-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB Cc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 255124 MBIMFXBUTUJACV-WSDLNYQXSA-N 349.821 5.390 30 40 EKEB Oc1c(/C=N/N(c2ccccc2)c2ccccc2)sc2ccccc12 4833716 KJHNDQKPOSIKJE-PXLXIMEGSA-N 344.439 5.779 30 40 EKEB O=C(/C=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 5899520 RHTQNMZZPACPJI-VURMDHGXSA-N 343.209 6.150 30 40 EKEB C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 12656065 NDJUVJCBLCBNQW-ZHXOYZDKSA-N 330.512 5.003 30 40 EKEB biogenic CC/C(=N/Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 34106366 DBOQVHHRBVTNIU-AQTBWJFISA-N 338.194 5.128 30 40 EKEB COc1cccc2c(/C=N/C3CCCCC3)c(-c3ccccc3)[nH]c12 408841845 HZBZDAMFTDMLCV-HZHRSRAPSA-N 332.447 5.595 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 409198997 AUNWXUAALKJFJU-IWIPYMOSSA-N 349.861 6.232 30 40 EKEB CCN(CC)c1ccc(/N=C/c2ccc(OC)c3ccccc23)cc1 136708 FERWFNBNPUBDJL-XQNSMLJCSA-N 332.447 5.445 30 40 EKEB CC(C)(C)c1cc(/N=C/c2ccc(F)cc2)c(O)c(C(C)(C)C)c1 1923485 HLOOVTMYBRRYOP-YDZHTSKRSA-N 327.443 5.877 30 40 EKEB CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/O 4024913 SUIVXLJKUVOXKD-VFOBQYJWSA-N 345.571 7.142 30 40 EKEB CCc1cccc2c(C#N)cn(CCOc3cc(C)ccc3C(C)C)c12 6945274 NMSKZHVZXMFRFX-UHFFFAOYSA-N 346.474 5.586 30 40 EKEB C=C(C)[C@H]1CC=C(C)/C(=N/Nc2ncnc3c2oc2ccccc23)C1 7901622 SKRDKACWICDTCE-XLOANJQZSA-N 332.407 5.076 30 40 EKEB Cc1cccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 17124072 HEIHUWPIGPZJLL-NTCAYCPXSA-N 328.411 5.470 30 40 EKEB CCCCCCCCCCCCCCCC(=O)NC1CCCCC1 43664434 OXNIVLAQPVUFDE-UHFFFAOYSA-N 337.592 6.917 30 40 EKEB CCO/C(C)=N/OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1 143662537 WOUZBNWNCNNUOH-LPYMAVHISA-N 343.389 5.640 30 40 EKEB C[C@H]1CCC[C@H](C)N1CC#CCC(c1ccccc1)c1ccccc1 1817314 UYHHYVBPVDGICP-SFTDATJTSA-N 331.503 5.475 30 40 EKEB S/C(=N\N=C/c1cccc(Oc2ccccc2)c1)Nc1ccccc1 5237132 RVDXHSQHRRYPJR-QNGOZBTKSA-N 347.443 5.211 30 40 EKEB CCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 17125639 MITRFJAIWOSLBJ-WOJGMQOQSA-N 328.462 5.255 30 40 EKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 32100536 BJFQMUFHQRBKPH-PKNBQFBNSA-N 339.744 5.557 30 40 EKEB O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 33376698 XJRACTZDWAQGCJ-GHXNOFRVSA-N 326.317 5.755 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(Br)cc1 100097312 UPXYDTHCXGAAOR-UHFFFAOYSA-N 339.317 6.553 30 40 EKEB C=CCOc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 408562971 HDYRIVKYLRIZHK-OVCLIPMQSA-N 335.447 5.201 30 40 EKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCCC 409113133 GPGSGUSHVDDOFP-UHFFFAOYSA-N 339.479 5.387 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OC 409116734 LZYAUOXYXYYLKA-UHFFFAOYSA-N 331.843 5.142 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C)c1 37431 CEKHTIJKKOHJEH-CIAFOILYSA-N 334.375 5.531 30 40 EKEB C(=N/c1ccccc1Sc1ccccc1)\c1ccc2ncccc2c1 12556060 MNTJTIXVWKNMDM-LFVJCYFKSA-N 340.451 6.137 30 40 EKEB Cc1ccc(/N=C\N(C)Sc2ccc(C(C)(C)C)cc2)c(C)c1 17105329 LOYWPTGGWAAHAF-STZFKDTASA-N 326.509 5.900 30 40 EKEB O/N=C1\CCC=CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 18153326 BFXQQPMAGMXACF-GQOPQFTKSA-N 334.463 5.018 30 40 EKEB CCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 36330560 FRFKXRWIBACCCN-UHFFFAOYSA-N 333.560 5.992 30 40 EKEB in-vivo O=C(/C=C/c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1Cl 4473074 VDBTUGSRBUXADC-ZRDIBKRKSA-N 330.814 5.807 30 40 EKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1F 5649205 VSKVGQGUCVBJKJ-QINSGFPZSA-N 332.374 5.301 30 40 EKEB Cc1cc(C(F)(F)F)c(C#N)c(SC/C=C/c2ccccc2)n1 9304740 SACFVEJTHGCLCP-VMPITWQZSA-N 334.366 5.086 30 40 EKEB Cc1cccc(/C(=N\c2ccc(C)c(Cl)c2)NC2CCCCC2)c1 17293700 USSRDSJJYHOVAN-UHFFFAOYSA-N 340.898 5.957 30 40 EKEB CCc1cccc(C)c1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 32100228 FEDINKJPUYJAPH-WUKNDPDISA-N 341.454 6.033 30 40 EKEB C=CCCCCn1c2ccccc2c2c(C)c3c[n+](C)ccc3c(C)c21 1622710 FLMXESLBIYCJLG-UHFFFAOYSA-N 343.494 5.745 30 40 EKEB CC(=O)Nc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1 2067259 IQDOQQVMDNAQIW-VXCFCLNRSA-N 333.218 5.368 30 40 EKEB CCCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1 7939568 AKHVMOHCKFNEJC-BUHFOSPRSA-N 346.426 5.533 30 40 EKEB C[C@@H](/N=C(/S)Nc1ccc(OC(F)F)c(Cl)c1)C(C)(C)C 13684218 QEUBFJDMZOZIHS-MRVPVSSYSA-N 336.835 5.074 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccccc3)cs1)C2 96609291 LPZRONVVQPPYEV-HZDRWIJVSA-N 325.481 5.424 30 40 EKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(C)c3C)cc2)cc1 408776699 PTPRCBADIMMTFU-HYARGMPZSA-N 334.419 5.193 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccccc3Cl)c2)c1 409200831 JKPWOUPFTLVNHT-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2cccc(C)c2C)cc1 409215984 HBXMBUMBGNQLKZ-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB N#C[C@@H](c1ccccc1)[C@H](c1ccccc1)c1cccc2ccccc12 1564949 ORUOOZRLKXSWDE-LOSJGSFVSA-N 333.434 6.279 30 40 EKEB O=C1C(=C2C=Cc3cc(-c4ccccc4)ccc3N2)C(=O)c2ccccc21 4235734 NHKMVOJHMIWGLQ-UHFFFAOYSA-N 349.389 5.126 30 40 EKEB biogenic COc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1C 4604718 VEDBFQALLFYWLI-UHFFFAOYSA-N 332.428 5.267 30 40 EKEB Cc1ccc2cc(/C=C/C(=O)c3cccc(F)c3)c(Cl)nc2c1 96997102 DSZACVRPOFADKZ-BQYQJAHWSA-N 325.770 5.232 30 40 EKEB O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1c1ccccc1 100327261 IUPTYEBARUELQN-QOCHGBHMSA-N 332.790 5.139 30 40 EKEB CCCCCCCCCCCCC(=O)CCCC(=O)N(CC)CC 101674656 NKEPTJSKGOGPGS-UHFFFAOYSA-N 339.564 5.905 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(CC)cc3)c2C)cc1 198070015 WTURLVHHCFWRFN-LFVJCYFKSA-N 346.474 5.806 30 40 EKEB CCCCCCCC/C=C\CCCCCCc1cncc(C=O)c1O 263615763 FCYXLLCAEPQMKF-KTKRTIGZSA-N 345.527 6.400 30 40 EKEB C#CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2C1=O 408815984 KBGHEQHMBJITQY-STZFKDTASA-N 342.419 5.181 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2)cc1OC 409371649 XPCUUAGHHDGUSG-OVMKCGGTSA-N 335.806 5.416 30 40 EKEB O=C(/C(=C/c1ccco1)c1nc2ccccc2s1)c1ccccc1 5578567 BSYOEVZUHHRLRD-SSZFMOIBSA-N 331.396 5.313 30 40 EKEB COc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 12339535 LBUIGFCPSGJSAD-FIWMFUAISA-N 342.394 5.095 30 40 EKEB COc1cccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)c1 12368256 NNXVIEWKGKMBNP-QFXGEWDLSA-N 342.394 5.095 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 166118245 RQUKMMSLHPODNJ-MFKUBSTISA-N 339.442 5.701 30 40 EKEB COc1cccc2c(/C=N/c3ccccc3C)c(-c3ccccc3)[nH]c12 408838572 GEZWCAHIKYOLRV-BUVRLJJBSA-N 340.426 5.903 30 40 EKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(C)ccc4O)ccc3o2)c1 219450 IMVPWRMGDCZKCY-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB biogenic Cc1cc(C)c2c(c1)/C(=N\c1ccccc1)c1cc3ccccc3nc1-2 13301401 KXSLOYHVRYVSLC-WJTDDFOZSA-N 334.422 6.001 30 40 EKEB O=C(/C=C/c1c(F)cccc1Cl)c1cc(Cl)ccc1Cl 71976978 JYTZZDGFNGZBRM-FNORWQNLSA-N 329.585 5.682 30 40 EKEB Clc1ccc(-c2nc(/C=N/c3ccccc3)c3ccccn23)cc1 100859338 QWEZQWLXQLOFQN-HYARGMPZSA-N 331.806 5.405 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)cc1 408759693 JUOQJDPMGMKABS-HYARGMPZSA-N 334.488 5.696 30 40 EKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccccc2)cs1 409055553 ZIRMWPUBSQQYIA-DVBYBJGBSA-N 337.423 5.450 30 40 EKEB CCN(CC)c1ccc(/C=N/c2ncc(-c3ccccc3)s2)cc1 353467 ZLJNMMSTRSFWGR-KGENOOAVSA-N 335.476 5.407 30 40 EKEB O=C(/C=C/Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 15774361 CVEFMJFNNJHMIX-BQYQJAHWSA-N 326.610 5.455 30 40 EKEB CCCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 97941844 CDMBOYPOIVMVHK-UHFFFAOYSA-N 330.299 6.463 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1O 6582613 FDXUZGHOUPSGBG-NTUHNPAUSA-N 336.431 5.345 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 408595069 KGDLFUZFMOHAHM-LPYMAVHISA-N 348.427 5.162 30 40 EKEB CCc1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 409381387 TYYNALPJZCEMMX-KOUDTOEKSA-N 345.870 5.839 30 40 EKEB Clc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1Cl 4920274 QWZSEEDODRPGHV-CNHKJKLMSA-N 334.033 5.746 30 40 EKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)c2cccc3cccc1c23 5491047 UAJIQGFXSYNTFB-XQNSMLJCSA-N 332.402 6.244 30 40 EKEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(C2CCCCC2)cc1 12562118 ZNIVJDFVEVFAAP-HZHRSRAPSA-N 349.503 6.180 30 40 EKEB Cc1cc(NN=C2CCC(c3ccccc3)CC2)c2ccccc2n1 35586334 LIQXTMGXZMKQIS-UHFFFAOYSA-N 329.447 5.669 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2C)cc1 44843234 ASGZPRFPYLBGJE-VAWYXSNFSA-N 343.854 5.636 30 40 EKEB Cc1cc(C)cc(/N=C2\C(=O)N(c3ccccc3)c3ccccc32)c1 100111292 BFPPOJSNKOGZKR-LNVKXUELSA-N 326.399 5.103 30 40 EKEB Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 220074 ONACKYNMEITWAZ-WSDLNYQXSA-N 348.789 5.604 30 40 EKEB O=C(Nc1c(Cl)cc(Cl)cc1Cl)ON=C1CCCCC1 5662803 LPWJAUGXJQHYCZ-UHFFFAOYSA-N 335.618 5.515 30 40 EKEB CCCCCCCCCCCCCCCCCCCC[C@H](C)CC 78420815 WCAGWYVPTZQWEN-XMMPIXPASA-N 338.664 9.464 30 40 EKEB endogenous,in-man CCCCCCCCCCNC(=S)Nc1cc(Cl)ccc1O 100950734 UYWBOCPUIGJQAQ-UHFFFAOYSA-N 342.936 5.473 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(OC)cc3)ccc21 46062 GPOLVRIZLLMMCX-HZHRSRAPSA-N 328.415 5.574 30 40 EKEB S=c1sc2c(s1)SCC(=NNc1ccccc1)CS2 4565264 PPPFNZFQWZIXRM-UHFFFAOYSA-N 342.561 5.205 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CCC(C)=O 12655666 RUJSTMILPJJENL-PSDOWTQXSA-N 330.556 6.881 30 40 EKEB biogenic Cc1cc(Br)ccc1/N=C/c1ccc(N2CCCC2)cc1 18206147 CZRBLKNOIOKBDK-DEDYPNTBSA-N 343.268 5.108 30 40 EKEB CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 97960063 BYIMBQZDQROFTN-UHFFFAOYSA-N 346.540 5.968 30 40 EKEB F/C(=C(C(=C\C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F 100423643 DPXNAJTXBVCZPB-XLFBNKDWSA-N 344.070 5.386 30 40 EKEB CCCCCCCCCCCCCCCC(=O)N(CC#N)CC#N 100925335 KTFNYRCISAFJPO-UHFFFAOYSA-N 333.520 5.343 30 40 EKEB COc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl 409200897 KFAWCMBAALLQEQ-UFWORHAWSA-N 328.626 5.714 30 40 EKEB CCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 6155608 MHSPORHCIGYISU-UFFVCSGVSA-N 342.748 5.204 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)c(C)c1 8368810 MDHWKZDJBUYYQJ-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(F)cc1 8570889 CMFJEJBJTOTSRQ-ZVHZXABRSA-N 349.405 5.472 30 40 EKEB C=CCCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 75144659 AXBSMDQASBYIQO-QGZVFWFLSA-N 338.451 5.095 30 40 EKEB CCCCCCCCCCCCCCC[C@@H]1CCC[C@@H]2CCCC[C@@H]21 104145443 KAPWPCCFMBDURV-DSNGMDLFSA-N 348.659 9.074 30 40 EKEB O=C(/C=C/Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 409054515 BABTWORQIMEIKV-BQYQJAHWSA-N 326.610 5.455 30 40 EKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3c4c(cccc24)CC3)cc1 3114511 DTJVMTKHBFEJFM-FQQHRLMYSA-N 328.371 5.262 30 40 EKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1 3128451 REVPLDCYXONMES-UHFFFAOYSA-N 340.304 5.431 30 40 EKEB Cc1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)cc1Cl 4933274 GWXUEKHPBCUNFV-HYARGMPZSA-N 336.822 5.887 30 40 EKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3)cc2)sc2c1CCC2 6566306 FNDIMPBTJUNHSI-OEAKJJBVSA-N 328.440 5.526 30 40 EKEB CC(C)(C)Oc1ncc(-c2cccc(N=[N+]=[N-])c2)c(OC(C)(C)C)n1 34512021 NDFUIOKSOIKYFN-UHFFFAOYSA-N 341.415 5.440 30 40 EKEB CC12C[C@@H]3C[C@H](C1)CC(C/N=C/c1c(O)ccc4ccccc14)(C3)C2 100100042 FHOMMXBZDRGRMN-RKLVHNIUSA-N 333.475 5.571 30 40 EKEB Cc1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1C 100116478 YSEUOBQYBADXIH-LPYMAVHISA-N 347.418 5.370 30 40 EKEB Cc1nc(SCc2ccc(Cl)cc2)c(C#N)c2c1CCCC2 545986 YDLQJTUSJUBZHL-UHFFFAOYSA-N 328.868 5.086 30 40 EKEB Cc1cccc(/N=C2\C=Cc3noc4c3c2c(O)c2ccccc24)c1 1293658 USOOWMIXLJMRBS-CJLVFECKSA-N 326.355 5.143 30 40 EKEB N#C[C@]1(c2nc3ccccc3s2)C[C@H]1c1ccc(Cl)cc1Cl 2625035 UYINWSGGEKJDLS-YVEFUNNKSA-N 345.254 5.552 30 40 EKEB Cc1c(Cl)cc(/C=N/c2cccc3cccnc23)c(O)c1Cl 3122962 XUGANJCNWBHDOS-ZVBGSRNCSA-N 331.202 5.306 30 40 EKEB O=C(/C=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1Cl 33376710 NGJNCPUDHJBUDA-WAYWQWQTSA-N 327.594 5.249 30 40 EKEB CCOc1ccc(N/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 104498256 AXCOALJMTIXIST-MDZDMXLPSA-N 336.218 5.201 30 40 EKEB C(#Cc1ccccc1)/C=C/c1ccc2cccc(-c3ccccc3)c2c1 2077636 FPOOBBUMYYVNIY-MDWZMJQESA-N 330.430 6.572 30 40 EKEB CCCCCCCCOC(=O)c1ccc(/N=C/c2ccccc2)cc1 3118592 ZXYYIFWDGWQRAR-PTGBLXJZSA-N 337.463 5.955 30 40 EKEB CC/C(=N\NC(=S)Nc1ccc(C)cc1C)c1cccc(Cl)c1 4871827 XABYYQFRAPNGBB-LTGZKZEYSA-N 345.899 5.058 30 40 EKEB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)CO5 12655943 BDIOFUIBSDCUQC-VPKNDNEBSA-N 346.555 5.329 30 40 EKEB biogenic COc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2F)c1C#N 27023319 COGVUTNTZBJSIL-UHFFFAOYSA-N 338.769 5.088 30 40 EKEB CCCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@H](O)C2)c(O)c1 78274733 BIGNODGYJZJTBM-QUCCMNQESA-N 346.555 6.439 30 40 EKEB CCCCCCCCCCCCCC(=O)Nc1nc2ccccc2o1 100304371 BRJRBGAVMQYSDW-UHFFFAOYSA-N 344.499 6.467 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N/c1ccccc1 102633416 VATCRNPMYSZGFN-XUTLUUPISA-N 340.879 5.597 30 40 EKEB Clc1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)cc1 408911645 AUCWSJIVROLWBV-KEBDBYFISA-N 325.751 5.079 30 40 EKEB Cc1[nH]c(=N)c(C#N)c(-c2cccc3ccccc23)c1-c1ccccc1 408976661 BNSKDJGQXVWHSE-UHFFFAOYSA-N 335.410 5.161 30 40 EKEB COc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1 409232926 TUDQQPIXHZSDLP-JCMHNJIXSA-N 333.456 5.905 30 40 EKEB Oc1ccccc1/C=N\N=C(/C=C/c1ccccc1)c1ccc(F)cc1 8637737 IRGXMSVMSRIOPZ-GEXFZYLTSA-N 344.389 5.068 30 40 EKEB N#CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 16385050 MIBRWCCGMDZZPV-UHFFFAOYSA-N 340.254 5.074 30 40 EKEB Cc1cc(/C=N/c2ccccc2F)c(C)n1-c1ccc(Cl)cc1 100116527 DXUPSHWOVYQEMJ-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB C=CCOc1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1 408603109 ATQIEUZTAISFCW-UHFFFAOYSA-N 326.198 5.309 30 40 EKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2C)cc1 409217636 RACQMSKGSGTPBI-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1 1753064 IBQANYZSBTWGKI-UHFFFAOYSA-N 340.920 5.294 30 40 EKEB CN1/C(=C\C(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc21 32686500 QXXOYXLFPZDRBG-QNGOZBTKSA-N 333.475 5.478 30 40 EKEB CCCCCC/C=C/[C@@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2C[C@H]1N=N2 504685752 SRIZDZJPKIYUPZ-VZXKDBBVSA-N 332.488 5.553 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 58970 IBEFTVWPTGJHEO-OEAKJJBVSA-N 349.817 5.618 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl 6958079 SJMIZYDUZUPLMB-AWQFTUOYSA-N 342.653 6.105 30 40 EKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1 6962254 CWGHRVIVKUNFNZ-FYJGNVAPSA-N 347.842 5.287 30 40 EKEB Clc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1 58822575 ZYOCVKKGAPHISV-HYARGMPZSA-N 336.822 5.365 30 40 EKEB CCCCCCCCCCCCCCCC[N+]1([O-])CCCCCC1 104199023 XASUGLXXVKOGKO-UHFFFAOYSA-N 339.608 7.356 30 40 EKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cc(Cl)ccc1C 107575939 PPPXZSROFHCZPH-WSDLNYQXSA-N 330.834 5.447 30 40 EKEB N#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 12633153 ZADVPTOFUDJECW-UHFFFAOYSA-N 340.813 6.094 30 40 EKEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Cl)c(Cl)c2)c1 100479866 UJPKDPYMYGDVAN-IDUWFGFVSA-N 329.570 5.306 30 40 EKEB CCCCCCCCCCCCC/C(=N\O)c1ccc(OC)cc1O 100930277 CNJZQQPRVAVQDU-LSDHQDQOSA-N 349.515 6.280 30 40 EKEB CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253505457 QCPOUGYGVCEUFB-ICJYPBSPSA-N 328.540 6.181 30 40 EKEB Cc1ccc(CO/N=C/c2cccnc2Sc2ccc(C)cc2)cc1 3105098 YMOFDIKOCVFRNM-OEAKJJBVSA-N 348.471 5.400 30 40 EKEB CN(C)c1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 4748712 RSRSSXJUSJDRNW-LICLKQGHSA-N 343.426 5.441 30 40 EKEB CCCCCc1ccc(C(=O)N2C=Cc3ccccc3[C@H]2C#N)cc1 5614849 OUKIPYQZBNPCSJ-OAQYLSRUSA-N 330.431 5.111 30 40 EKEB Cc1ccc(N/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1Cl 6923939 JMUBLQOMYYUZAY-SREVYHEPSA-N 340.637 5.764 30 40 EKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 20672567 XPHWGQMCCFYNOB-OAQYLSRUSA-N 345.446 5.038 30 40 EKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1ccccc1 3260601 DIXNJPLJYRTWJK-UHFFFAOYSA-N 345.423 5.066 30 40 EKEB C/C(=N\Nc1ncc(Cl)cc1Cl)c1ccc2ccccc2c1 6513047 QYUNOGCPGNDXDO-SRZZPIQSSA-N 330.218 5.378 30 40 EKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 8990307 XIIJANYUIGVUAC-ODLFYWEKSA-N 340.806 5.301 30 40 EKEB CCCCCCCCCCCCN1CCN=C1c1ccccc1O 100930295 CLINQNKLPRZHAV-UHFFFAOYSA-N 330.516 5.375 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1cccc(Cl)c1 408751780 CFLHWXRVRAODKF-FOKLQQMPSA-N 344.792 5.776 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2cccc(Cl)c2)c1 8368200 WNIFWTGKJPOUOD-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 8570793 UHDXSHIVJWWSDZ-YOBACFSGSA-N 336.504 5.830 30 40 EKEB CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cccc(Cl)c1 12524970 QJFYIEXVZSBRST-CJLVFECKSA-N 344.245 5.768 30 40 EKEB CCCCCCCCCCCCCCNCC(OCC)OCC 73369178 CTPIBYLTVIWKMP-UHFFFAOYSA-N 329.569 5.676 30 40 EKEB COc1ccccc1/C=N\c1ccc(/N=C/c2ccccc2OC)cc1 322662 TYISIADVNXXHSY-REPVBDINSA-N 344.414 5.205 30 40 EKEB Clc1cccc(Cl)c1/C=N\N=C\c1c(Cl)cccc1Cl 4582710 VVYREDLOWZKKFX-NORIJPHCSA-N 346.044 5.753 30 40 EKEB Cc1ccc(C(=O)/C=C\Nc2ccc(OC(F)(F)F)cc2)c(C)c1 6275868 YQXYWSBUIQGZIG-KTKRTIGZSA-N 335.325 5.011 30 40 EKEB OC1=NC(=N/c2ccc(F)cc2)/C(=C/c2cccc3cccnc23)S1 72401636 XIXRXMQRIGXVCJ-WJDWOHSUSA-N 349.390 5.106 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3O)cc21 223620622 KZKPFFJXPRYPKS-QGNWGPJTSA-N 342.870 5.518 30 40 EKEB Cc1ccc(C(=O)/C=C/c2c(OC(C)C)ccc3ccccc23)cc1 408692117 DSMAQIMDKNHROC-BUHFOSPRSA-N 330.427 5.832 30 40 EKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1 226274 NDOQRHZFBAKUKC-FSJBWODESA-N 346.361 5.399 30 40 EKEB O=C1c2ccccc2[C@]2(c3ccccc3)O[C@]12c1cccc2ccccc12 2275527 CNCXDAYVPAKAQI-LOSJGSFVSA-N 348.401 5.205 30 40 EKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCCCC2)cc1 16428164 QBUOJSFDZHAFFV-CIAFOILYSA-N 349.261 5.440 30 40 EKEB CCCCCCCCCCCCCCCCCCCCCC(C)C 86052449 JNHSEDRFFJZMLH-UHFFFAOYSA-N 338.664 9.464 30 40 EKEB endogenous,in-man CCc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 198080237 MNGBHWCAQFYWDP-SYXCRGJESA-N 334.507 6.030 30 40 EKEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 216887918 LXKGHNJNSBWLBR-NTCAYCPXSA-N 344.410 5.161 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C)cc1 254443547 RLJXUGDKLALCET-UHFFFAOYSA-N 340.879 5.597 30 40 EKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)c1 408763266 OTOPLGYAKBWLEH-JLPGSUDCSA-N 346.474 5.806 30 40 EKEB O=C(/C=C/c1sccc1Oc1ccccc1)c1ccc(Cl)cc1 5279515 FTTBSDFYQAREHZ-ZHACJKMWSA-N 340.831 6.090 30 40 EKEB Cl/C(=C/C=N/Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 6828946 VHEUTZMCAQYWQU-MPGSNBGNSA-N 325.626 5.671 30 40 EKEB O=C(/C=C\Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 16398875 MANRFWTVYPEXKM-SREVYHEPSA-N 326.610 5.455 30 40 EKEB FC(F)(F)C(C#CC(F)(F)C(F)(F)C(F)(F)F)=C1CCCC1 68591331 MMHLDEGBUZDZPA-UHFFFAOYSA-N 342.176 5.256 30 40 EKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CC 100040922 WUUOYCPDGWDPRO-UHFFFAOYSA-N 326.633 7.344 30 40 EKEB Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 408739372 BHDVNTOHMAUAAR-DEDYPNTBSA-N 325.412 5.269 30 40 EKEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(C2CCCCC2)cc1 4864248 MYKYRAXHCSZNTH-BUVRLJJBSA-N 332.451 5.447 30 40 EKEB CCCc1ccc(O)c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 5432167 JCNNQUDYEAMTPG-LPYMAVHISA-N 339.822 6.009 30 40 EKEB FC(F)(F)c1ccccc1/C=N/Nc1ccc(Cl)c(Cl)c1 5445372 NPIBKEACIQBSDN-DNTJNYDQSA-N 333.140 5.458 30 40 EKEB C=CCOc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 6295883 OZUHDIGJFRKTNQ-HAVVHWLPSA-N 329.399 5.794 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 8371937 HCJWLMHZYBBGMT-HYARGMPZSA-N 346.386 5.233 30 40 EKEB Cc1cc(C)c(C#N)c(SCCOc2ccc(C(C)C)c(C)c2)n1 12546779 AFGURVVMZFXTSZ-UHFFFAOYSA-N 340.492 5.173 30 40 EKEB COc1ccc(C(=O)/C=C/Oc2c(C)cc(Cl)cc2Cl)cc1 16269637 WMQXBWQLHFUJFL-BQYQJAHWSA-N 337.202 5.086 30 40 EKEB CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O 100055236 HOLZCMFSCBLOLX-UHFFFAOYSA-N 349.559 6.173 30 40 EKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc(C)c(C)c3)c3cc(C)cc1c32 14671496 JVPUPZIASDZQPL-HIXSDJFHSA-N 344.458 5.275 30 40 EKEB c1ccc(N/N=C2\CCC[C@H]3/C(=N/Nc4ccccc4)CCC[C@H]23)cc1 38801925 QPWBQKFQGBTMQA-ROBIAQTMSA-N 346.478 5.523 30 40 EKEB N#C[C@@H](c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl 91302217 MGFRJYXYYHULHP-JTQLQIEISA-N 331.124 5.063 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl 409112196 FJNHNWDCZZMCCH-UHFFFAOYSA-N 338.234 5.179 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(CC)cc1 409115325 IRAYUUYMVBYCKE-UHFFFAOYSA-N 336.262 5.733 30 40 EKEB Clc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1Cl 2132877 KQKKSZFTZRBKLN-LPYMAVHISA-N 341.241 6.488 30 40 EKEB CCCCCCCOc1ccc(CNCc2ccc(OC)cc2)cc1 100042545 MHVSJTWBFBKHEG-UHFFFAOYSA-N 341.495 5.334 30 40 EKEB N#Cc1cccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)c1 226817805 TZITZPSXKADBIB-UHFFFAOYSA-N 340.813 6.094 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1 408737562 DGBGOLNUIUWFEE-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1555249 SMRJHVJMMYECFQ-UHFFFAOYSA-N 347.461 6.314 30 40 EKEB C=CCN(CC=C)C(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2748928 RJDNJAJQYORELL-UHFFFAOYSA-N 342.442 5.024 30 40 EKEB CCCCCCCCC(=O)N[C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 3184318 CEDNUJDFKQCKRQ-SFHVURJKSA-N 349.518 6.186 30 40 EKEB CC1(C)C/C(=N\O)[C@H]2C=C(c3ccccc3)N(c3ccccc3)[C@H]2C1 4733306 NZYZTHSCGJTRQR-DQTIAJCKSA-N 332.447 5.183 30 40 EKEB Cc1c([C@H]2[C@@H](CC#N)C2(C)C)c2ccccc2n1Cc1ccccc1 4819825 YBWPFPIKLZMLIK-DENIHFKCSA-N 328.459 5.651 30 40 EKEB CCCCOc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 4927961 JKTGQKJNRMOOHK-UDWIEESQSA-N 337.250 5.618 30 40 EKEB COc1ccc(N/C(=N/c2ccc(C)cc2)c2ccc(C)cc2)cc1 5588049 LIHBYDFWCCUPCM-UHFFFAOYSA-N 330.431 5.502 30 40 EKEB O=C(/C=C/c1cc(Br)cs1)c1cc2ccccc2o1 13137374 VBKLTZBIHDUHIY-AATRIKPKSA-N 333.206 5.153 30 40 EKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1 408600188 AFIJDKPSZHFXFQ-UUYOSTAYSA-N 338.476 5.284 30 40 EKEB COc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 409214914 ZPZSCKDFGNJGCF-UCQKPKSFSA-N 335.378 5.164 30 40 EKEB N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 524415 CTRXNIUTMFXQHN-UHFFFAOYSA-N 349.393 5.026 30 40 EKEB O=C(/C=C/c1cccc(Br)c1)c1ccc2ccccc2c1 6345409 JJTAXHNHBCCVPQ-DHZHZOJOSA-N 337.216 5.498 30 40 EKEB Cc1ccc([N+](=O)[O-])cc1/N=C/C(Br)=C/c1ccccc1 97831983 NOAWUCLBGXVZJD-MCVIOFPKSA-N 345.196 5.042 30 40 EKEB CCCCCCCCCCCCS(=O)(=O)Nc1cccc(O)c1 100922120 BADRFYXPMFPHPN-UHFFFAOYSA-N 341.517 5.055 30 40 EKEB CCCCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)NCCO 195804477 YKGQBEGMUSSPFY-WYTUUNCASA-N 349.559 5.465 30 40 EKEB CCCCCCCCCCCOC(=O)c1ccc2nccnc2c1 408721916 MWSUZRAFJKJLFM-UHFFFAOYSA-N 328.456 5.317 30 40 EKEB O=C1C=C(Nc2ccccc2C(F)(F)F)C[C@@H](c2ccccc2)C1 409003353 SCHOSBORKULKNZ-CQSZACIVSA-N 331.337 5.148 30 40 EKEB CC(C)Oc1ccc(/C=C2\Cc3ccccc3C2=O)c(OC(C)C)c1 409371998 NMIGSDGQWVRYND-LDADJPATSA-N 336.431 5.083 30 40 EKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(Cl)cc1 320488 BDSZDPXHBZBYMD-RGVLZGJSSA-N 330.218 5.238 30 40 EKEB CSC(=S)N(/C=C/C(=O)c1ccccc1)c1ccc(Cl)cc1 33692181 UASNZLYGMOPFRA-VAWYXSNFSA-N 347.892 5.191 30 40 EKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225931180 KXROXSCDHJMLDN-UHFFFAOYSA-N 335.447 5.092 30 40 EKEB Cc1ccc2nc(-c3ccc(N=Cc4cccs4)cc3)sc2c1 245229263 SBVBFJXAIORWIK-UHFFFAOYSA-N 334.469 6.084 30 40 EKEB Cc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 408856804 RGYHTIPAFAAKAA-MOSHPQCFSA-N 339.236 5.299 30 40 EKEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCCC2)cc1 408959504 ABODJQMWGCEBFE-HKOYGPOVSA-N 341.458 5.781 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1F 409076355 AYCDBRYVZKYATM-QFEZKATASA-N 349.449 5.750 30 40 EKEB Cc1ccccc1/N=C/c1ccccc1OCc1cccc(Cl)c1 8570931 FDVPYMGPCBFTDZ-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CN(C)c1ccc(/C=C\C(=N/Nc2ccccc2)c2ccccc2)cc1 13403868 PGXVQLMSRMMTSF-VZMLXCLQSA-N 341.458 5.282 30 40 EKEB O=C(/C=C\c1c(F)cccc1Cl)/C=C\c1c(F)cccc1Cl 33376491 LBUDJHCIGYIYFW-XOHWUJONSA-N 339.168 5.567 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1C 409213885 WBMZGUJWHMCUDI-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)cc1 4689448 ASOKJDFMQHQHEZ-UHFFFAOYSA-N 348.402 5.101 30 40 EKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1F 8113931 MDNXRRXXTPAEPX-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB CCCCCCCC/C=C\CCCCCCCc1cc(O)cc(O)c1 44387328 DQSWQRFGZIJUCI-KTKRTIGZSA-N 346.555 7.288 30 40 EKEB biogenic,in-vitro CCCCCCCNC(=O)c1c(-c2ccccc2Cl)noc1C 2312029 NKHZYWIDBSKKQU-UHFFFAOYSA-N 334.847 5.004 30 40 EKEB CCCCCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 12648726 PFKABOXBVFSGMS-UHFFFAOYSA-N 346.478 5.230 30 40 EKEB CCCCCCCCCCCC[C@@H](O)CCCCCCCCC 101673588 CXVXDJZIVPZPSN-QFIPXVFZSA-N 326.609 7.799 30 40 EKEB CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccccc3)cc2c1 4981737 QLHSZEYBRZCSAI-DHZHZOJOSA-N 337.806 5.183 30 40 EKEB CSc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 6320193 HFXJZNURKSTNRJ-RGVLZGJSSA-N 327.840 5.056 30 40 EKEB COc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OC(C)C 12816333 MDPIKLUUDPOIRC-CSKARUKUSA-N 336.387 5.125 30 40 EKEB Clc1ccccc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1 13773667 LDLQSZWIGAGTKL-LPYMAVHISA-N 331.806 5.634 30 40 EKEB CCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)c(C)c1 35586020 JZCMXWBIQFDVBL-KGENOOAVSA-N 325.408 5.013 30 40 EKEB CC12C[C@@H]3C[C@@H](C1)CC(C/N=C/c1c(O)ccc4ccccc14)(C3)C2 100780994 FHOMMXBZDRGRMN-JDEMNRAUSA-N 333.475 5.571 30 40 EKEB Fc1cccc(Cl)c1/C=N/N=C(c1ccccc1)c1ccccc1 2921401 GORCIUOLLOYJKB-OEAKJJBVSA-N 336.797 5.351 30 40 EKEB C=C(C)CCC[C@H](C)CCN(C(=O)c1ccccc1)c1ccccc1 3845679 ZDKVRPUJTHVKLG-FQEVSTJZSA-N 335.491 6.106 30 40 EKEB biogenic CCc1c(/C(C)=N/Nc2ccc(C(F)(F)F)cn2)oc2ccccc12 7008880 JGGHCYPIFYVHAR-FOKLQQMPSA-N 347.340 5.245 30 40 EKEB Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Cl)cc1 59248228 LRKSSSYFGNJMPC-CIAFOILYSA-N 329.230 5.843 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)N1CCCCC1 79417938 MSYHTCRNDOWWKR-MDZDMXLPSA-N 349.603 7.036 30 40 EKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCC 409110339 UTGOIIFTUPLCCC-UHFFFAOYSA-N 325.452 5.133 30 40 EKEB Cc1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C 14258572 DAPBPFJFECJHPS-UHFFFAOYSA-N 340.835 5.296 30 40 EKEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 15218321 WURTYIBIKWBXER-XKZIYDEJSA-N 338.838 5.298 30 40 EKEB Cl/C(=C\C=N\N=C\C=C(/Cl)c1ccccc1)c1ccccc1 16450688 ZTBXUMMJHQDIQM-SAHJKQPNSA-N 329.230 5.603 30 40 EKEB CCn1c(N/N=C(/C)c2ccc(C(C)(C)C)cc2)nc2ccccc21 408692668 RWWNTXCUDQSANU-HAHDFKILSA-N 334.467 5.190 30 40 EKEB CCCCCCCCc1c(C(=O)O)c2ccccc2c2ccccc12 3114387 FAEWNCHZTILCEK-UHFFFAOYSA-N 334.459 6.594 30 40 EKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 4064219 LMONJZBWBMMZPU-OEAKJJBVSA-N 332.447 5.470 30 40 EKEB C/C(=N\Oc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 5184364 NKFZFCOBICEMJC-ODCIPOBUSA-N 349.139 5.210 30 40 EKEB COc1cccc(/N=C\c2ccc(/C=N\c3cccc(OC)c3)cc2)c1 18051666 WILUYCCJGCJLNY-MPKYGIEOSA-N 344.414 5.205 30 40 EKEB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N/O 43735869 SUIVXLJKUVOXKD-XACSIHIESA-N 345.571 7.142 30 40 EKEB C(=N/Nc1nc2ccccc2c2ccccc12)\c1c[nH]c2ccccc12 4808446 UBMDJTIFWLNTDY-ZVHZXABRSA-N 336.398 5.315 30 40 EKEB CC(=O)Nc1ccc(N[C@@H]2CCCCCCCCCC/C2=N\O)cc1 5260783 WUQHZSFCJDEOPZ-VKQKAZQBSA-N 345.487 5.170 30 40 EKEB CCCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C 6942581 HOVSGWBSUYDSDX-OEAKJJBVSA-N 337.850 6.341 30 40 EKEB CSc1nc2ccc(/N=C/c3ccc4ncccc4c3)cc2s1 12602034 FEBBUMLEFAFFQI-RGVLZGJSSA-N 335.457 5.317 30 40 EKEB COc1ccc2ccccc2c1C[C@H](C#N)c1nc2ccccc2s1 39391589 DCUKDRXQVVFUFV-OAHLLOKOSA-N 344.439 5.308 30 40 EKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)C1 408564226 WMXXEPOJYGHOPC-FNDVETGQSA-N 339.401 5.807 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OCC 409113908 JKEDAZSAHBFXQY-UHFFFAOYSA-N 345.870 5.532 30 40 EKEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 409199030 ASQASEFNNCENSZ-UDWIEESQSA-N 344.252 5.381 30 40 EKEB Cc1[nH]c2ccccc2c1/C=N/N(Cc1ccccc1)c1ccccc1 5258104 ZYCHMHXITDFRSJ-LFVJCYFKSA-N 339.442 5.517 30 40 EKEB CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5293207 FIPGJPBKBWODTF-YRNVUSSQSA-N 333.258 6.187 30 40 EKEB biogenic,in-vitro CCOc1ccc(N/C(=N/c2ccc(C)cc2)c2ccccc2)cc1 5584781 GZYOGSKBOXVUMX-UHFFFAOYSA-N 330.431 5.584 30 40 EKEB CCCCCCCCOc1ccc(OCc2ccc(C#N)cc2)cc1 59663702 JEPVQTLXZXUZIK-UHFFFAOYSA-N 337.463 5.877 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(F)c(F)c(F)c1 101475358 FDIZRQHKIXQEAS-UHFFFAOYSA-N 342.445 6.988 30 40 EKEB CCCCCCCCCCCCCCCc1nnc(SC)s1 104099307 YLDVWCKZIXQHSL-UHFFFAOYSA-N 342.618 6.894 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCOCCCN 104325318 WLEVCAPGVKRUIK-KTKRTIGZSA-N 325.581 6.389 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCOCCCN 104325325 WLEVCAPGVKRUIK-MDZDMXLPSA-N 325.581 6.389 30 40 EKEB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881394 NOSSBHBMUGGCBX-OTAQKNNKSA-N 342.523 5.360 30 40 EKEB biogenic COc1ccc2c(c1)[C@@H](c1ccccc1)[S@@+](C)C(c1ccccc1)=C2 5181103 YTBOYHVGBKQNSN-ILBGXUMGSA-N 345.487 5.544 30 40 EKEB COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2ccc(C)cc2)cc1 5588059 QAFXILXOKKNHNZ-UHFFFAOYSA-N 346.430 5.203 30 40 EKEB COc1ccccc1/C=N/c1ccc2c(c1)ncn2C1CCCCC1 13583298 ZKYPZUOXHOKGTM-HYARGMPZSA-N 333.435 5.301 30 40 EKEB N#Cc1c(NC2CCCCC2)nc(-c2ccccc2)c2c1CCCC2 20827499 IYQXAXVVIXEIDS-UHFFFAOYSA-N 331.463 5.244 30 40 EKEB CCCCCCCc1ccc(/N=C\c2ccc(OCCC)cc2)cc1 104149510 ZKIXLCCWIJFEJL-CLCOLTQESA-N 337.507 6.739 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 219806585 LZTWRKZPCOAZCX-UHFFFAOYSA-N 337.366 5.236 30 40 EKEB C#CCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 408603079 APBIQKGLVQLZDP-UHFFFAOYSA-N 339.797 5.256 30 40 EKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 408851832 GNASMOLQRCFJLF-HAVVHWLPSA-N 346.430 5.185 30 40 EKEB CCOc1ccc(Cl)cc1/C=N\c1cccc(Cl)c1Cl 409098041 PFWPBZHJXJVARB-OCKHKDLRSA-N 328.626 5.796 30 40 EKEB CC(C)(C)C1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1 4933248 VIZPMAQETIKTJR-UHFFFAOYSA-N 347.812 5.758 30 40 EKEB CCc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1 12662799 UQRCZGRHLUILPP-BKUYFWCQSA-N 334.415 5.210 30 40 EKEB biogenic CC(=O)c1ccc(/N=C\C=C2\C=C(c3ccccc3)OC(C)(C)O2)cc1 85884056 VCJDIAWNVFLILL-OBUBVWICSA-N 347.414 5.299 30 40 EKEB CCn1c(Cl)c(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc21 96319271 UUNYAIGEPIMTPM-VAWYXSNFSA-N 334.806 5.082 30 40 EKEB O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 408625489 YIJPNJANGRLCSO-NTCAYCPXSA-N 348.829 5.815 30 40 EKEB Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409016912 LPFFFDLNTZWRBJ-UDWIEESQSA-N 343.904 6.612 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)cc2)c1C 409213357 SWVAPTKEJOIGDA-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CC(C)(C)[C@H]1CCc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1 4655605 SZJCKCCZTLSGAX-NSHDSACASA-N 328.506 5.495 30 40 EKEB O=C(/C(=C/c1cccc(Cl)c1)c1ccccc1)c1ccc(O)cc1 4963814 DRMUAKFZNBEHNS-XSFVSMFZSA-N 334.802 5.469 30 40 EKEB CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)c1ccccc1N=C2 13637161 SNUGZWSQPUUUOZ-UHFFFAOYSA-N 344.458 5.095 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1C 100116631 WCJODTBYXZXRBF-LPYMAVHISA-N 347.418 5.370 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCOS(C)(=O)=O 103562816 SFCVHVDJESFESU-KHPPLWFESA-N 346.577 6.000 30 40 EKEB COc1cccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)c1 12368255 NNXVIEWKGKMBNP-FIWMFUAISA-N 342.394 5.095 30 40 EKEB O/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1 13541012 QWMMGJJMBIYAMK-UQUFXHIGSA-N 342.442 5.076 30 40 EKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)c1 44844401 MVOFVUKVCWPXEC-CCEZHUSRSA-N 343.426 5.904 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O 4081362 DEFBNRDMYPYCCS-FNBOPYFCSA-N 332.572 6.673 30 40 EKEB biogenic CCc1ccc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2c1 23119211 DOYIHZPUSQYFGJ-UHFFFAOYSA-N 341.336 5.431 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(SC)c2)cc1 44842979 GOMMPQXNVGBFEG-OUKQBFOZSA-N 341.476 5.396 30 40 EKEB CCCCCCCCCCCCCC[C@H](C)c1cc(C)cc(C)c1O 95866696 TVWGHFVGFWIHFN-NRFANRHFSA-N 346.599 8.204 30 40 EKEB CCCCCCCCCC(=O)c1cc(CCCCCC)c(O)cc1O 100925767 VWPWRLLFFIQONK-UHFFFAOYSA-N 348.527 6.544 30 40 EKEB CCCCCCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 105346657 CLIGUCAWRZCFLQ-QGZVFWFLSA-N 329.484 5.450 30 40 EKEB Clc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 408850731 DGIOCABDOUHEGO-HAHDFKILSA-N 330.818 6.035 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 409238502 DSIVTCWGLSFHAS-PFRBSUFTSA-N 346.430 5.440 30 40 EKEB Cc1cc(OCc2ccccc2)ccc1C(=O)/C=C/c1ccccc1 575356854 FVRPLPIEHSCCHM-NTCAYCPXSA-N 328.411 5.470 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3oc(C)c(C)c3C#N)cc2)cc1 561463 ZNRNDWQTWZCYRN-ZMOGYAJESA-N 344.414 5.406 30 40 EKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 5649207 PYMUSXAHUXOKGH-KAMYIIQDSA-N 332.374 5.301 30 40 EKEB O=C(/C(=C\c1ccccc1)c1nc2ccccc2o1)c1ccccc1 6594009 GEWOTBHVOVAWPD-OBGWFSINSA-N 325.367 5.251 30 40 EKEB Oc1ccccc1/C=N\N=C(\C=C/c1ccccc1)c1ccc(F)cc1 16922729 IRGXMSVMSRIOPZ-QIZVARQCSA-N 344.389 5.068 30 40 EKEB N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)CCC2 89851098 UINQIGXQVBXGDN-UHFFFAOYSA-N 344.439 5.028 30 40 EKEB CCCCCCCCCCCCCCC#CC#CCCCC(=O)O 100304998 KTCYROIQAAHHIE-UHFFFAOYSA-N 332.528 6.339 30 40 EKEB in-vitro CCCCCCCCCCCCCCCCCN(C)C(=O)OCC 104041127 ONHDZNXLUYTFOK-UHFFFAOYSA-N 341.580 6.946 30 40 EKEB CCCCc1ccc(/N=C/c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 409013985 OIXIAMDFNLZGRD-LGVXEURYSA-N 343.898 6.611 30 40 EKEB Clc1ccccc1-c1ccc(/C=N/c2ccc3c(c2)OCCO3)o1 3191500 VMMLBXLFSNOHOA-CIAFOILYSA-N 339.778 5.122 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC 8277759 OBSQHUWSBINNRB-SRZZPIQSSA-N 348.229 5.073 30 40 EKEB Cc1cc(C)cc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 100116651 JKOWFXVJWACSBB-ZVHZXABRSA-N 330.475 6.078 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C\c3ccc4ccccc4c3)cc21 104201786 IZGNKGROTVSFCZ-ONUIUJJFSA-N 348.449 6.718 30 40 EKEB CCCCCn1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C 225886772 OGKOLYHVMNYJOY-UHFFFAOYSA-N 325.456 5.356 30 40 EKEB O=C(/C=C/c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 4276682 ZFZAYVVVWCCISH-ISLYRVAYSA-N 334.418 6.403 30 40 EKEB CCCOc1ccc2ccccc2c1/C=N/c1ccc(OCC)cc1 6942618 UNGJMGDTLGKSHA-XQNSMLJCSA-N 333.431 5.778 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(N(C)C)cc1 59523632 RHKATBONCFCKOR-UHFFFAOYSA-N 331.544 6.636 30 40 EKEB CCCCCCCCC/C=C/C(=O)N(Cc1ccccn1)C1CC1 100709255 SXNXUUMRDMENLZ-GXDHUFHOSA-N 328.500 5.270 30 40 EKEB CN1C(=O)C=C(/C=N\c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@@H]21 104131913 OYSCKFIELWMGSV-GCLCJRBZSA-N 344.458 5.013 30 40 EKEB Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(N3CCCC3)o2)cc1 408843525 FSHCXBKWFUQJGE-JCMHNJIXSA-N 333.435 5.038 30 40 EKEB C[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C#N)C1 2745405 BUKDTWZDQSZIFV-JTQLQIEISA-N 345.855 5.042 30 40 EKEB FC(F)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531287 KTPWLEAJYDBSRL-UHFFFAOYSA-N 346.086 5.260 30 40 EKEB CCc1ccccc1/N=C/c1cc(C)n(-c2c(C)cccc2CC)c1C 408960700 OATBUFSXKUBBNI-PCLIKHOPSA-N 344.502 6.278 30 40 EKEB C[Si](C)(C)C#Cc1ccc2c3c(ccc(C#C[Si](C)(C)C)c13)CC2 1857794625 FJUCWIBBLZBVIV-UHFFFAOYSA-N 346.622 5.396 30 40 EKEB N#Cc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 111385 LSDKZBOBPBBOIA-UHFFFAOYSA-N 331.215 5.388 30 40 EKEB CCN1/C(=C/C(=O)c2ccccc2)Sc2c1ccc1ccccc21 4458329 YEUHHHBVUBSOKZ-ZHZULCJRSA-N 331.440 5.496 30 40 EKEB CCCCCCCCCCCCCCCC[C@H]1CCCC/C1=N/O 100399354 URGCKECLMLWYMT-MUBPVYAGSA-N 337.592 7.878 30 40 EKEB Cc1ccc(-c2csc(N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1 100929985 SJVCVARTRNUBQA-HQBNKABXSA-N 339.508 5.733 30 40 EKEB CCCCCCCCCCCCCCCC(=O)N(CCC)CCC 104158155 VDQVFTRTOJJOGR-UHFFFAOYSA-N 339.608 7.116 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](C)O 104179311 IQMRMAPGRQYCKW-HXUWFJFHSA-N 341.580 5.745 30 40 EKEB Cn1/c(=N\N=C2\CCCC[C@@H]2C2CCCCC2)sc2ccccc21 108581602 WUPWCEHUDXDBIW-HYOAATEOSA-N 341.524 5.267 30 40 EKEB CCc1ccccc1/N=C1\S/C(=C/C=C/c2ccccc2)C(=O)N1C 408915845 QZBAKJYPJBRVIW-VJZPTHRXSA-N 348.471 5.039 30 40 EKEB Cc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 575358381 JIGBBPOGIAIUEK-UHFFFAOYSA-N 338.222 5.164 30 40 EKEB C=CCn1c2c(s/c1=N\c1ccc(C)cc1)CCc1ccccc1-2 352530 VXIVQSWZGJTFMI-DQRAZIAOSA-N 332.472 5.042 30 40 EKEB CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 570362 MEJDQGIXTQOVJM-CYBMUJFWSA-N 338.476 5.120 30 40 EKEB C=CCc1cc(/C(CC)=C(/CC)c2ccc(O)c(CC=C)c2)ccc1O 1724722 NUKHDOPGAIWQMC-DQRAZIAOSA-N 348.486 6.286 30 40 EKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1C1CCCC1 3187619 FWJFPNVUJYJZEE-UDWIEESQSA-N 345.284 5.733 30 40 EKEB Clc1ccc(-c2csc(N/N=C\c3ccco3)n2)c(Cl)c1 5181837 XSKCOAUCRQODPF-IDUWFGFVSA-N 338.219 5.156 30 40 EKEB N#Cc1c(-c2ccc(Cl)c(Cl)c2)c2c([nH]c1=S)CCCCC2 6505576 DBRBTHSVMFHZGY-UHFFFAOYSA-N 349.286 5.859 30 40 EKEB COc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)cc1Cl 11799655 MOWHFVHIHMRLIG-UHFFFAOYSA-N 342.609 5.106 30 40 EKEB Cc1ccc2oc(-c3cccc(/N=C\c4ccccc4O)c3)nc2c1 17206835 FDQQYKWULSCDCV-XKZIYDEJSA-N 328.371 5.259 30 40 EKEB N#CCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 82086928 MAZQKTFAGAMLCN-UHFFFAOYSA-N 341.439 5.293 30 40 EKEB CCCCCCCCCCCC(=O)NCCc1ccc(OC)cc1 97941849 PKJFTXBYDYBPMO-UHFFFAOYSA-N 333.516 5.275 30 40 EKEB CCCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 100013689 YGBTXJSZJSGZGE-UHFFFAOYSA-N 344.430 5.009 30 40 EKEB Cc1cc(/C=N\Nc2ccccc2)cc(C)c1OCc1ccc(F)cc1 408859658 YVXFYQOGZLMNHF-OYKKKHCWSA-N 348.421 5.468 30 40 EKEB N#Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3Cl)o2)cc1 409023580 HKUSNMRSVHSTRL-JJFYIABZSA-N 341.197 5.876 30 40 EKEB Cc1ccc(/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 3067376 JXMGKSSQZHDSBZ-PCLIKHOPSA-N 338.454 6.057 30 40 EKEB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)COCCC#N 4403842 KNDKKHHPKWWADZ-RJGXRXQPSA-N 339.523 5.751 30 40 EKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccccc1OC(F)F 6047884 CEMNWWHYVDSATK-CMDGGOBGSA-N 343.156 5.491 30 40 EKEB CCCCCCCCSc1ccc(-c2ccc(CC)cn2)cc1 8397790 QIGQHXFXSBUJIH-UHFFFAOYSA-N 327.537 6.764 30 40 EKEB C/C(=N/N=C(\C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 17379351 IORKPAAAIQLYFG-WTHRLWDASA-N 336.438 6.226 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 102957784 UNBJLPIFKMTVMQ-RGVLZGJSSA-N 340.766 5.567 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@H](C)CCOC(C)=O 229776233 LZGVQJDYLAUCGI-GFACEEGYSA-N 348.527 5.334 30 40 EKEB biogenic,in-vitro CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(C)=O)cc2)c1C 408967803 SFNGYZIHLDMULT-BUVRLJJBSA-N 344.458 5.610 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2C)cc1OC 409376723 AIXAYMKVMDIVFM-HKMXWPIPSA-N 331.843 5.585 30 40 EKEB CN(C)c1ccc(N2c3ccccc3Sc3ccc(C#N)cc32)cc1 1857794335 HGUKZYAQDNAEDA-UHFFFAOYSA-N 343.455 5.559 30 40 EKEB CCN1/C(=C/C=C2\C(=O)C=Cc3ccccc32)Sc2ccccc21 4520962 JZFXWYPVXGMIKL-NFJCNJJMSA-N 331.440 5.140 30 40 EKEB O=C(c1ccc(Cl)s1)[C@@H]1O[C@H]1c1ccc(Cl)cc1Cl 6861809 CGTUJJRYSORRQM-STQMWFEESA-N 333.623 5.031 30 40 EKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1F 8570896 MIGIIYZCDPNWQU-ZVHZXABRSA-N 349.405 5.472 30 40 EKEB Cc1ccccc1N[C@@H](C#N)c1ccccc1OCc1ccccc1 12649863 QWGLRIVLYBQPPT-NRFANRHFSA-N 328.415 5.251 30 40 EKEB CC(C)Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1 33373919 RQZOCBGMOCBGMA-YHYXMXQVSA-N 335.230 5.677 30 40 EKEB O=C(/C=C\c1cccc(Cl)c1)c1ccccc1OCc1ccccc1 33376645 CBESVJMWDYYCIO-YPKPFQOOSA-N 348.829 5.815 30 40 EKEB CCCCCCCCCCCCCCCCS/C(=N/C)NC 95902535 LFUDDCATZJRGGH-UHFFFAOYSA-N 328.610 6.406 30 40 EKEB CCCCCCCCCCCCS[C@H]1CCCCCC/C1=N\O 100933146 APXUOWHFSFALLF-NHFXJNLRSA-N 341.605 7.194 30 40 EKEB Cc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 408842672 BUGZQRSWGVYQNZ-MOSHPQCFSA-N 339.236 5.299 30 40 EKEB CCOc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)Cc1ccccc1-2 2180786 UTSFUHBURBJUGY-UHFFFAOYSA-N 346.817 5.244 30 40 EKEB C=C(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2572000 AYYISYPLHCSQGL-UHFFFAOYSA-N 334.413 5.435 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C#N)C1 2738680 MMVCUROMLVDAHJ-CQSZACIVSA-N 344.524 5.290 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(Cl)cc1Cl)C2 4578470 REBJMFRQDKSDHF-CXGLGPAZSA-N 340.250 5.352 30 40 EKEB C[C@H](/N=C(/S)Nc1ccc(OC(F)F)c(Cl)c1)C(C)(C)C 13684222 QEUBFJDMZOZIHS-QMMMGPOBSA-N 336.835 5.074 30 40 EKEB CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 36025403 MXMFBDWUIIDGDY-INACUINTSA-N 342.523 5.360 30 40 EKEB biogenic O=C1C(=Cc2ccc(-c3cccs3)cc2F)C(=O)c2ccccc21 84576901 CKRIRAGRBUGYFN-UHFFFAOYSA-N 334.371 5.017 30 40 EKEB CCCCCCCCCCCCCCCCCC1=N[C@@H](CC)CO1 104326425 KFWMAYFJAHUWBW-NRFANRHFSA-N 337.592 7.455 30 40 EKEB CCCCCCC[C@H]1C[C@H](OCC)O[C@H](CCCCCCC)O1 104338430 XPYMDCBCTBGJKN-XUVXKRRUSA-N 328.537 6.202 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(O)c3)c2C)cc1 408739687 ZLKMZXDYJSPSQK-WSDLNYQXSA-N 338.838 5.512 30 40 EKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCCC 409114026 KEWNNROAYCBRRL-UHFFFAOYSA-N 325.452 5.133 30 40 EKEB Cc1cc(Cl)ccc1Oc1nc(-c2ccc(F)cc2)ccc1C#N 3128342 MGZAAXJGZDYWMW-UHFFFAOYSA-N 338.769 5.514 30 40 EKEB Cc1cc2c(cc1C)N[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 18142527 ROWXQQNBXKOVQS-QFIPXVFZSA-N 346.474 5.525 30 40 EKEB FC(F)(F)c1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 104211080 DEORVBYUDUTIJH-OYKKKHCWSA-N 341.332 6.248 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccccc3OC)cc2C(C)=CC1(C)C 198159428 QGKJXFKTLMRYHF-BUVRLJJBSA-N 348.490 5.776 30 40 EKEB Cc1ccc(/N=C/c2ccc(N3CCCC3)cc2)c(Br)c1 408844566 DREMDXGERXCPKV-DEDYPNTBSA-N 343.268 5.108 30 40 EKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 409054698 VQCPSZZPNYIIFT-HYARGMPZSA-N 335.476 5.517 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3cc(C)ccc3C)cc2)cc1 409220703 DPNIFFHKSIPKEL-HAHDFKILSA-N 331.484 6.514 30 40 EKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 6962632 YHMZXMDXEYLXSE-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB CCCCCCCCCCCCNC(=O)COc1cccc(C)c1 8452301 MKFHDUBEYFUIAI-UHFFFAOYSA-N 333.516 5.411 30 40 EKEB C/C(=C\C(=N\N=C/c1ccccc1O)c1ccccc1)c1ccccc1 8637431 KGFIXCIEGNPCNP-QCDBHMOYSA-N 340.426 5.319 30 40 EKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)c1 12462718 RPFJFFIOMKCAPQ-LDADJPATSA-N 336.460 5.010 30 40 EKEB C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC 101261145 SBRJFDJPIAPOCA-ACESQOTJSA-N 335.491 5.186 30 40 EKEB O=C1C(O)=C/C(=N/c2ccc3c(c2)oc2ccccc23)c2ccccc21 103664965 OBNZGLLFFSYJGE-NKFKGCMQSA-N 339.350 5.345 30 40 EKEB CC(C)N1c2ccc(/C=N/Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223541741 QGZODIDLMMKJMS-BDFKGGEMSA-N 335.495 5.633 30 40 EKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 408775182 FNRPWCOWFYDHFQ-UUYOSTAYSA-N 343.257 6.152 30 40 EKEB CCCCCCCCC(=O)c1sc(Cl)c(Cl)c1Cl 3208096 QRQWEKAKMDGQGD-UHFFFAOYSA-N 327.704 6.642 30 40 EKEB C=C1C[C@@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@@H]12 5482550 LIEDCQPGOXPJSJ-PKOBYXMFSA-N 344.882 5.968 30 40 EKEB Cc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1 59461374 YEDAUUBYHRHFDE-XENGFHBVSA-N 336.416 5.185 30 40 EKEB N#Cc1cccc(/C=C\c2ccc(/C=C/c3ccccc3C#N)cc2)c1 83317295 JRVKAPLKKVWGKU-FSALDASDSA-N 332.406 5.771 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1C#N 100102753 UDHGUSHYZVOPRB-AFUMVMLFSA-N 344.389 5.335 30 40 EKEB O=C(/C=C/Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 409056943 FMIVQELRXRCGDA-OUKQBFOZSA-N 335.353 5.440 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 409199858 DULUZFYOBMLEBL-UCQKPKSFSA-N 345.398 5.023 30 40 EKEB N#Cc1c(/N=C/c2cccc(Br)c2)sc2c1CCCC2 231381 UEMKXMIZTLGMCW-VXLYETTFSA-N 345.265 5.012 30 40 EKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1C 408741459 PVXWYTSFLLYVNJ-BUVRLJJBSA-N 345.490 5.528 30 40 EKEB Cc1ccc(C)c(/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c1 408847376 UOMQGUZAIMENHK-UUYOSTAYSA-N 333.387 5.321 30 40 EKEB C=CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C 409200177 HIPVBNOLTKZGGL-OEAKJJBVSA-N 335.834 6.117 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(-c3ccccc3)cc1)C2 4577558 AOWSCJKKFKCUOW-SRHNDCNYSA-N 347.458 5.713 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(C(=O)O)cc3)c2C)cc1C 15225835 SPRNRAQRZSMTBG-QRVIBDJDSA-N 346.430 5.160 30 40 EKEB N#Cc1ccc(-c2ccccc2)nc1SCc1ccccc1Cl 33165 CUXWSENSMNTTBM-UHFFFAOYSA-N 336.847 5.566 30 40 EKEB Cc1ccc(O)c(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 220106 MRVLZKGGFYXQBY-LPYMAVHISA-N 344.439 5.728 30 40 EKEB CN(C)c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 361165 YKNLCPWTXQKDKQ-XQNSMLJCSA-N 330.431 5.082 30 40 EKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1O 1738442 KCUDSIGWLFXACW-UHFFFAOYSA-N 335.451 5.276 30 40 EKEB N#Cc1ccc(Cl)cc1/N=C/C(Br)=C/c1ccccc1 3266949 VVVZQQZLGDSAKX-CDNGDMCGSA-N 345.627 5.350 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl 6958063 WQBYJUDESKFIDK-AWQFTUOYSA-N 342.653 6.105 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)c(C)c1 8368830 ZBBWFOQTYJKXMM-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB Cc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 12032518 WQNIQJYVCIIFQS-UYRXBGFRSA-N 344.439 5.040 30 40 EKEB COc1ccc(OCc2ccccc2)c(C(=O)/C=C\c2ccccc2)c1 33376538 WUJSGBUWXCYWQK-OWBHPGMISA-N 344.410 5.170 30 40 EKEB Clc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2)cc1 59399028 MMFIQXADJABVSB-HYARGMPZSA-N 336.822 5.365 30 40 EKEB CC(C)/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916341 QCPOUGYGVCEUFB-UGSQQPQZSA-N 328.540 6.181 30 40 EKEB C=CCSc1nc(C2CC2)cc(-c2ccc(Cl)cc2)c1C#N 2250763 RIVKXGUANCRJPS-UHFFFAOYSA-N 326.852 5.429 30 40 EKEB CCCCCCOc1ccc(/C=N/Nc2ccc(F)cc2F)cc1 4923981 WRTYEJPXAQMJGD-HYARGMPZSA-N 332.394 5.370 30 40 EKEB Cc1ccc2nc(N/N=C/c3c(C)[nH]c4ccccc34)cc(C)c2c1 5006882 UDINHYWCAQUEFD-WSDLNYQXSA-N 328.419 5.087 30 40 EKEB CCOc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 5466714 RQVKQNTZDMLAGF-FYJGNVAPSA-N 347.443 5.294 30 40 EKEB CCCOc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 6943334 PZFQYOINZXTYMA-HAVVHWLPSA-N 331.415 6.018 30 40 EKEB CN/C(=N\c1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1 20405188 ISDIMSODHWROGE-UHFFFAOYSA-N 347.167 5.310 30 40 EKEB CCCCCCCCCCCC(O)CCCCCCCCCCC 86001456 PFMNFSXMCRSYMU-UHFFFAOYSA-N 340.636 8.189 30 40 EKEB endogenous,in-man N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCc1ccccc1Cl 96346544 IACPXOKJSCSGGB-JKSUJKDBSA-N 349.821 5.083 30 40 EKEB O=[N+]([O-])c1ccc(/C=N\c2ccc3c(c2)Cc2cc(Cl)ccc2-3)cc1 104389692 MBQJOWVROSITSF-UUYOSTAYSA-N 348.789 5.570 30 40 EKEB O/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 216852386 IMMRWCYTYVZQRY-FBHDLOMBSA-N 346.213 5.534 30 40 EKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408652414 IBHAHYIRCBWJQB-JLHYYAGUSA-N 345.442 5.307 30 40 EKEB CCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CC[C@H](C)C3 1610648 LAFXFMCHGBGBDD-AWEZNQCLSA-N 328.452 5.136 30 40 EKEB biogenic CCCCCCN(C(=O)Oc1ccccc1)[C@H](C#N)c1ccccc1 1647926 RMPDARWUDHEONV-HXUWFJFHSA-N 336.435 5.333 30 40 EKEB N#C[C@@H]1[C@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 2289105 VMCKZKAPFGYVEA-QFMQMNJBSA-N 328.459 5.493 30 40 EKEB N#C[C@H]1[C@@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 4764425 VMCKZKAPFGYVEA-DKRSJTHXSA-N 328.459 5.493 30 40 EKEB CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 97956544 MKNMHNBIWPBTTO-UHFFFAOYSA-N 342.527 5.748 30 40 EKEB CCCCCCC[C@H]1CCC/C1=N/OC(=O)Cc1ccccc1F 100165839 JQUHFWHRJZMUHG-VFOOBRQFSA-N 333.447 5.428 30 40 EKEB C=CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 216941535 ZRQFVLAKMJMMGJ-UHFFFAOYSA-N 339.394 5.398 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c(C)c1 408911953 PDALMEIGROGCRM-FSJBWODESA-N 346.430 5.190 30 40 EKEB Fc1cccc(Cn2ccc3cc(/C=N\Nc4ccccc4)ccc32)c1 409249063 RYPFLQSOEFQMPL-IWIPYMOSSA-N 343.405 5.275 30 40 EKEB COc1ccc(/C=N/CC[C@@H](c2c[nH]c3ccccc23)C(C)C)cc1 524733310 HBZOJJQRUDSLQG-IXOWOOARSA-N 334.463 5.425 30 40 EKEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(SC(F)F)cc1)C2 351937 DBYWPCBBWJUTBP-SGTLLEGYSA-N 337.435 5.322 30 40 EKEB C=C1N(CCCCCCCCCCCC)C(=O)OC12CCCCC2 2189000 ACDXFUCFCWNQSO-UHFFFAOYSA-N 335.532 6.576 30 40 EKEB CCCCCCCCNc1nc(Cl)nc(Nc2ccccc2)n1 3099660 JSOHVQLDXASPQO-UHFFFAOYSA-N 333.867 5.041 30 40 EKEB CCc1ccc2oc(-c3cccc(/N=C/c4ccccc4O)c3)nc2c1 5477396 QDKDFGTYIYPXRO-OEAKJJBVSA-N 342.398 5.513 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3cccc(F)c3)c2)c1 8368259 DNRJPHCAKIBUIM-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB CCCCCCCCCCCC[S@@](=O)C[C@@H](O)c1ccccc1 33355507 JGFMVVKNYQLJOQ-OFNKIYASSA-N 338.557 5.390 30 40 EKEB CCCCCCCCCCCCOS(=O)(=O)c1ccccc1 59331153 YRIUSKIDOIARQF-UHFFFAOYSA-N 326.502 5.313 30 40 EKEB CN(C)c1ccc(/C=N\c2ccc3c4c(cccc24)-c2ccccc2-3)cc1 104202391 IVEBVAUCQOOGPY-QQXSKIMKSA-N 348.449 6.304 30 40 EKEB CCCCCCCC[C@@H]1[C@H](CCCCCCCC(=O)OC)N1C 169805637 ZDSHEDCEQBPCFU-QSJYAPKHSA-N 325.537 5.323 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 219798394 RINVCKOIELBWOL-UHFFFAOYSA-N 338.259 5.524 30 40 EKEB C(/C=C/c1ccccc1)=N/CCCCCC/N=C/C=C/c1ccccc1 256071211 ATPFMBHTMKBVLS-LPTGMTROSA-N 344.502 6.115 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2cccc(C)c2C)cc1OC 409120171 YKNWRWXHUVZTBW-UHFFFAOYSA-N 337.463 5.217 30 40 EKEB C=C(C)COc1cc2oc(=O)c(CCCCCC)c(C)c2cc1Cl 1806210 RCBXDYAQBRIVKA-UHFFFAOYSA-N 348.870 5.833 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\Nc1nc(-c3ccccc3)cs1)C2 4192980 LPZRONVVQPPYEV-MFJBJLNASA-N 325.481 5.424 30 40 EKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 4491593 AHQOCUGXGYXCKG-CPNJWEJPSA-N 344.439 5.040 30 40 EKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc2ccccc12 4614707 GAVRNUNWQYXBAL-FCQUAONHSA-N 342.467 5.788 30 40 EKEB O=C(/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1cccs1 5696254 PFIIDTSZERCNGK-QBFSEMIESA-N 336.441 5.109 30 40 EKEB FC(F)(F)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 18068714 YKFGPXWFMFQQHT-ZVHZXABRSA-N 341.332 6.248 30 40 EKEB CCCCCCCCCCCCCC[C@H](/C=N\O)N1CCOCC1 100964948 HVVJEGKAZQEEMH-GOBJLOIFSA-N 340.552 5.238 30 40 EKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OC 409121404 VASCKJJYSXVXLL-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 8368760 KXFPTHRFKORTPT-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB O=C1/C(=C\c2ccc(F)cc2)CCCCC/C1=C\c1ccc(F)cc1 33718711 ZWJIORJVLRDMLC-KPNKYRRCSA-N 338.397 5.965 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/Cc3ccco3)cc1)C2 59501495 KJBJRERUQQWDOI-FSJBWODESA-N 330.431 5.036 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)c1 408761007 BVEFQCBVWVMTTE-LPYMAVHISA-N 347.418 5.370 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408934579 LXYGTFSMCFYPKT-QGNWGPJTSA-N 336.357 5.329 30 40 EKEB O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2Cl)ccc1Cl 409105910 JWRPPRCYJLAWSR-IDUWFGFVSA-N 329.570 5.306 30 40 EKEB Oc1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409244784 IRAFFBCZBZXFPU-ZVHZXABRSA-N 344.389 5.285 30 40 EKEB Cc1c(C(=O)Nc2cccc(C#N)c2)oc2c1ccc1ccccc12 3428943 JCROQJDPFQPJQR-UHFFFAOYSA-N 326.355 5.018 30 40 EKEB CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1 4649228 VEFXKVBNRAZUAN-VGOFMYFVSA-N 339.460 5.043 30 40 EKEB aggregator CCn1c(C)c(/C=N/Nc2nc3ccccc3s2)c2ccccc21 5569459 CRGFTAFCLJXINH-UDWIEESQSA-N 334.448 5.025 30 40 EKEB O=C(ON=C1c2ccccc2-c2ccccc21)c1cccc2ccccc12 32116623 SAIAMLLHEVEJHR-UHFFFAOYSA-N 349.389 5.430 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(F)ccc2Cl)cc1 44843164 JHRJBCGGOUGKOV-ZHACJKMWSA-N 347.817 5.467 30 40 EKEB COc1ccccc1/N=C\c1ccc(/C=N/c2ccccc2OC)cc1 101376879 OEGWMDQYYLHJLF-REPVBDINSA-N 344.414 5.205 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(OC)cc1 409115134 IOAPWYXOLMVXNZ-UHFFFAOYSA-N 338.234 5.179 30 40 EKEB COC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 1428429 DMTPGOPCSSZNAJ-AWEZNQCLSA-N 349.217 5.136 30 40 EKEB CCCn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 8812027 SUBZUKMBLGBOPB-OEAKJJBVSA-N 339.870 5.137 30 40 EKEB C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4963487 WAXZERYFXCBCDH-GNJRFXKQSA-N 340.507 5.249 30 40 EKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/Nc1ccccc1 6240639 RESLOSOOLIDUBQ-HYARGMPZSA-N 336.822 5.082 30 40 EKEB O=C1NC(=N\c2ccc(F)cc2)/C(=C/c2ccc(Cl)cc2)S1 32594542 JHTJQRBMGTUCJR-ZROIWOOFSA-N 332.787 5.007 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3F)c2c1 408771329 FNUKDJPNPDSRRH-ZVHZXABRSA-N 344.389 5.733 30 40 EKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCC 409115187 KVGDOCSLEHUFJL-UHFFFAOYSA-N 339.479 5.387 30 40 EKEB CN1/C(=C\C=N\Nc2nc3ccccc3s2)C(C)(C)c2ccccc21 5559931 XVQBQWCFKIUBAT-LBBNCXDASA-N 348.475 5.006 30 40 EKEB CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br 6963916 GNHRZCIUDLNFME-YBFXNURJSA-N 332.241 5.215 30 40 EKEB O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1Cl 100480101 ACFGLOAUQYKITF-IDUWFGFVSA-N 329.570 5.306 30 40 EKEB CCCCCCCCCCCCCCCC[n+]1ccc(CCO)cc1 104321386 ZFZMFQXZKBRDBL-UHFFFAOYSA-N 348.595 5.990 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408775086 YVBDKTCAVWODJW-FLVDCRJSSA-N 330.475 6.358 30 40 EKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 409201401 MKHKUSPFTBAHFY-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCOc1ccccc1/C=C1\CC/C(=C\c2ccccc2OCC)C1=O 4614457 HKVWBUFCNNHILG-MXWIWYRXSA-N 348.442 5.314 30 40 EKEB C=C(C)C(=O)Sc1[s+]sc2c1-c1cc(C)ccc1NC2(C)C 5003280 UYVYLDOIQWWDJG-UHFFFAOYSA-N 348.538 5.922 30 40 EKEB C[C@H](/N=C\c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 7037059 IRTLACODQRXYTJ-FDDMDDHYSA-N 336.306 6.017 30 40 EKEB O=C1/C(=C/c2cccc(Br)c2)c2cccc3cccc1c23 28294695 PLEDHRXQICZIHZ-GZTJUZNOSA-N 335.200 5.339 30 40 EKEB C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(N2CCCC2)o1 59138170 JXPWUJLSTSRDES-OQKWZONESA-N 331.419 5.052 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)c1 408762297 JYLCDQVAVVKOGN-BKUYFWCQSA-N 333.391 5.061 30 40 EKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccccn1 409241240 JRMOLQGJDYMHKW-IWIPYMOSSA-N 325.415 5.393 30 40 EKEB O=C(/C=C/c1ccc(F)cc1)c1ccccc1OCc1ccccc1 5279086 XIFOFPZBOLEZLQ-NTCAYCPXSA-N 332.374 5.301 30 40 EKEB COc1ccc2c(c1)[C@@H](c1ccccc1)[S@+](C)C(c1ccccc1)=C2 17025225 YTBOYHVGBKQNSN-NOZRDPDXSA-N 345.487 5.544 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(C)ccc2n1)c1ccco1 96314000 XEMMLVCGXIMOQP-BUVRLJJBSA-N 342.402 5.034 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 100662083 CVEFMJFNNJHMIX-FPLPWBNLSA-N 326.610 5.455 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 50211 BGHWGEYYNPQWOK-RGVLZGJSSA-N 340.766 5.567 30 40 EKEB CCCOc1ccc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)cc1 32641933 ZPLACEREXJKHIO-AWNIVKPZSA-N 346.426 5.533 30 40 EKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 408739480 CGALVKRYGXXIOE-IWIPYMOSSA-N 346.474 5.860 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)cc1 408762004 JAHAXZVZXXRYAN-ZMOGYAJESA-N 338.401 5.685 30 40 EKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccc(Cl)cc2)o1 408962407 RMTYWLWPJRYWSK-NHDPSOOVSA-N 339.778 5.357 30 40 EKEB Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1 409218605 WDFXGEFGMCNXJB-GMDDEGIZSA-N 342.533 5.891 30 40 EKEB CC(=O)c1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 1816161 VCJDIAWNVFLILL-XWIPEQAGSA-N 347.414 5.299 30 40 EKEB Cc1cc(/C=N/OCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 3670917 WURTYIBIKWBXER-LPYMAVHISA-N 338.838 5.298 30 40 EKEB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/O 4587568 SUIVXLJKUVOXKD-LYINNBJFSA-N 345.571 7.142 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1C 16711354 PNTDCPJMGVBJPD-VZCXRCSSSA-N 340.879 5.597 30 40 EKEB CC(C)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 100082148 IHIBDCKLMVZKPP-MFKUBSTISA-N 340.470 6.081 30 40 EKEB CCCCCCCCCCCCCC/C=C\[C@H](CC(=O)O)C(=O)O 100305526 AAHZZGHPCKJNNZ-WBYGGXTKSA-N 340.504 5.809 30 40 EKEB COc1ccc([C@H]2CC(O)=C/C(=N\c3ccc(Cl)cc3)C2)cc1 102650659 NOAJZSSLPSHYCQ-GICLCMKGSA-N 327.811 5.441 30 40 EKEB O=C(/C=C/Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 409052818 IICNQZNPOFIJFY-AATRIKPKSA-N 328.145 5.080 30 40 EKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(C)c1 59131 XGAHCHPBSWKFPU-HZHRSRAPSA-N 329.399 5.273 30 40 EKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 65600 WYNNYYTUGQCFQT-XQNSMLJCSA-N 331.415 5.415 30 40 EKEB Cc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20242115 YRTGVPGTNSLJSC-PCLIKHOPSA-N 329.487 6.213 30 40 EKEB CCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC 100303461 ZYECIWZQAIPVGR-UHFFFAOYSA-N 328.493 5.040 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=S)NN 104364964 HJDFNODKUDTBIV-UHFFFAOYSA-N 343.625 5.586 30 40 EKEB Fc1cccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)c1 409209290 FFUQULFRQXHECU-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB N#Cc1c(-c2cccs2)c2c([nH]c1=S)CC[C@@H](c1ccccc1)C2 377114 KWVLDPUENROASN-CQSZACIVSA-N 348.496 5.617 30 40 EKEB N#Cc1ccccc1CSc1ncc(-c2ccccc2)n1C1CC1 22473950 WKBULFPWCMJWDY-UHFFFAOYSA-N 331.444 5.049 30 40 EKEB CCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)O 100167146 BBTWPENPOIZEIL-MSUUIHNZSA-N 339.520 5.225 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C#N)C1 409090813 QKHMDGPEKXYWQY-CHOFVFFHSA-N 340.467 5.660 30 40 EKEB Cc1cccc(/N=C/c2ccccc2OCc2ccccc2Cl)c1C 409215170 XUICYSJMXZORDK-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB N#Cc1ccc(-c2ccc(OCCOc3ccccc3Cl)cc2)cc1 5406369 GYGLYDAILWJMSC-UHFFFAOYSA-N 349.817 5.336 30 40 EKEB Cc1ccc2nc(N/N=C\c3ccccc3)nc(-c3ccccc3)c2c1 33708281 IVULPGNTHVXZOV-HAHDFKILSA-N 338.414 5.051 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCOC(CO)CO 43910625 NOKZRPRTHPWZDV-KTKRTIGZSA-N 342.564 5.394 30 40 EKEB CCCCCCCOc1ccc(CNc2ccc(OC)cc2)cc1 100025303 QGIGLNGWEHFFLT-UHFFFAOYSA-N 327.468 5.657 30 40 EKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1C 105888183 DJIXHWMIKJGGOZ-OYKKKHCWSA-N 330.475 6.078 30 40 EKEB Cc1c(/C=N\c2ccc(C3CCCCC3)cc2)c2ccccc2n1C 408849673 XQBWTILRBNTQKH-JLPGSUDCSA-N 330.475 6.285 30 40 EKEB CCN(CC)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 408960369 LGIWLMAZBKRCBQ-HAVVHWLPSA-N 335.495 5.192 30 40 EKEB Cc1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c(C#N)c1C 1625174 VPIYJNUXQLMYJP-UHFFFAOYSA-N 344.245 5.188 30 40 EKEB C/C(=N\Nc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 4547633 HJZVALMFYUJSIZ-LPYMAVHISA-N 334.806 6.076 30 40 EKEB CCCCCCCCCCCCCCCC[n+]1ccn(CC(C)=O)c1 17433869 DBVXTXHHEDGFQV-UHFFFAOYSA-N 349.583 5.846 30 40 EKEB Cc1ccc(-c2nc(COc3ccc(C#N)cc3Cl)co2)c(C)c1 23007244 VNSBDYJACUQLAS-UHFFFAOYSA-N 338.794 5.063 30 40 EKEB Cc1cc(/C=N/c2ccc(Cl)cc2Cl)ccc1N1CCCC1 59104623 CUQQVUJCYJFSIL-CIAFOILYSA-N 333.262 5.653 30 40 EKEB CCCCCCCCCCCCCCCCNCCC(=O)OC 100016089 UUYAGWIWHCHYDK-UHFFFAOYSA-N 327.553 5.620 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=O)[C@H](C)O 104179314 IQMRMAPGRQYCKW-FQEVSTJZSA-N 341.580 5.745 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)cc1 408755194 QCPHTONTNAORAO-PCLIKHOPSA-N 344.502 6.531 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 1027980 BLVXCLRETJEBAB-WSDLNYQXSA-N 348.789 5.604 30 40 EKEB COc1cccc(/C=N/c2ccccc2)c1OCc1ccccc1F 6928151 CFHRXICXNTTYJA-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB C/C(=N/OC(=O)c1ccccc1Cl)c1ccc2c3c(cccc13)CC2 59520213 QAYBSVJRDGUUDR-QRVIBDJDSA-N 349.817 5.173 30 40 EKEB C[C@@H]1/C(=N\O)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 100839896 IXJNSRRYDLWBGA-SUSCCPCOSA-N 349.261 5.235 30 40 EKEB CCCCCCCCCCC/C(=N\O)c1ccc(O)c2ncccc12 103842497 HGVLSCJIZJAIFB-FCDQGJHFSA-N 342.483 6.040 30 40 EKEB CCCCCCCCCCCCCCCCN1C[C@@H]2CCCC[C@H]2C1 104377612 JSXFTQNDPFTADO-ZEQRLZLVSA-N 349.647 7.590 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408754664 LBEBSEILIOLIAB-OEAKJJBVSA-N 336.866 6.061 30 40 EKEB Cc1ccsc1/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1 63020 MYQIYOYWZHVBTB-CIAFOILYSA-N 339.847 5.692 30 40 EKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C)C2 3228532 PUDGGZZWHVHOOD-JHAVZTMOSA-N 333.460 5.285 30 40 EKEB CCc1ccc(-c2csc(N/N=C(\C)c3ccc(C)cc3)n2)cc1 4957146 JLXZNODAZVDHEO-PXLXIMEGSA-N 335.476 5.517 30 40 EKEB COc1cccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)c1 5210991 NYOTZDGFRFCTET-CCEZHUSRSA-N 344.410 5.170 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl 8084284 SIMXYJAIRRDFOU-CIAFOILYSA-N 332.230 5.318 30 40 EKEB CCCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 102559709 LGVALDSCINSAJR-UHFFFAOYSA-N 340.294 6.313 30 40 EKEB C(#Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1)c1ccccc1 3664738 LIRXPIGYUJYMBF-UHFFFAOYSA-N 331.418 5.815 30 40 EKEB O=C1/C(=C/c2ccc(F)cc2)c2ccccc2/C1=C\c1ccc(F)cc1 6455470 KYXLZZSYWPELOU-JFMUQQRKSA-N 344.360 5.629 30 40 EKEB COc1ccccc1Oc1ccc(N/C=C2/CCC[C@@H](C)C2=O)cc1 6714039 XTIMZFFERFLWSW-VZHUHSAUSA-N 337.419 5.172 30 40 EKEB Cc1ccc2cc(/C=N/Nc3ccc4ccccc4n3)c(Cl)nc2c1 20986232 QRWFXNNIENGLKR-WSDLNYQXSA-N 346.821 5.191 30 40 EKEB CCCCCCCNCc1ccccc1OCc1ccc(Cl)cc1 102568368 RKNPNEPBBXZGDV-UHFFFAOYSA-N 345.914 5.979 30 40 EKEB C#CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 409117179 KZCQSTNIRZRDGL-UHFFFAOYSA-N 329.399 5.103 30 40 EKEB C[C@@H]1CCC[C@@H](C)N1CC#CCC(c1ccccc1)c1ccccc1 1817313 UYHHYVBPVDGICP-NHCUHLMSSA-N 331.503 5.475 30 40 EKEB Clc1ccc(/N=C/c2ccc(Br)s2)cc1Cl 4178120 AFUXGJUOZQVHLB-GIDUJCDVSA-N 335.053 5.568 30 40 EKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2CN=[N+]=[N-] 4887577 RRLARZXJNYWENI-FCRAODNPSA-N 327.472 5.445 30 40 EKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1 6048109 IVKOBSGBJLVXCP-CMDGGOBGSA-N 343.156 5.491 30 40 EKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 8518826 QPUVTVKOCYGMNV-BUHFOSPRSA-N 340.382 5.028 30 40 EKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 14257489 RSQIEOMXYIHIIS-PXLXIMEGSA-N 335.476 5.517 30 40 EKEB COc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1OC 18118199 RKFNYVXFWMZKNU-OEAKJJBVSA-N 329.399 5.026 30 40 EKEB CCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 35586015 OOLVUYRTDFJMQZ-RCCKNPSSSA-N 325.408 5.095 30 40 EKEB CCCCCCC/C(=N\O)c1cc(C)cc(Br)c1O 100923522 GBMODYPHRCZEPK-SAPNQHFASA-N 328.250 5.002 30 40 EKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3[C@@H]1CC=CCC1 140591 SCKBSNSAYTXWKL-QVKFZJNVSA-N 344.458 5.416 30 40 EKEB O=C1SC(c2ccccc2Cl)=N/C1=C\c1ccc(Cl)cc1 5002635 XCPJHERTXAFOQM-ZROIWOOFSA-N 334.227 5.055 30 40 EKEB Clc1cccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1 5417300 YTINLWXUNRUPKO-CNHKJKLMSA-N 334.033 5.746 30 40 EKEB Oc1ccc(/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 16523989 FJDWCVARPJEBGJ-BKUYFWCQSA-N 345.427 5.057 30 40 EKEB O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 32272665 LKRCMMSGFQSAPC-NTMALXAHSA-N 327.210 6.043 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccc(O)c3)cc1)C2 100102529 UPFGBZGPNOGBCB-ZMOGYAJESA-N 342.442 5.280 30 40 EKEB COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(Cl)c3)nc1-2 103583902 SZOIOSRFTDRUKZ-JMIUGGIZSA-N 340.835 5.127 30 40 EKEB FC(F)(F)c1cccc(-n2cccc2/C=N/c2cccc(Cl)c2)c1 408933432 JPBWYEHGNGSXOW-FSJBWODESA-N 348.755 5.900 30 40 EKEB C#CCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 409202635 SLKVJIHCSUMJLI-QJOMJCCJSA-N 327.383 5.242 30 40 EKEB O=C(/C=C\c1cccc2ccccc12)c1ccc(Br)cc1 5722626 SMKOZOJSIIZLHV-RAXLEYEMSA-N 337.216 5.498 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OCC 6959792 WWUULNNAAHBYGY-LPYMAVHISA-N 343.854 5.671 30 40 EKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)CC 100307110 OMARWWFUVFAGSK-NRFANRHFSA-N 340.592 7.590 30 40 EKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968589 XQOVCSVCKBYFKF-LFVJCYFKSA-N 345.490 5.838 30 40 EKEB C[C@@H](Nc1oc(/C=C/c2ccc(F)cc2)nc1C#N)c1ccccc1 20446668 GOMDHXKJBIKNNT-BRADTZPFSA-N 333.366 5.029 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2)cc1 44843116 SAXQZKCVKRCVIV-VAWYXSNFSA-N 329.827 5.327 30 40 EKEB O=C(/C=C/C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Cl)cc1 55112188 AJCXVPFEEKLXJT-VAWYXSNFSA-N 349.861 5.142 30 40 EKEB CCCCCCCCCCCC(=O)C1=C(O)C[C@@H](CCC)OC1=O 100393267 VIEQPAAMSLJMCL-MRXNPFEDSA-N 338.488 5.404 30 40 EKEB biogenic,in-vitro CCCCCCCCCCCn1c(-c2ccccc2)nc2ccccc21 50861310 KRZHWIXZWOJTRG-UHFFFAOYSA-N 348.534 7.234 30 40 EKEB C=CCc1cc(/C=N/c2ccc([C@H](C)CC)cc2)cc(OCC)c1O 59250465 YRPKWQLDQGJOKR-LGVXEURYSA-N 337.463 5.784 30 40 EKEB CCCCCCCCCCCCC(=N\O)/C(=N/O)c1ccccc1 100932731 CXOBPNQNOVHSGX-FLFKKZLDSA-N 332.488 6.006 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl 409120926 USISVGKMVPIUDY-UHFFFAOYSA-N 336.262 5.733 30 40 EKEB C=CCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 2061907 IGHUIJWDSXGKHX-UHFFFAOYSA-N 342.435 5.314 30 40 EKEB C(=N/n1c(SCc2ccccc2)nc2ccccc21)\c1ccccc1 4114757 UXXIRNNQMKZUST-PXLXIMEGSA-N 343.455 5.211 30 40 EKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 5328110 RJGYJZHKLBNGTH-GFZUDYDFSA-N 337.290 6.182 30 40 EKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 5824482 SRHKGEZDUNWYSJ-BKUYFWCQSA-N 344.366 5.118 30 40 EKEB biogenic C=CCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C 8367955 GVIMKJXYGNXIAH-UDWIEESQSA-N 344.252 5.381 30 40 EKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C)o1 27830059 HRUVIZBUNVNFRZ-YBFXNURJSA-N 331.828 5.201 30 40 EKEB C=CCOc1ccc(-c2nnc(-c3oc4ccccc4c3C)o2)cc1 28627980 VJUYOLYRWSNPPV-UHFFFAOYSA-N 332.359 5.023 30 40 EKEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccccc1Cl 35026068 ZYTGZTFHIIKMAW-UHFFFAOYSA-O 327.860 5.286 30 40 EKEB O=C(/C=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 408619087 FYIMRPGLBKRGAS-CCEZHUSRSA-N 348.829 5.815 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 408967656 RLDIGVQRJHMWPP-LFVJCYFKSA-N 330.475 5.970 30 40 EKEB CC(C)Oc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O 409368361 ZQTAQZUOLHQVFQ-NBVRZTHBSA-N 328.411 5.449 30 40 EKEB Cc1ccc(CN/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 4663922 ATIGAWCSYMZKOG-FOCLMDBBSA-N 327.427 5.148 30 40 EKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2Cl)cc1 8570912 KIQFWYCOHBQKJV-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCCCCC(/C=N/c1ccccc1C(=O)OC)=C\c1ccccc1 16990116 YQIWYASBSBXASC-MRDIXRINSA-N 335.447 5.839 30 40 EKEB O=C(/C(=C/c1ccsc1)c1nc2ccccc2[nH]1)c1ccccc1 48333112 KPSRBORSTIOFSX-VBKFSLOCSA-N 330.412 5.048 30 40 EKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4ccccc4O)c3)nc2c1 100503077 OTJMVCOZALHJAY-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB Cc1nc(SCc2ccccc2Cl)c(C#N)c2c1CCCC2 86780 TWKXZPDTNHMMNV-UHFFFAOYSA-N 328.868 5.086 30 40 EKEB C=CC[n+]1c(Nc2ccc(Cl)cc2)sc(C)c1-c1ccccc1 5578507 HLAYZMZBFOIVOI-UHFFFAOYSA-O 341.887 5.594 30 40 EKEB CC(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 6257002 IYIHLSNDLGQNDU-DHZHZOJOSA-N 329.237 5.469 30 40 EKEB O=C(c1ccc(Cl)s1)[C@H]1O[C@H]1c1ccc(Cl)cc1Cl 6861810 CGTUJJRYSORRQM-QWHCGFSZSA-N 333.623 5.031 30 40 EKEB Cc1cccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1C 32100220 VZOYHPMBTRYRFP-FOCLMDBBSA-N 327.427 5.779 30 40 EKEB CCCCCCCCCCCCS(=O)(=O)Nc1ccc(O)cc1 100922118 TUVHIIKEXZRZGW-UHFFFAOYSA-N 341.517 5.055 30 40 EKEB Oc1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)cc1 2220332 SXBOAJQKZSLWSJ-RCCKNPSSSA-N 342.508 5.819 30 40 EKEB C/C(=N\OCc1ccccc1F)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084835 FDRSCKXBTVRVSF-VSJIRZMASA-N 325.427 5.645 30 40 EKEB CCc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 33958958 LTAVCTDYYXWKQC-RGVLZGJSSA-N 341.867 5.472 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3C)c2C)c1 408763795 UWCMRMLAARNPLH-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCc3ccccc32)c1 3204524 HDWWNBHEKQCBQA-NRFANRHFSA-N 348.490 5.332 30 40 EKEB S=c1sc2c(s1)S/C(=N/Nc1ccccc1)CS2 5603802 NUQWSSCQAVDBSP-MDWZMJQESA-N 328.534 5.162 30 40 EKEB Brc1cccc2c(C=NNc3ccccc3)cccc12 245238907 CKTPAHXEVYCZCQ-UHFFFAOYSA-N 325.209 5.048 30 40 EKEB O/C(=N/CCC1=CCCCC1)C1CCC(/N=C(/O)C2CCCC2)CC1 330032683 QTHPYIRGBPSWON-UHFFFAOYSA-N 346.515 5.539 30 40 EKEB Cc1ccc(O)c(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1 354807 NUTDLMLLAKQQDF-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CCCC[C@@H]1CC[C@@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 2320876 CDKYACJXOAVVHP-DYESRHJHSA-N 347.458 5.851 30 40 EKEB [N-]=[N+]=Nc1ccc(/C=C/C(=O)c2c3ccccc3cc3ccccc23)cc1 12437117 IUVBFSZKOKORRX-SDNWHVSQSA-N 349.393 6.831 30 40 EKEB CCCCCCCCCCCCCCS/C(=N/CC)NCC 95902549 WJDCUDWSLFVTJF-UHFFFAOYSA-N 328.610 6.406 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 137779048 YNBZGMIZZLTJKN-PCLIKHOPSA-N 344.502 6.278 30 40 EKEB C=CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 408577148 WYTGAMWXHCSIHI-CYBMUJFWSA-N 347.867 5.024 30 40 EKEB CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408783749 QMTWFQNYDTVVHT-LPYMAVHISA-N 338.451 5.706 30 40 EKEB Fc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1 409100098 UTFCWRPRHVLXEO-NHDPSOOVSA-N 337.225 5.483 30 40 EKEB Cc1ccc(N=Nc2ccc(N/C=C3\CCCCCC3=O)cc2)cc1 409358835 LODGJWGMPHRJOC-IWRSFNRFSA-N 333.435 6.239 30 40 EKEB CCOc1ccc(/N=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 3118184 FYAJXYXSECVSGW-HYARGMPZSA-N 333.387 5.299 30 40 EKEB Clc1ccc(Sc2ccc(/C=N/Nc3ccccc3)o2)cc1 4738870 BVYRARPQDANEAN-XDHOZWIPSA-N 328.824 5.530 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 5210601 CWHUJEIGYHNQKQ-DTQAZKPQSA-N 344.410 5.170 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCCO2 5514229 WCGODHROQSBCER-ZZXKWVIFSA-N 349.213 5.051 30 40 EKEB S=C(N/N=C1/CCCC[C@@H]1C1CCCCC1)Nc1ccccc1 103454291 IKORBEMWYVAYCK-VVDBFAKWSA-N 329.513 5.100 30 40 EKEB C=CCc1ccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 16903948 SYRXUHNDEQUDST-GFCCVEGCSA-N 342.826 5.093 30 40 EKEB biogenic CCCCCCCCCCCCCCCCSC(=S)N(C)C 100310236 WDLNSLNWKYSTQO-UHFFFAOYSA-N 345.662 7.047 30 40 EKEB Cc1cc(C)cc(/N=C\c2ccc(/C=N/c3cc(C)cc(C)c3)cc2)c1 101376530 VVEYLYLOEXZSFK-WFOJNGAISA-N 340.470 6.421 30 40 EKEB Cc1oc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C#N)c1C 408587880 HPWXDYHSXKYPJF-FOKLQQMPSA-N 335.382 5.065 30 40 EKEB Cc1cc(N2CCCC2)ccc1/C=N\c1cccc(Cl)c1Cl 408960241 KBXQKHGAMOGNIV-MTJSOVHGSA-N 333.262 5.653 30 40 EKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(C#N)cc2)cc1 2584528 JWMSIRWJOWLGNS-NCELDCMTSA-N 348.490 6.438 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 5279085 ZPJNRYQGWSFIDM-NTCAYCPXSA-N 348.829 5.815 30 40 EKEB N/C(=N\Cc1ccccc1)SC(c1ccccc1)c1ccccc1 7666008 CBJXLDIOXXHXOZ-UHFFFAOYSA-N 332.472 5.024 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl 8367841 MCNQGVOWAAJETB-SRZZPIQSSA-N 332.230 5.373 30 40 EKEB Clc1ccc2nc(/N=C/c3ccco3)cc(-c3ccccc3)c2c1 32616772 UBWPDSLXTLLTIU-LPYMAVHISA-N 332.790 5.899 30 40 EKEB CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(C(C)C)cc3)cc21 198147460 YJQMPKASFUFMNN-BUVRLJJBSA-N 332.491 6.192 30 40 EKEB N#CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 225295326 MQTVWPFFUFCUKJ-UHFFFAOYSA-N 344.245 5.238 30 40 EKEB Clc1ccc(-n2cccc2/C=N/c2cccc3ccccc23)cc1 408857870 NEFXGFNPMPKSBH-HZHRSRAPSA-N 330.818 6.035 30 40 EKEB CCCOc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O 409373705 ZLKCJSOBJJRELY-OBGWFSINSA-N 328.411 5.451 30 40 EKEB Cc1cc(O)c(/C=N/c2cccc(Cl)c2Cl)c(C)c1Cl 226428 GDXYFMXCTWVBFY-FBCYGCLPSA-N 328.626 5.720 30 40 EKEB CCCCCCCCCCN1C(=S)c2cccc3cccc1c23 1908447 BICKGINUAZOSTJ-UHFFFAOYSA-N 325.521 6.476 30 40 EKEB O=C(c1ccc(Cl)s1)[C@H]1O[C@@H]1c1ccc(Cl)cc1Cl 6861807 CGTUJJRYSORRQM-CHWSQXEVSA-N 333.623 5.031 30 40 EKEB CCCCCCC(/C=N/N=C\c1ccccc1O)=C\c1ccccc1 16919622 UJUCPIUMNCWTEH-WXPOLXEDSA-N 334.463 5.851 30 40 EKEB O=C(/C=C/C1=C[C@@H]([C@H]2CCCCCN2)c2ccccc21)c1ccccc1 98211561 HDTMITJODROCMS-VGKGJIMCSA-N 343.470 5.139 30 40 EKEB CCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1 100694437 USAFAYBLWJSOFY-UHFFFAOYSA-N 339.545 5.194 30 40 EKEB CCCCCCCCCCCCc1ccc(C(=N\O)/C(C)=N/O)cc1 100931335 ZXXBSRWHCLUSII-AECZSIAKSA-N 346.515 6.178 30 40 EKEB CCCCCCCCCCCc1cc(=O)n(-c2ccccc2)n1C 1601764 ACTZLHMSBHAJQG-UHFFFAOYSA-N 328.500 5.249 30 40 EKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(C)c3C)n2)cc1 17051815 ZEFFODBWYMZVIO-MOHJPFBDSA-N 346.459 5.075 30 40 EKEB CSC(SC)=C1CC/C(=C\c2ccc(Cl)cc2Cl)C1=O 51329779 XRQKNWAGRLTKOL-JXMROGBWSA-N 345.316 5.677 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 100160539 NOJHOMKYKQKMAV-HYARGMPZSA-N 347.418 5.315 30 40 EKEB CSc1ccccc1/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408759798 LVASUGJVRZJXRA-HYARGMPZSA-N 334.488 5.875 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1C 409203693 XGGHNUNSPBUQOG-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4ccccc4Cl)ccc3o2)cc1 218749 ZSGYRMDRFAZPKO-YDZHTSKRSA-N 346.817 6.207 30 40 EKEB CCCCCCCCCCCCCCCC[N+]1(C)CCOCC1 49680323 XVFJNVMXXPKZIH-UHFFFAOYSA-N 326.589 5.945 30 40 EKEB CCCCCCCCCC[C@H](C(=O)c1ccccc1)N1CCCCC1 100693312 HRIOXDQTKYYRLE-JOCHJYFZSA-N 343.555 6.255 30 40 EKEB CCCCCCCCSCC(=O)Nc1ccc(Cl)c(Cl)c1 100977422 NVZOFUFXAIUHEX-UHFFFAOYSA-N 348.339 6.026 30 40 EKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCC 409115871 HYSSCMRJJLSXHJ-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2cccc(C)c2)cc1OCC 409117234 NTPVGJMTHSWTOU-UHFFFAOYSA-N 337.463 5.299 30 40 EKEB CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 2074059 FSWOUFXVCYTVLP-UHFFFAOYSA-N 330.456 5.708 30 40 EKEB C(#Cc1ccc(/C=N/c2ccc3ccccc3c2)cc1)c1ccccc1 3077447 ICKPBPURGIWREG-LGUFXXKBSA-N 331.418 5.990 30 40 EKEB CCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 7278351 YIHSSUJCLJBRLX-UHFFFAOYSA-N 326.399 5.040 30 40 EKEB O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 71977095 SSBPGXFOCGKRLN-FNORWQNLSA-N 329.585 5.682 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(C)c2)cc1OC 409375336 JGFOPYSVBIRKJV-XIJPWPHISA-N 349.833 5.724 30 40 EKEB CCCCCCCCCCC/C=C\C(C)(C)/C=C/CCCC(=O)O 33185490 AGKRHAILCPYNFH-HLSPZBSESA-N 336.560 7.301 30 40 EKEB CN1/C(=C/C=C2\CCc3ccccc3C2=O)C(C)(C)c2ccccc21 36294015 DTPLBBMEWNNVFO-LBNBPBRMSA-N 329.443 5.053 30 40 EKEB C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 95682136 RUVAVKKRUIZRRS-UHFFFAOYSA-N 346.086 5.116 30 40 EKEB in-vitro Cc1ccc(/C=N/Nc2nc(-c3cccc4ccccc34)cs2)cc1 5548540 RIVQSXDBJPVMFR-LPYMAVHISA-N 343.455 5.718 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC 6958085 QMZTXUSEVITPMD-KEBDBYFISA-N 338.234 5.460 30 40 EKEB CN(C)c1ccc([C+](c2cccs2)c2ccc(N(C)C)s2)s1 16186585 VTKCJSRIYJADFS-UHFFFAOYSA-N 347.554 5.022 30 40 EKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1F 17124083 VSKVGQGUCVBJKJ-NTCAYCPXSA-N 332.374 5.301 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Cc2ccccc2)c1C 59105004 JKQNWLNESAIQTM-LFVJCYFKSA-N 330.475 5.584 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/C3CCCCC3)c2c1 59513152 UEBQFZBSLQSVOB-HZHRSRAPSA-N 332.447 5.595 30 40 EKEB CCCCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1 100925747 WAUSDVTUNYNASN-HEHNFIMWSA-N 335.488 5.890 30 40 EKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)C1 408564227 WMXXEPOJYGHOPC-XTZCOPOCSA-N 339.401 5.807 30 40 EKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cccc(Cl)c2Cl)C1 408564243 XCWNLQUBYGCZIK-YLSINNKHSA-N 340.294 6.095 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(O)cc3)c2c1 408782783 YZWYEUINGHIPLP-UCQKPKSFSA-N 342.398 5.300 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409109093 XRHXAJDERGDOBF-CSUZIONRSA-N 336.479 5.096 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 409219190 NRGSOGLMRZLKDV-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(Cl)cc1 226599 XONFYHNMNPCVNI-REZTVBANSA-N 345.023 5.212 30 40 EKEB CCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 2387899 IWFOILRAGCRDJN-UHFFFAOYSA-N 331.463 6.017 30 40 EKEB C[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C#N)C1 2745406 BUKDTWZDQSZIFV-SNVBAGLBSA-N 345.855 5.042 30 40 EKEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1cccc(Cl)c1 3128329 RFHUWGLFBMOZQK-UHFFFAOYSA-N 340.810 5.564 30 40 EKEB CCCSc1nc2c(c(C(F)(F)F)c1C#N)CCCCCC2 4620404 XXCCYHLOOAFEQX-UHFFFAOYSA-N 328.403 5.133 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCO 59676555 MUHFRORXWCGZGE-MDZDMXLPSA-N 326.521 5.559 30 40 EKEB in-vitro O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 70038353 JLINVUPDEDFAEP-FNORWQNLSA-N 349.367 5.452 30 40 EKEB N#Cc1cccc(/C=C\c2ccc(/C=C\c3ccccc3C#N)cc2)c1 83317293 JRVKAPLKKVWGKU-ZJQKOVPWSA-N 332.406 5.771 30 40 EKEB CCCCCCCCCCCCCCCCNC(=O)CC(C)=O 100071517 NDSQLYUWCXRSCB-UHFFFAOYSA-N 325.537 5.563 30 40 EKEB N#Cc1c(-c2ccc(Cl)cc2Cl)c(-c2ccccc2)c[nH]c1=N 408978789 KFAFGRIWGQSMGW-UHFFFAOYSA-N 340.213 5.007 30 40 EKEB O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)Sc2ccccc21 340283 YFVQQQAAVGIXKX-WOJGMQOQSA-N 338.815 5.930 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC 6958136 QPMLVSAFUOKTFT-KEBDBYFISA-N 338.234 5.460 30 40 EKEB CCCCCCCCCCCCCCCCN[C@H](C)c1ccccc1 104186152 LYOOOZFJRYISTI-HSZRJFAPSA-N 345.615 7.819 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/Nc3ccccc3)cc21 223474636 MSFHJPLPGLEXOV-HZHRSRAPSA-N 333.479 5.543 30 40 EKEB N#Cc1ccc(CSc2ncc(-c3ccccc3)n2C2CC2)cc1 12548153 PGKINWRPNFPWGM-UHFFFAOYSA-N 331.444 5.049 30 40 EKEB CCCCCCCCCCCCOc1ccc(C(=O)OC)c(O)c1 100926012 GLQKRDVFGPWHCW-UHFFFAOYSA-N 336.472 5.479 30 40 EKEB CCCCCCCCNCc1cccc(OCc2ccc(F)cc2)c1 102561949 BFNOVHUVXUHKKD-UHFFFAOYSA-N 343.486 5.855 30 40 EKEB C=CCOc1cccc(NC(=O)c2ccccc2SC(C)C)c1 408680884 SIZFTRPFECQCJV-UHFFFAOYSA-N 327.449 5.004 30 40 EKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc2ccccc2c1O 12360343 CEHKSVMKXCKXAY-ZHACJKMWSA-N 343.209 5.748 30 40 EKEB biogenic,in-vitro CC(=O)Nc1ccc2c(c1)/C(=N/c1cccc(C)c1)c1ccccc1-2 22247821 CKMSWANDVYFCMW-ZNTNEXAZSA-N 326.399 5.103 30 40 EKEB C[C@H]1C/C(=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 33880603 LRQLZZCNRGVQPM-IRTGHPOMSA-N 343.349 5.228 30 40 EKEB O=C(/C=C\c1ccccc1)c1ccc(Cl)cc1OCc1ccccc1 95934651 LJYHBDMOEFLGAD-KAMYIIQDSA-N 348.829 5.815 30 40 EKEB Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 408973249 ACTBTYYSTGLLCM-YDZHTSKRSA-N 342.354 5.730 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 59104693 LUJCPIUSXLEXLC-KHCKMINHSA-N 345.490 5.807 30 40 EKEB CCO/C=N\c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccccc1 100350657 WCZDAVCCBYZRSX-UCQKPKSFSA-N 349.821 5.366 30 40 EKEB Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 102422503 IKJOVEFSZOHWLL-CIAFOILYSA-N 338.794 5.244 30 40 EKEB CCCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccccc1 206467183 PVUHORYBBZZBAQ-HOOMGSECSA-N 336.460 5.009 30 40 EKEB FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)cc2)cc1 45815 CONDWKZBVSCGSF-DJKKODMXSA-N 344.130 5.098 30 40 EKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)cc1 4491589 GEQXLXDIQXGOSB-LDADJPATSA-N 336.460 5.010 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 8368132 TZPXUOIUZQQTEO-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(C)cc3C)c2C)c1 100116510 DCFBDWBJFJGXRQ-ZVHZXABRSA-N 330.475 6.078 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(O)c1 103593960 MCRRTUUALFJOPY-BUHFOSPRSA-N 329.399 5.176 30 40 EKEB C1=C(c2ccccc2)/C(=N\c2ccccc2)S/C1=N\c1ccccc1 104270797 ABFGFXFRBPRUDO-MMUCEYJRSA-N 340.451 6.277 30 40 EKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1cccc(Cl)c1 408757954 DZWPKDYRROWBNM-UUYOSTAYSA-N 326.802 5.637 30 40 EKEB N#C[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1872815 RONHPHPSMUFWPP-FGZHOGPDSA-N 325.411 5.351 30 40 EKEB Clc1ccc(/C=N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1 17288203 VOXSRYYLVMOEEL-NORIJPHCSA-N 346.044 5.753 30 40 EKEB Cc1ccc(-n2nc(C)c(/C=C3\Sc4ccccc4C3=O)c2C)cc1 20034050 BLHNHTGFSITHDU-NDENLUEZSA-N 346.455 5.127 30 40 EKEB CCCCCCCCCCCCCCCCCC[C@H](N)C(=O)O 38154254 NHWDPCHMQMJMRM-IBGZPJMESA-N 327.553 6.050 30 40 EKEB CCCCCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1 100153258 OAKOJBHXXPUSBR-UHFFFAOYSA-N 341.451 5.297 30 40 EKEB CCO/C=N\c1c(C#N)c(-c2ccccc2)cn1-c1ccc(Cl)cc1 100350673 VCDXVPHQCNBRQN-UCQKPKSFSA-N 349.821 5.366 30 40 EKEB CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@@H](C)CC1(C)C 198100384 NTRWRIBRDVZOAE-LEBHPONQSA-N 348.534 6.673 30 40 EKEB N#Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 558668 FJNIOUQNIUDOGF-ZRDIBKRKSA-N 348.789 5.124 30 40 EKEB Cc1ccc(/N=C/C=C/c2ccccc2[N+](=O)[O-])c(Br)c1 3233476 JILBRAMLVFEJGG-SRFURKKRSA-N 345.196 5.081 30 40 EKEB N#Cc1nc(-c2ccc(F)cc2)oc1Sc1ccc(Cl)cc1 28405330 OPCYECODUWYXFD-UHFFFAOYSA-N 330.771 5.157 30 40 EKEB C[C@@H]1C/C(=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 33880602 LRQLZZCNRGVQPM-TYYASITHSA-N 343.349 5.228 30 40 EKEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCCC2)o1 59138674 CWCUZUUEDLXTPE-CJLVFECKSA-N 331.419 5.374 30 40 EKEB O=C(O/N=C1/CCCC/C1=C/c1ccccc1)c1ccc(Cl)cc1 104281729 RVMAFJBKFCVPEA-CFDXPTNASA-N 339.822 5.510 30 40 EKEB CCc1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 409057268 JLLLNVQTKBODMO-WUKNDPDISA-N 327.427 5.725 30 40 EKEB CN(C)c1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 409060986 BCQPDXRCWAUYHY-WUKNDPDISA-N 342.442 5.228 30 40 EKEB CCOc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 409215217 YWRGBAWUTXFXBF-IWIPYMOSSA-N 349.405 5.554 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/O 4023775 GKFSDTRKPOZJAE-RQQLVBBRSA-N 345.571 7.142 30 40 EKEB biogenic FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc3ncccc3c2)c1 5692748 QCDKWCRHJQELQR-AUEPDCJTSA-N 349.743 5.353 30 40 EKEB CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CO1 43569509 VWYIWOYBERNXLX-QJRAZLAKSA-N 338.532 5.966 30 40 EKEB in-vivo CCCCCCCCNc1nc(-c2ccccc2)c(CC(=O)O)s1 98050276 BRJNTJXBKBOOFQ-UHFFFAOYSA-N 346.496 5.210 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409377185 FLKDBXRNPMCWPZ-OOXYOOLHSA-N 345.870 5.893 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C)c2)cc1OC 409388395 UZZSOAOKTSNSNK-LQFJMUIISA-N 331.843 5.585 30 40 EKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 318215 OVJUKRDFSPTKIZ-FSJBWODESA-N 346.361 5.399 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br 8084618 HKGYSUOSUYSXOR-DEDYPNTBSA-N 344.252 5.327 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2F)cc1 44843177 PZXUPIXIPZGPEJ-ZHACJKMWSA-N 347.817 5.467 30 40 EKEB C=CCOC(=O)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC 95876445 KHPNSFFGLLOSHH-WOJBJXKFSA-N 338.532 5.964 30 40 EKEB CCCCCCCCCCCCCCCC(=O)NCCOC(C)=O 104380997 KNZOGQPUJYKSAA-UHFFFAOYSA-N 341.536 5.147 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)cc1 219815606 BKWBSAUAJNEEOS-SFHVURJKSA-N 325.477 5.154 30 40 EKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccccc2C(F)(F)F)C1 408564355 ZFSDMDRXSUFQSN-XTZCOPOCSA-N 339.401 5.807 30 40 EKEB C#CCn1cc(CNc2ccc(Cl)cc2Cl)c2ccccc21 408611563 TXNULEZIUMGXQI-UHFFFAOYSA-N 329.230 5.193 30 40 EKEB CN(C)c1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 408951196 ICOYSLPTQSXMNR-ULJHMMPZSA-N 339.442 5.447 30 40 EKEB CC[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 2736908 GAAFLROWZYIBQE-NSHDSACASA-N 344.867 5.040 30 40 EKEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)Sc1ccccc1N2 4384815 WQYORYXKWKGDLZ-IBGZPJMESA-N 325.408 5.092 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1C 4550858 AFXGAUKWCVYVOE-CCEZHUSRSA-N 327.427 5.779 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(Cl)cc1 103678851 SEASQOUBARUBJW-XUTLUUPISA-N 340.879 5.597 30 40 EKEB COc1ccccc1Oc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 108336113 PZHKMOXEXWJWKO-OEAKJJBVSA-N 347.414 5.561 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1 137832339 CPEIWIZXHBCIRN-OEAKJJBVSA-N 336.410 5.383 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C)c(Cl)c1 409236691 GHMWFFWVHWMDAX-HYARGMPZSA-N 342.870 5.398 30 40 EKEB C(#CC(c1ccccc1)(c1ccccc1)c1ccccc1)C1=CCCCC1 68562599 BMILRZSQGZXUSK-UHFFFAOYSA-N 348.489 6.525 30 40 EKEB CCCCCCC[C@@H](/C=C/CCC[C@H](C)O)c1ccccc1C(=O)O 100443332 KOHQFPCNYVFNDE-AIEADPQKSA-N 346.511 5.936 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)cc2)cc1OC 409380785 IEHCEGDGZIOMON-KUARTLJMSA-N 347.842 5.285 30 40 EKEB CC(C)=CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358803 FCISDJSGVCSJKS-UHFFFAOYSA-N 327.427 6.305 30 40 EKEB CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1Cl 16955366 CPWGZKHMPCLWFI-ZHUYAKLQSA-N 342.310 5.334 30 40 EKEB CCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530953 LLBRMJFXBQCTCI-CCEZHUSRSA-N 328.409 7.441 30 40 EKEB CCc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223563322 IYDYLIKKGBQQIA-LEBHPONQSA-N 348.534 6.500 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N\c2cccc(C(=O)OC)c2)cc1Cl 409020842 UQFDTRDBKMCFHS-KUARTLJMSA-N 345.826 5.055 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(C)cc3O)ccc21 96058 LGWKLQKBJPMCFL-OEAKJJBVSA-N 328.415 5.579 30 40 EKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccccc3)cc2)cc1 479232 DOJKMNSHCTYJGM-FOCLMDBBSA-N 345.398 5.296 30 40 EKEB Cc1cccc(/N=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1 3262403 GLCBGCDAYATLBI-SRZZPIQSSA-N 344.245 5.547 30 40 EKEB Cc1ccc(C)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1 4925506 GAKVVRDOKUXLKN-UFWORHAWSA-N 327.642 5.710 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1C 6340758 RLOWWLZEXTUQAP-RVDMUPIBSA-N 342.438 5.779 30 40 EKEB COc1ccc(/C=C\C(=O)c2ccc(C#Cc3ccccc3)s2)cc1 33376380 HTBAZAXCCLQTJH-GDNBJRDFSA-N 344.435 5.053 30 40 EKEB Oc1ccc2ccccc2c1/C=N/CC12CC3C[C@@H](CC[C@H](C3)C1)C2 100906949 DOYBWORBPPFDRB-YZMKROSPSA-N 333.475 5.571 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)cc1 409188266 YAWAHZPSNLRFRH-XQNSMLJCSA-N 332.447 5.112 30 40 EKEB CSC(SC)=C1CCCC/C(=C/c2ccc(Cl)cc2)C1=O 6051862 ZCPFZKBOWMUFAX-QBFSEMIESA-N 338.925 5.804 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OCC 6959795 ZUONUUYEQCGYEW-LPYMAVHISA-N 343.854 5.671 30 40 EKEB Cc1cccc(/N=C2/CCC[C@H]2C(=O)Nc2cccc(C)c2C)c1C 17375620 BZNXPSDDRGPQLO-GLEDVZQVSA-N 334.463 5.432 30 40 EKEB Oc1ccc2ccccc2c1/C=N/CC12CCC3C[C@H](C[C@@H](C3)C1)C2 100920788 TYPJGUKCUWMYMK-KNDWQIOTSA-N 333.475 5.571 30 40 EKEB CCCCCCCCCCCC(=O)c1cc(C(C)(C)C)ccc1O 100926097 JSVANXLJJGDFCF-UHFFFAOYSA-N 332.528 6.793 30 40 EKEB C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 219638691 GLVBQOUXGPINBD-INIZCTEOSA-N 337.463 5.040 30 40 EKEB CCCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 408906413 BJBQDTVJXQOKBA-VJZPTHRXSA-N 348.471 5.257 30 40 EKEB O=C(C=Cc1ccccc1)c1cccc(C(=O)C=Cc2ccccc2)c1 2049238495 KFLSRZNJOXWKIK-UHFFFAOYSA-N 338.406 5.479 30 40 EKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1 5543286 RXESDYUESHPCOZ-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB CCCCCCCCCCOc1ccc(O)c(C(=O)CCCCC)c1 100922052 QOVRTCOOQJKUPN-UHFFFAOYSA-N 348.527 6.675 30 40 EKEB COc1ccc(O)c(/C=N/c2ccc(/N=N\c3ccccc3)cc2)c1 104212158 PWIQVDVXSMHYPT-FCVKRGBPSA-N 331.375 5.567 30 40 EKEB CSc1ccccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 408949276 AKJPZHAATXZTGT-RCCKNPSSSA-N 335.476 5.016 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N\c2cccc(C(=O)OC)c2)cc1Cl 409020843 UQFDTRDBKMCFHS-MUBJSKCLSA-N 345.826 5.055 30 40 EKEB C=CCSc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12 2180855 ILZFURDDWPLZIV-UHFFFAOYSA-N 333.416 5.025 30 40 EKEB CCCCCCCCCOc1ccc(/C(=N\O)c2ccccc2)cc1 3142269 PSAMVTBQIKCEAI-FCQUAONHSA-N 339.479 6.043 30 40 EKEB CCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C 6963882 XKTBGUOUMJVUFA-YBFXNURJSA-N 332.241 5.215 30 40 EKEB Cc1nc(N=NC(=NNc2ccccc2)c2ccccc2)sc1C 254532464 GIFKVQOPAJDJLO-UHFFFAOYSA-N 335.436 5.318 30 40 EKEB Cc1cc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1F 408753788 NVALLKDERQAJOA-FSJBWODESA-N 340.829 5.946 30 40 EKEB CN1/C(=C/C=N/c2cccc3ccccc23)C(C)(C)c2ccccc21 3194858 TTZMOVMXSIIASU-JJOJRSAGSA-N 326.443 5.854 30 40 EKEB COc1ccc(/N=C2\CSc3sc(=S)sc3S2)cc1 5526863 MQMDXRXTPRHJDB-UKTHLTGXSA-N 343.545 5.476 30 40 EKEB Brc1ccc(/N=C(\c2ccccc2)c2ccncc2)cc1 12375735 PCFXIKFHNGCKDC-DYTRJAOYSA-N 337.220 5.013 30 40 EKEB O=C1/C(=C/C=C\c2ccccc2)CCCC/C1=C\C=C\c1ccccc1 17380140 ONORUXCYOUKTBD-BKIYUTHRSA-N 340.466 6.409 30 40 EKEB CCCCCCCCCCCC[S@@](=O)C[C@H](O)c1ccccc1 33355510 JGFMVVKNYQLJOQ-REWPJTCUSA-N 338.557 5.390 30 40 EKEB COc1ccc(/C=N/c2ccccc2Sc2ccccc2)cc1O 97831980 AOBMYLBFSSENEN-KGENOOAVSA-N 335.428 5.303 30 40 EKEB Cc1c(C)c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1C 575358558 DZWMVROMTRPDEN-UHFFFAOYSA-N 344.270 5.244 30 40 EKEB CSc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1 69157 GECWOBZFOJRLIX-DEDYPNTBSA-N 333.416 5.067 30 40 EKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccco2)c2ccccc21 2200560 BWNPKMKDYBUTPV-HXUWFJFHSA-N 331.396 5.146 30 40 EKEB CC(C)CC[C@]1(CC/N=C/c2ccccc2)CCO[C@@H](C(C)C)C1 4073214 JAPHEBBQVFDOLP-AVQLUFSJSA-N 329.528 5.753 30 40 EKEB biogenic CN(C)/C=C/C(=O)/C=C/c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 5613794 OSDAYWNBUJFOFZ-JDHQLRNLSA-N 349.474 5.434 30 40 EKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc2ccccc2c1 5669928 GGKNXMWOJXCHDV-ZHACJKMWSA-N 327.210 6.043 30 40 EKEB Clc1ccc(/N=C2\C=C(Nc3ccc(Cl)cc3)CCC2)cc1 91302330 LWFMJQZDSYEVOT-PYCFMQQDSA-N 331.246 6.246 30 40 EKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1 97941848 NVFJJTHWLWHPHH-UHFFFAOYSA-N 333.472 5.333 30 40 EKEB COc1ccc(/N=C\c2ccc(/C=N/c3ccc(OC)cc3)cc2)cc1 100441772 WHVPISQBOXRCHR-REPVBDINSA-N 344.414 5.205 30 40 EKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 223569185 VHFUICUWBNZBTN-ZGWJWYQGSA-N 336.479 5.476 30 40 EKEB CO/C(=N/c1cccc2ccccc12)Nc1cccc2ccccc12 1711202 BLCAOISRMODSIX-UHFFFAOYSA-N 326.399 5.739 30 40 EKEB C=C(C)COc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C 1806205 GRVYJSMLPUOSRZ-UHFFFAOYSA-N 328.452 5.488 30 40 EKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 8084563 PASVJOPXPXDAQR-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB CCCCCCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 97994905 NTWVUVXBOKEZCR-UHFFFAOYSA-N 333.903 6.359 30 40 EKEB COc1cc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1 1504250440 MXXQJBVPNYTQSK-UHFFFAOYSA-N 340.194 5.063 30 40 EKEB N#Cc1cc(F)c(Sc2ccc(Cl)cc2)cc1Br 346928 OIISXANEZXEJFG-UHFFFAOYSA-N 342.620 5.264 30 40 EKEB CN1C(=O)C=C(/C=N/c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@H]21 16955243 OYSCKFIELWMGSV-MSURWQBHSA-N 344.458 5.013 30 40 EKEB Oc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409076799 CHRZIAYKYNBGPR-ZVHZXABRSA-N 347.458 5.316 30 40 EKEB Brc1ccccc1/C=N/c1ccc(N2CCCCC2)cc1 3238766 MLVSUUUSJLTZAA-XSFVSMFZSA-N 343.268 5.190 30 40 EKEB C/C(=N\OC(=O)c1ccc(C)cc1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084787 ABRMQAQDGKDZDO-AGCNJRDRSA-N 335.447 5.455 30 40 EKEB CCc1ccc(/C(C)=N/Nc2nc(-c3cc(C)ccc3C)cs2)cc1 4957162 YDFMHQKFOPIJRF-XQNSMLJCSA-N 349.503 5.825 30 40 EKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 5588196 ZZXBSTZEPRHWHT-UHFFFAOYSA-N 334.850 6.147 30 40 EKEB N#Cc1ccc(CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 58213985 QVKONWNUDFECKX-OAQYLSRUSA-N 349.886 6.234 30 40 EKEB CCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 97941845 UNUGTSDVLIANNU-UHFFFAOYSA-N 330.497 5.808 30 40 EKEB C[C@]1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 118918048 NDJUVJCBLCBNQW-PMDRVGQRSA-N 330.512 5.003 30 40 EKEB Brc1ccc(-c2ccc(/C=N/c3ccccc3)o2)cc1 78457 OMWUKKSNKCLPKM-XDHOZWIPSA-N 326.193 5.460 30 40 EKEB O=C(/C=C/c1cccnc1)c1ccc(-c2ccc(Cl)cc2)s1 7039497 VQNWBJKUMLJKES-FPYGCLRLSA-N 325.820 5.360 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(C)c2)cc1 44843326 SEQHMGSCTZEHHL-VAWYXSNFSA-N 343.854 5.636 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1ccc(-c2cccc(F)c2)o1 409009102 BJMBWMGYRDQDAE-SRZZPIQSSA-N 329.758 5.498 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)cc1C 345257 FVAFGWKTBBSWSQ-WSDLNYQXSA-N 348.402 5.839 30 40 EKEB N#Cc1c(/N=C/c2ccc(N3CCCCC3)cc2)sc2c1CCCC2 3772012 PRTDKXCHRRPAOC-HZHRSRAPSA-N 349.503 5.239 30 40 EKEB CCCOc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1 4320768 MUHZOQIVXHILNW-UXBLZVDNSA-N 338.378 5.565 30 40 EKEB CC(C)(C)C1CCC(=NNc2c(Cl)cc(Cl)cc2Cl)CC1 5495978 MRKMCZUPZRYTSM-UHFFFAOYSA-N 347.717 6.651 30 40 EKEB O=C(/C(=C\c1cccs1)c1nc2ccccc2o1)c1ccccc1 11614204 MFAWFIUAIALBNK-DTQAZKPQSA-N 331.396 5.313 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2OCC)cc1 44842954 NQHYKOCSUYKWNS-CCEZHUSRSA-N 339.435 5.073 30 40 EKEB CCCCCCCCCCCCCC[C@@H](C(=O)O)[n+]1ccccc1 73372725 JCMOEFKIKXJILZ-FQEVSTJZSA-O 334.524 5.691 30 40 EKEB CCCCCCC[C@@H]1CCC/C1=N/OC(=O)Cc1ccccc1F 100165836 JQUHFWHRJZMUHG-BWORXHKJSA-N 333.447 5.428 30 40 EKEB Cc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 408973811 BWPLOBKSTGQYQJ-YDZHTSKRSA-N 342.354 5.730 30 40 EKEB Cc1ccn2cc(-c3cccc(/N=C/c4ccc(Cl)cc4)c3)nc2c1 503621 HWFMVFSRZDYHMA-YDZHTSKRSA-N 345.833 5.714 30 40 EKEB CCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 8396377 ZPSNHYCBDDUZGV-UHFFFAOYSA-N 330.497 5.889 30 40 EKEB CCO/C=N/c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccccc1 13410448 WCZDAVCCBYZRSX-OEAKJJBVSA-N 349.821 5.366 30 40 EKEB CCCCCCCCCC[C@H](CN(CC)CC)[C@@H](O)c1ccccc1 100689534 AJZZOFSTWTUZKH-PKTZIBPZSA-N 347.587 6.209 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(C(C)(C)C)cc1 101470860 JOXQEAXBGQJFGB-UHFFFAOYSA-N 344.583 7.868 30 40 EKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC[N+](C)(C)C 104375403 QYQCXBUVXGRVKB-SFTDATJTSA-N 326.589 5.941 30 40 EKEB Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 408738066 MPEGSUXGGVPRLA-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cc(C)ccc2C)cc1OC 409384736 FBDHCJBLSSNFJX-QZDMBBGESA-N 345.870 5.893 30 40 EKEB Cc1ccc(/C=C2/CCCC/C(=C/c3ccc(C)s3)C2=O)s1 495692 GMBVAKVEMCLLIG-NFLUSIDLSA-N 328.502 6.037 30 40 EKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC#N)n2)cc1 4859626 BTBWCPQNIUMKLI-UHFFFAOYSA-N 341.439 5.211 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 6961089 BNTGZWLJMZNRFF-FYJGNVAPSA-N 329.827 5.363 30 40 EKEB Cc1ccc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)cc1 35644241 WQNIQJYVCIIFQS-CPNJWEJPSA-N 344.439 5.040 30 40 EKEB CN(C)CC[C@@]1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O 1625995 YPDVRXQZIAHANI-NUTQULCTSA-N 343.898 5.135 30 40 EKEB Cc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 4857218 LKCOMTOTVKCJHV-CYVLTUHYSA-N 339.394 5.560 30 40 EKEB COc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 8116660 AZQDJBGZMQPCJT-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(F)cc1 8684771 VIBQRHWTFZQAMS-YUNKPMOVSA-N 339.435 5.338 30 40 EKEB Clc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 8811422 RUWCLKLFYJSLTP-WSDLNYQXSA-N 345.229 5.377 30 40 EKEB Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 36022588 AOSQERHXYSIVLB-UHFFFAOYSA-N 344.439 5.270 30 40 EKEB CC[C@@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)c1ccccc1 72238636 MXBOBZFKVKYOSQ-INIZCTEOSA-N 331.419 5.127 30 40 EKEB C#Cc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)c(C)c1 90730245 LKFMEHLDNOLFJI-GHVJWSGMSA-N 336.435 5.323 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(C#N)cc3)c2C#N)C1 409213041 SARHKSUGVMRSJO-ACMDDDSKSA-N 347.487 5.393 30 40 EKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2cc(-c3ccccc3)ccc2O)cc1 3033583 LZYZFIAFFUTSCU-JZILYMMXSA-N 344.370 5.383 30 40 EKEB Cc1ccc(Cl)cc1N/C(=C/C(=O)c1ccccc1)C(F)(F)F 3669151 NSMJMPLVLHGDIU-MHWRWJLKSA-N 339.744 5.389 30 40 EKEB CC/C(=N/N=C(/CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5459102 QUCRXQATTOMCFW-SVJWQLCWSA-N 333.262 6.007 30 40 EKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC 8084330 BGELPWVELAEVFD-FYJGNVAPSA-N 331.843 5.450 30 40 EKEB CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9481366 NXNARPIGLWDQLG-APSNUPSMSA-N 335.186 5.008 30 40 EKEB N#Cc1cc(C(F)(F)F)ccc1Sc1ccc(Cl)cc1Cl 3104751 VOQFPNRTKSUQMZ-UHFFFAOYSA-N 348.176 6.035 30 40 EKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1 5531887 AHQOCUGXGYXCKG-UYRXBGFRSA-N 344.439 5.040 30 40 EKEB CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C#N)cc2)cc1 9592160 WNRYARYMHWSQSW-UHFFFAOYSA-N 329.399 5.382 30 40 EKEB C[N+](C)(C#CCc1ccccc1)C/C(Cl)=C(\Cl)c1ccccc1 13739113 HSRCOCFGKJAWOE-FMQUCBEESA-N 345.293 5.113 30 40 EKEB O/N=C(/c1ccccc1)[C@H](c1ccccc1)C(Cl)(Cl)Cl 104132278 PUGNACWPMRGYOZ-ISNHLSKGSA-N 328.626 5.019 30 40 EKEB CCCCCCCCCCCC[C@H](CN(C)C)C(=O)c1ccccc1 104333533 MQMHFPBAIVWPAB-JOCHJYFZSA-N 345.571 6.358 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C#N)C1 409080896 OIUUHZIBNUPIDK-OFJBCHTGSA-N 338.476 5.227 30 40 EKEB CC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409251398 PYQIJISUVKZLEE-HZHRSRAPSA-N 345.467 6.099 30 40 EKEB Cc1cc(C)cc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)c1 1263718 KHJIEUMLHRDSPE-UHFFFAOYSA-N 326.403 5.028 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4)cc3)sc2c1 1882081 HXCGOKYNYHQBNM-HYARGMPZSA-N 328.440 6.022 30 40 EKEB CCCC[C@H](CC)[C@@H](C#C[C@@H]([C@@H](CC)CCCC)N(C)C)N(C)C 4409541 RJLGGVZDIXQSOC-MYGLTJDJSA-N 336.608 5.283 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2C)cc1 44843229 SAMGEGBFIGONFN-OUKQBFOZSA-N 343.854 5.636 30 40 EKEB Cc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409202716 UHDXSHIVJWWSDZ-GEWRUKCFSA-N 336.504 5.830 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 61696 GAAICHADJJZXOG-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1 6341601 HHQMWXLGEZKZIO-JLHYYAGUSA-N 331.415 5.319 30 40 EKEB C[C@H](/N=C(/S)Nc1c(Cl)cccc1OC(F)F)C(C)(C)C 8694045 ZRKXGRFJLIBNAY-QMMMGPOBSA-N 336.835 5.074 30 40 EKEB Clc1ccccc1/C=N/Nc1c2ccccc2nc2ccccc12 13284010 DGIDDPPXGRLXAC-LPYMAVHISA-N 331.806 5.487 30 40 EKEB CCCCCCCc1ccc(C#Cc2ccc(OCCCC)cc2)nc1 70665047 ZZFGLGWAKYYWSE-UHFFFAOYSA-N 349.518 6.173 30 40 EKEB biogenic CCCCCCCCCCCCCCCC#CC1(O)CCCCC1 100134484 GAXZWHKFUYWQNZ-UHFFFAOYSA-N 334.588 7.166 30 40 EKEB CCCCCCCCCC[C@@H]([C@H](O)c1ccccc1)N1CCCCC1 100689513 LWMQNQBOOGFMTA-XZOQPEGZSA-N 345.571 6.105 30 40 EKEB Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C 223572011 RGKJRSNDRGYBRG-VRHSPDTKSA-N 340.898 6.121 30 40 EKEB C#CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl 408608024 LXPCEYJWLLMLQD-UHFFFAOYSA-N 340.637 5.271 30 40 EKEB COc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 408848426 YVINXIFIJDJAFZ-MTJSOVHGSA-N 345.229 5.543 30 40 EKEB Cc1ccc(/N=C(/CNc2ccc(C)cc2)Nc2ccc(C)cc2)cc1 4235298 KJNMEUXDWRATQZ-UHFFFAOYSA-N 343.474 5.866 30 40 EKEB biogenic C/C(Nc1cccc(Br)c1)=C1/Sc2ccccc2C1=O 100094442 KHTSANYAQYHGBZ-YBEGLDIGSA-N 346.249 5.081 30 40 EKEB CCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)O)cc1 104343083 APVXBFBAVQYGRD-ZCXUNETKSA-N 344.495 5.974 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)cc1 408752508 BAWWFRJCAQFAHI-ZVHZXABRSA-N 334.438 5.855 30 40 EKEB COc1cccc2c(/C=N\c3ccccc3)c(-c3ccccc3)[nH]c12 408833879 WHKHFVHNOMESCG-HAHDFKILSA-N 326.399 5.594 30 40 EKEB CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 3208161 IHWUFPHTPBMTKJ-YPZZKDGISA-N 338.234 5.669 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl 8116415 UAMBCGMHIYAYJA-RGVLZGJSSA-N 336.218 5.317 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/O 12653666 GKFSDTRKPOZJAE-FUAQFHRKSA-N 345.571 7.142 30 40 EKEB biogenic CCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1 72177943 APVXBFBAVQYGRD-ISLYRVAYSA-N 344.495 5.974 30 40 EKEB CCCCCCCCCCCNC(=O)c1c(Cl)cccc1Cl 97941870 YOINSSXYFSOHNW-UHFFFAOYSA-N 344.326 6.254 30 40 EKEB Cc1ccc(/N=C/c2ccc(OC(F)(F)F)cc2)c2c1CC(C)(C)O2 100142049 JHWQNEVSLOYOTF-FOKLQQMPSA-N 349.352 5.358 30 40 EKEB COc1ccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 103750096 LYLMNBKDYCIROY-OEAKJJBVSA-N 349.817 5.330 30 40 EKEB C#CCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 327331162 YLSMSRXDFBUUOW-UHFFFAOYSA-N 329.399 5.103 30 40 EKEB CCOc1ccc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1 90256 QQZXIRINGJAGQK-LPYMAVHISA-N 335.403 5.167 30 40 EKEB CC(C)c1cccc(C(C)C)c1/N=C/c1c(O)ccc2ccccc12 2182799 XLFIHSZKMMOERQ-ZVHZXABRSA-N 331.459 6.543 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(N(C)C)cc3)c2C)cc1 3170395 ONIRSISDTRJYGI-HZHRSRAPSA-N 331.463 5.219 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1 8368736 TWXUJHIMRQPPJH-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Clc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20242198 CXILDXJLILUVEY-MFKUBSTISA-N 349.905 6.558 30 40 EKEB N#CCCN(c1ccccc1)c1ccc(Br)cc1Cl 95915860 RJTXIIZKNJBHLH-UHFFFAOYSA-N 335.632 5.154 30 40 EKEB O=C(/C=C\c1ccccc1Cl)c1ccccc1OCc1ccccc1 95930982 AIHNBFJDLWNCER-PFONDFGASA-N 348.829 5.815 30 40 EKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CO1 118918046 NDJUVJCBLCBNQW-AJWYFOLQSA-N 330.512 5.003 30 40 EKEB N#Cc1c(/N=C/c2ccccc2C(F)(F)F)sc2c1CCCC2 345014 GEKJCVKRVNJEDO-LSHDLFTRSA-N 334.366 5.268 30 40 EKEB CCCCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O 3188537 SJDWPLXBBMCCCE-UHFFFAOYSA-N 333.447 5.343 30 40 EKEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1 5417500 LPCVPJOLWGARSZ-PXLXIMEGSA-N 336.435 5.269 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 6049151 PKDJBAOOBGAFKU-GXDHUFHOSA-N 343.382 5.466 30 40 EKEB C=CCOc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10328776 AMQVUVXZZPPWJK-UHFFFAOYSA-N 337.463 5.120 30 40 EKEB Cc1sc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C#N)c1C 21595639 FBFKMBJTNGJTRI-PKNBQFBNSA-N 348.427 5.149 30 40 EKEB Brc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 197702955 KOYVBYIFEQTEMM-XSFVSMFZSA-N 343.268 5.190 30 40 EKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1 198161545 VVNPKYSCSVKSHW-PCLIKHOPSA-N 346.518 6.330 30 40 EKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1cccc(Cl)c1 408757778 BXWVIPUUNUKBMD-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB N#CCCC(CCC#N)(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1 1867110 NVERBYQOOJLDSO-UHFFFAOYSA-N 348.233 5.074 30 40 EKEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(ccc3ccccc13)N2 4930214 ZWIUXDJIDNSKJP-NRFANRHFSA-N 343.401 5.543 30 40 EKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 6277094 DSBBLLHWUQOQKY-QXMHVHEDSA-N 341.332 5.667 30 40 EKEB CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br 6963915 KRTZCOZNNNODCD-YBFXNURJSA-N 332.241 5.215 30 40 EKEB Cc1ccc(Sc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc1 7380218 WZAARLBLHIDJQA-UHFFFAOYSA-N 347.487 5.270 30 40 EKEB CCc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 7995229 QFNAJSAIAOCKRM-UHFFFAOYSA-N 346.459 5.043 30 40 EKEB CCOc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1 58250411 PGAQPQUIVRJMDJ-OUKQBFOZSA-N 335.428 5.105 30 40 EKEB Cl/C(=N\N=C(/Cl)c1ccccc1Cl)c1ccccc1Cl 2567071 STSYYFNBAHTXBF-AXPXABNXSA-N 346.044 5.579 30 40 EKEB Cc1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(C#N)c1C 4570312 BARDAVYHIUVGOC-UHFFFAOYSA-N 348.427 5.281 30 40 EKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1OC(F)F 6048171 OZVWYFYTHWYPCV-SOFGYWHQSA-N 343.156 5.491 30 40 EKEB FC(F)Sc1ccc(N/C(S)=N\CC2CCCCC2)cc1 13479157 IVKRBBFDPMCWTE-UHFFFAOYSA-N 330.469 5.279 30 40 EKEB O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 408624454 UHIPRDOBKWTHBD-SDNWHVSQSA-N 348.829 5.815 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409109092 XRHXAJDERGDOBF-BXDFRRGMSA-N 336.479 5.096 30 40 EKEB CCN(CC)c1ccc(/N=C/c2c(OC)ccc3ccccc23)cc1 65898 CYYZCUSPPVOCPQ-XQNSMLJCSA-N 332.447 5.445 30 40 EKEB Cc1c(C(=O)N(C)c2cccc(C#N)c2)oc2c1ccc1ccccc12 63325114 NTOUVRMEIQYMQR-UHFFFAOYSA-N 340.382 5.043 30 40 EKEB O/N=C1\C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 102056210 QWMMGJJMBIYAMK-QLUXXWCOSA-N 342.442 5.076 30 40 EKEB CCCCC/C=C/C/C=C/C=C/C=C\[C@H]1O[C@@H]1CCCC(=O)OC 223647875 WTKAVFHPLJFCMZ-BQSBLWEVSA-N 332.484 5.292 30 40 EKEB COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 293264 KXYBNSYLTIUMDF-RGVLZGJSSA-N 340.766 5.161 30 40 EKEB O=C1/C(=C/c2ccccc2)CC[C@H]2[C@@H]1CC[C@H]1c3ccccc3CC[C@H]12 4529718 DIYWYRFFWACTFY-PAXSDOCXSA-N 342.482 5.805 30 40 EKEB COc1ccc(/C=C/C(=O)c2sc(-c3cccs3)nc2C)cc1 4671350 UJYQMIIYJOUHHW-JXMROGBWSA-N 341.457 5.085 30 40 EKEB O=C(/C=C\c1ccc2ccccc2c1)c1cccc(Br)c1 33378803 JEVVAPHYPYKIJY-LUAWRHEFSA-N 337.216 5.498 30 40 EKEB C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C(F)(F)F)cc1 97465045 YFLYRWSEFNZCDM-CQSZACIVSA-N 348.368 5.561 30 40 EKEB CC1=Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 100128992 GDPOVYKDKPTVGT-AWEZNQCLSA-N 336.822 5.259 30 40 EKEB CCCCCCCCNCc1ccc(-c2cccc(Cl)c2C)o1 102559621 QZWDKJAIZJZZLH-UHFFFAOYSA-N 333.903 6.359 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cc(C)ccc3C)c2C)cc1 409187556 RVFFIQMZKVSKJL-IWIPYMOSSA-N 346.474 5.860 30 40 EKEB CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc(C#N)c1 2049305456 FILSZZWVFWHLEU-UHFFFAOYSA-N 329.447 5.658 30 40 EKEB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)Sc2ccccc21 63141 QCKAAFHBABAJIP-WQRHYEAKSA-N 338.815 5.930 30 40 EKEB Cc1ccc(C)n1-c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 4680671 YZBGIFCZWAPPSF-UHFFFAOYSA-N 338.410 5.893 30 40 EKEB CCc1ccc2c(c1)/C(=N\c1ccc3c(c1)oc1ccccc13)C(=O)N2 5471520 ZGHJEFICWMSZMZ-UHFFFAOYSA-N 340.382 5.221 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 6048016 PUDXXWQTIDAHNF-BQYQJAHWSA-N 336.174 5.106 30 40 EKEB Cc1nc(SCCCC#N)c2c(-c3cccs3)csc2n1 9365718 CSRIFRVHAQZTKX-UHFFFAOYSA-N 331.491 5.124 30 40 EKEB Cc1ccc(-c2csc(N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)n2)cc1 16739941 SJVCVARTRNUBQA-FCRSJJRSSA-N 339.508 5.733 30 40 EKEB CCN1/C(=C\C=C2\Sc3ccccc3C2=O)C=Cc2ccccc21 100529569 XAVVVIJSZZEJLA-LWIMMYMYSA-N 331.440 5.296 30 40 EKEB Brc1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 408994997 KKDNPYQWUMHEKW-CPNJWEJPSA-N 341.208 5.214 30 40 EKEB O=C1/C(=C(\O)C(F)(F)F)CCCC/C1=C\c1ccccc1Cl 409359156 WHHWMOFTMISJAE-HTQMBMLDSA-N 330.733 5.241 30 40 EKEB Cc1cc(-c2csc(Nc3ccc(C#N)cc3)n2)ccc1Cl 2562040 NSFNRQSGHHBHOW-UHFFFAOYSA-N 325.824 5.387 30 40 EKEB CCCCCCCCCCCC(=O)Nc1cccc2ccc(C)nc12 2750776 AVFMLBCVFUZZQC-UHFFFAOYSA-N 340.511 6.403 30 40 EKEB O=C1Cc2ccccc2C=C1Oc1cc(Cl)c(Cl)cc1Cl 4268278 PJYPGRSLPWUXEL-UHFFFAOYSA-N 339.605 5.192 30 40 EKEB biogenic CC/C=N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 4475471 KNSJNQPCKBRATF-HMGLBJTLSA-N 341.867 5.156 30 40 EKEB O=C(/C=C/C1=C[C@H]([C@H]2CCCCCN2)c2ccccc21)c1ccccc1 98211560 HDTMITJODROCMS-GZDQNMDPSA-N 343.470 5.139 30 40 EKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCN=[N+]=[N-] 104201393 KNWIVGSHEUKVLP-UHFFFAOYSA-N 339.592 6.854 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 219801010 IDJWIBNHAGTAQO-UHFFFAOYSA-N 337.366 5.236 30 40 EKEB Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 408846320 MSXMXWNTQUSOCI-DEDYPNTBSA-N 339.236 5.299 30 40 EKEB C=CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1OCC 409119182 RGKIENHUPQEPBK-UHFFFAOYSA-N 331.843 5.224 30 40 EKEB COc1ccc(Cl)cc1Nc1nc2c(C)cc(C)cc2cc1C#N 4125499 LJSNHOBKPLRUGL-UHFFFAOYSA-N 337.810 5.129 30 40 EKEB CCCCCCCOc1ccc(C=O)cc1OCCCCCCC 59608624 KNALCKDOFTXKTB-UHFFFAOYSA-N 334.500 6.198 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)c1 101768215 AQOLMURNAIUBOO-UUYOSTAYSA-N 338.838 5.512 30 40 EKEB CCCCCCCCCCCCCCCC[N+]1([O-])CCCCC1 104198988 VUCQXFUUUZFINQ-UHFFFAOYSA-N 325.581 6.966 30 40 EKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccccc1 3117827 GVOZUORMLMZIDC-QOCHGBHMSA-N 349.503 5.577 30 40 EKEB C/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4592942 GKFQJEKJOVJPNX-RCCKNPSSSA-N 331.375 5.098 30 40 EKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC 6959668 YNAVKSBPSDXAOU-CIAFOILYSA-N 331.843 5.505 30 40 EKEB CCCCCCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 100013366 LJFNGVUSXQXTKS-UHFFFAOYSA-N 340.467 5.179 30 40 EKEB N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 353738 BIJVFGOUNRNXQA-UHFFFAOYSA-N 348.789 5.256 30 40 EKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Cl 3197103 DKYJIEODQYYYNZ-FYJGNVAPSA-N 336.778 5.666 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1Cl 6958131 CRKBIJIUIZJYIL-AWQFTUOYSA-N 342.653 6.105 30 40 EKEB O=C(/C=C/c1cccc(F)c1)c1ccc(OCc2ccccc2)cc1O 32502204 YDPRUWAZZKLHBD-FMIVXFBMSA-N 348.373 5.006 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(O)c2ncccc12 100935818 DLRMYCHUKSYCLN-UHFFFAOYSA-N 327.468 6.044 30 40 EKEB CCCC[C@H](CC)[C@H](C#C[C@H]([C@H](CC)CCCC)N(C)C)N(C)C 4409539 RJLGGVZDIXQSOC-COPRSSIGSA-N 336.608 5.283 30 40 EKEB CCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21 50704756 VRUPLGGZPHYKFS-UHFFFAOYSA-N 334.507 6.378 30 40 EKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(Cl)cc1Cl)C2 103631270 REBJMFRQDKSDHF-LHNPSDGYSA-N 340.250 5.352 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408691986 ANQNZOAHHROEJT-MDWZMJQESA-N 349.861 5.952 30 40 EKEB C=CCOc1ccc(Br)cc1CNc1ccc(CC)cc1 409111388 CJNYPSQNDWUDFO-UHFFFAOYSA-N 346.268 5.188 30 40 EKEB Brc1ccccc1/C=N/Nc1ccc2ccccc2c1 5504903 PEZYRWZLGITDCV-XDHOZWIPSA-N 325.209 5.048 30 40 EKEB O=C(/C=C/Sc1nc2ccccc2o1)c1cccc2ccccc12 6942480 RTACYLPDDNOMQQ-OUKQBFOZSA-N 331.396 5.470 30 40 EKEB c1ccc(/N=C(\c2ccccc2)N(c2ccccc2)c2ccccc2)cc1 16450770 AVDXZUYBWDVWPG-OCEACIFDSA-N 348.449 6.603 30 40 EKEB CCOc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1 16840760 AVVHOWHLPKJQNH-UHFFFAOYSA-N 331.419 5.372 30 40 EKEB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC#N)c12 5615536 IAIYWUPQUPTHMC-UHFFFAOYSA-N 336.438 6.197 30 40 EKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1 6961522 IYIJMXFNSKHGIQ-LFVJCYFKSA-N 345.442 5.723 30 40 EKEB ON(/C(=N\c1cccc2ccccc12)c1ccccc1)c1ccccc1 16931711 JZWFXBRYIXDYRQ-VHXPQNKSSA-N 338.410 5.814 30 40 EKEB C=CCc1ccc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 76555532 RTMBTZQFFCTPTE-OAHLLOKOSA-N 336.435 5.057 30 40 EKEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(CC)cc2)o1 101411538 FMTMVVKRUWYKEV-PXLXIMEGSA-N 338.455 5.068 30 40 EKEB C#CCOc1c(CC=C)cc(CNc2cc(C)ccc2C)cc1OCC 409120068 UWDWHQFEWLEHMS-UHFFFAOYSA-N 349.474 5.055 30 40 EKEB COc1ccc(C)cc1[C@@H](C)NC1CCC(C#N)(c2ccccc2)CC1 6651291 ZWLCGBHZARHNCN-TWEIKEKHSA-N 348.490 5.058 30 40 EKEB CCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 35586023 ARYJBSQCUJGCHI-FYJGNVAPSA-N 345.826 5.358 30 40 EKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C)C2 97831985 PUDGGZZWHVHOOD-VTGBELTLSA-N 333.460 5.285 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 100367075 FVZOOJLCWIRRQE-LZYIBKLESA-N 340.507 5.280 30 40 EKEB Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409104000 IBSNKUCZNVZPOE-HYARGMPZSA-N 337.875 6.550 30 40 EKEB CC(C)(C)c1ccc([C@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1 411821 FKFWFOUFGAPENS-FQEVSTJZSA-N 330.431 5.004 30 40 EKEB CCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 1692756 FYIJLMACKSXAQD-LYBHJNIJSA-N 337.507 6.739 30 40 EKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1F 3128248 XHHJETHTGWTSCW-UHFFFAOYSA-N 342.732 5.344 30 40 EKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 8371836 BJRBEYHCEXJBJI-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Br)cc1 8376667 PMHCDJXDHLAVEC-CMDGGOBGSA-N 339.591 5.138 30 40 EKEB CCCCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCCCC 19827265 YUGDBGHNKDBIOG-UHFFFAOYSA-N 339.483 5.651 30 40 EKEB CCCCCCCOc1ccc(C(=O)CCCCC(=O)OCC)cc1 100332446 OWRXGHQKMRKSGX-UHFFFAOYSA-N 348.483 5.342 30 40 EKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4F)ccc32)c1 409231090 BINOSUKBZBIAPM-AFUMVMLFSA-N 346.380 5.718 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(OC)c2)cc1OC 409375011 DBQWKXYVKWIERP-LNOXHEFASA-N 347.842 5.285 30 40 EKEB C(=N/c1cccc2c(/N=C/c3cccnc3)cccc12)\c1cccnc1 271113 XTPBVZXLXSSIKI-RYQLWAFASA-N 336.398 5.131 30 40 EKEB C=CCOc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2268354 QHEUKKQXLGXVLI-UHFFFAOYSA-N 331.202 5.168 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(C)C)cc1 409247062 BOWUYZAMUCPRSP-XQNSMLJCSA-N 336.479 5.560 30 40 EKEB O/N=C1\CCC=CCCC=CCC[C@@H]1Sc1nc2ccccc2o1 1559624537 ACJPZAMGGKYCCY-CTVIWJQHSA-N 342.464 5.585 30 40 EKEB N#Cc1ccc(-c2ccco2)nc1SCc1ccc(Cl)cc1 521853 IKJJYRKYOXEIBW-UHFFFAOYSA-N 326.808 5.159 30 40 EKEB Cc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 1505125 CXAHRUZGUZQFGK-UHFFFAOYSA-N 326.403 5.028 30 40 EKEB CCCCCCCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1669481 DCPWNRCJDQHBEH-YADHBBJMSA-N 325.496 5.411 30 40 EKEB CCCCCCCNc1c2c(nc3ccccc13)CC(C)(C)CC2=O 2066264 YUJBGCQKKLQSEG-UHFFFAOYSA-N 338.495 5.772 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 5543177 DBZGHSLUMNSMLI-PKNBQFBNSA-N 336.818 6.113 30 40 EKEB CCn1ncc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1C 6490057 SDXXPNRREFSANR-CSKARUKUSA-N 340.810 5.021 30 40 EKEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(C)c2C)NC1=O 12032478 UFSNEYYOAOEWOZ-QQWZAAIYSA-N 348.471 5.141 30 40 EKEB Cc1ccccc1CS/C(=N\C#N)Nc1cccc(C(F)(F)F)c1 13563073 QNGMEFRMEVWQMY-UHFFFAOYSA-N 349.381 5.196 30 40 EKEB C=C(C)Cn1c(CCCCCCCCCCC)nc2ccccc21 50704861 VCUUNPSRLDGBJG-UHFFFAOYSA-N 326.528 6.686 30 40 EKEB CCCCCCCCC[C@@H](CCCCCCCC(=O)O)NC(C)=O 100300759 NLAPEXVETAZGOQ-IBGZPJMESA-N 341.536 5.447 30 40 EKEB O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 408625649 YVSNAJZXHRAGMS-NTCAYCPXSA-N 348.829 5.815 30 40 EKEB Cc1ccc(-c2nc(CSCc3ccc(C#N)cc3)cs2)cc1 31411664 DMBQPUBYWKJTBH-UHFFFAOYSA-N 336.485 5.424 30 40 EKEB O=C(/C=C/C1=C[C@@H]([C@@H]2CCCCCN2)c2ccccc21)c1ccccc1 97447426 HDTMITJODROCMS-WBWJIJALSA-N 343.470 5.139 30 40 EKEB C(=N/c1ccc(N2Cc3ccccc3C2)cc1)\c1cccc2ccccc12 100060408 DDMFLHZKIBIALW-WGOQTCKBSA-N 348.449 6.111 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408692366 KWWZBXRLXUPKMC-SDNWHVSQSA-N 329.443 5.607 30 40 EKEB COC(=O)c1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 408742245 VNWNKFIZOCCCEW-HYARGMPZSA-N 338.451 5.147 30 40 EKEB Cc1ccc(N/N=C\c2c(C)nn(-c3ccc(C)c(C)c3)c2C)cc1C 408997409 OITVGGRGLYUCEE-QRVIBDJDSA-N 346.478 5.169 30 40 EKEB Clc1cccc(Cl)c1/C=N/N=C/c1c(Cl)cccc1Cl 2170422 VVYREDLOWZKKFX-OKXCLTPOSA-N 346.044 5.753 30 40 EKEB CCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 4926194 LJTDLVQOYQPWQP-HAVVHWLPSA-N 330.431 5.126 30 40 EKEB C=CCCCCCCCCC(=O)Nc1ccc(Br)cc1 6761165 LTIHTXCDLQYETN-UHFFFAOYSA-N 338.289 5.694 30 40 EKEB Cc1ccc2cc3c(nc2c1)-c1ccccc1/C3=N/C1CCCCC1 100044213 ZIIRBUUNZBYCQV-GYHWCHFESA-N 326.443 5.694 30 40 EKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(NCCCC)C1=O 106618713 HTIPVHNTEDTOCS-UHFFFAOYSA-N 349.515 5.145 30 40 EKEB biogenic,in-vitro Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 5543179 GGBSHCCMGTUTDY-DHZHZOJOSA-N 347.370 5.368 30 40 EKEB FC(F)Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 5866570 ZDHOCHCJJBUKLB-HZHRSRAPSA-N 338.357 5.460 30 40 EKEB C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 13586053 RTWIHAHNOVPXCW-KEBDBYFISA-N 327.642 5.161 30 40 EKEB Oc1ccc(/C=N/c2cc3c4ccccc4ccc3c3ccccc23)cc1 18099477 IUSHYZSYYSOCDX-WGOQTCKBSA-N 347.417 6.602 30 40 EKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(C(C)(C)C)cc1 408965408 GZOHKQNFHSIVCU-MYYYXRDXSA-N 348.465 6.281 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1C 409202221 QHXZNJUKVUZLIE-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB S[C@@]12CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 3893921 NHPGGMMMZYRZIW-SFHLNBCPSA-N 338.541 6.374 30 40 EKEB C[C@H]1CCc2c(sc(/N=C/c3ccc(C(C)(C)C)cc3)c2C#N)C1 4129106 PKIXMUJHHKJGLL-WQEJZQBCSA-N 336.504 5.793 30 40 EKEB Cc1ccc(/C(=N/c2ccccc2)Nc2nc3ccccc3s2)cc1 6009036 KNFPZMHXUWFWSX-UHFFFAOYSA-N 343.455 5.795 30 40 EKEB Cc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242127 OQKMDBUVBXSVLB-PCLIKHOPSA-N 329.487 6.213 30 40 EKEB CC(C)c1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 44843380 FILJCEUOUWHIQV-ZHACJKMWSA-N 344.252 5.381 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)cc3)cc21 198084795 ZHRCJIKMHFOALW-GHONEHJGSA-N 344.861 5.952 30 40 EKEB C=CCn1c(-c2ccccc2)c(C)sc1=Nc1ccc(Cl)cc1 334157792 HLAYZMZBFOIVOI-UHFFFAOYSA-N 340.879 5.597 30 40 EKEB Cc1[nH]c2c(C)cccc2c1/C=N/CCNc1cccc2ccccc12 409048396 OLAAFZYRQBGORZ-BUVRLJJBSA-N 341.458 5.469 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2ccccc2C)cc1OCC 409121735 VXCRTRLJFGADOI-UHFFFAOYSA-N 337.463 5.299 30 40 EKEB COc1ccc(N/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 4235468 GRYUYEGTBDBASR-PGMHBOJBSA-N 329.399 5.031 30 40 EKEB Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccs3)cc2)cc1 5217372 HNCQAPPYHNPTOV-OUKQBFOZSA-N 348.423 5.172 30 40 EKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 20672570 XPHWGQMCCFYNOB-NRFANRHFSA-N 345.446 5.038 30 40 EKEB Clc1ccccc1N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 33656626 NANXJBPVUSQAFU-AZJLSSPBSA-N 348.833 5.680 30 40 EKEB CC1=Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccc(Cl)c1)C2 100128234 KLFORTXALYJXRJ-CQSZACIVSA-N 336.822 5.259 30 40 EKEB CCCCCCCCCCCCC/C=C/C[C@@H](CC(=O)O)C(=O)O 100167236 OEFYCSSKUNVOSE-JJJPLKNQSA-N 340.504 5.809 30 40 EKEB Clc1cc(/N=C/c2cccc3ccccc23)ccc1Br 3183601 KSZGCQZORCXQET-RGVLZGJSSA-N 344.639 6.006 30 40 EKEB CCCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C 6942642 CKVKDWHNGOVPOA-OEAKJJBVSA-N 337.850 6.341 30 40 EKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(C)cc1 26570105 RLJXUGDKLALCET-UHFFFAOYSA-O 341.887 5.594 30 40 EKEB Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1C1CCCCC1 408740442 KRKBBHDTJYXWCU-LFVJCYFKSA-N 330.475 6.514 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(F)cc3F)cc2)cc1 409239669 IFTRAVXVJXBJEX-YDZHTSKRSA-N 339.410 6.175 30 40 EKEB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)Sc2ccccc21 353024 IJIJIDSSHGTWET-WQRHYEAKSA-N 349.367 5.184 30 40 EKEB CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 16957400 FNRJKIYQOOHDAN-OQKWZONESA-N 327.427 5.176 30 40 EKEB O=C1/C(=C2/C(=O)c3cccc4cccc2c34)c2cccc3cccc1c23 31623670 DOTLEUORWLAKLE-QURGRASLSA-N 332.358 5.296 30 40 EKEB CCOc1cccc(/C=N/c2ccc(Cl)cc2C(F)(F)F)c1O 44836057 SOXMVJFSDSKQCI-ZVBGSRNCSA-N 343.732 5.214 30 40 EKEB Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(N2CCCCC2)cc1 254558902 QBUOJSFDZHAFFV-UHFFFAOYSA-N 349.261 5.440 30 40 EKEB C#Cc1cccc2c([Si](C)(C)C)c3ccccc3c([Si](C)(C)C)c12 514252394 DRBKRRBQRJSPRS-UHFFFAOYSA-N 346.622 5.065 30 40 EKEB C=CCOC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccccc12 4051434 GNOKWLWDWJTXEE-UHFFFAOYSA-N 338.794 5.290 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 6959291 JXNQSGROQHPLPB-LPYMAVHISA-N 341.838 5.118 30 40 EKEB C=CCN(CC=C)Cc1c(-c2ccccc2)nc2ccc(C)cc2c1O 8572516 FURBXBGYYZUDSV-UHFFFAOYSA-N 344.458 5.090 30 40 EKEB CCCCCCCOc1ccc(C(=O)CCCCCC(=O)O)cc1 100328440 YDHYLWRJESQARN-UHFFFAOYSA-N 334.456 5.254 30 40 EKEB CCn1c(/N=C/c2ccc(OCCC(C)C)cc2)nc2ccccc21 100641795 MKKISHPFVCDITI-PXLXIMEGSA-N 335.451 5.232 30 40 EKEB FC(F)(F)C(CCOc1ccccc1)(C(F)(F)F)C(F)(F)F 1083811008 LMPKVFSJDHSZPH-UHFFFAOYSA-N 340.185 5.129 30 40 EKEB Clc1ccc(/C=N/OCc2ccc(Cl)c(Cl)c2)cc1Cl 1661521 UDXQLSHYGDDOTA-FBCYGCLPSA-N 349.044 5.851 30 40 EKEB Cc1ccccc1/N=C1/N=C(S)N(c2ccccc2)C12CCCCC2 17186315 BQJFIJOJSBIPJK-UHFFFAOYSA-N 349.503 5.534 30 40 EKEB Clc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242226 DEHOSYAKXKEIPL-HYARGMPZSA-N 337.875 6.383 30 40 EKEB CCN1/C(=C\C=N\c2ccccc2)Oc2ccc(-c3ccccc3)cc21 33387376 BLMQPFNXVFXTEM-DFEHQXHXSA-N 340.426 5.816 30 40 EKEB CCCCCCCCCCSCc1ccc(O)c2ncccc12 100935869 UZIREWZRCKSMDQ-UHFFFAOYSA-N 331.525 6.314 30 40 EKEB CCCCCCC(=O)Nc1ccc(/N=C/c2cccc(OC)c2)cc1 102989191 XUWUCXZVIYLJFU-CJLVFECKSA-N 338.451 5.355 30 40 EKEB Clc1ccc(C(N=Nc2ccccc2)=NNc2ccccc2)cc1 254758008 GGXMARXENIIWPQ-UHFFFAOYSA-N 334.810 5.898 30 40 EKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 408620463 JAPXLWXMZWSARW-MDWZMJQESA-N 335.834 5.644 30 40 EKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(C(C)C)cc3)nc1-2 409042982 OURSWRUOHVSLMY-UUYOSTAYSA-N 348.471 5.597 30 40 EKEB FC(F)(F)Oc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 2133744 IJQAVDJNEXLVSV-DNTJNYDQSA-N 334.124 5.643 30 40 EKEB COc1cc(/C=N/Nc2ccccc2C)ccc1OCc1ccccc1 6302816 IUCGYTWNXKUPBJ-HZHRSRAPSA-N 346.430 5.029 30 40 EKEB O=C(/C=C/c1ccccc1OC(F)F)c1ccc(Cl)cc1Cl 6829278 WEXBRRHRYDNDSO-VMPITWQZSA-N 343.156 5.491 30 40 EKEB Clc1ccc(-c2csc(N/N=C/c3ccccc3)n2)c(Cl)c1 59193772 YDRKBNUQUGRYBM-DJKKODMXSA-N 348.258 5.563 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102144089 LIRVPIVMKDJDEV-ZTTFOMCMSA-N 340.511 5.079 30 40 EKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 408961841 OLQJZYCVHWXKTM-SRZZPIQSSA-N 339.778 5.357 30 40 EKEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1Cl 544649 SAJFYPDVAHVGCS-UHFFFAOYSA-N 344.201 5.132 30 40 EKEB CC1(C)C/C(=C\c2cccc(Br)c2)C(=O)c2ccccc21 5105220 AOFSBFOPRGMIMO-GXDHUFHOSA-N 341.248 5.397 30 40 EKEB C=CCc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OCC)c1O 59303213 DZRLUHHTGSWEPS-SRZZPIQSSA-N 333.790 5.063 30 40 EKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1C1CCCCC1 100194138 CKCVLVMQJHZAAQ-WSDLNYQXSA-N 349.305 6.668 30 40 EKEB O=[N+]([O-])c1cccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1 100202925 WWRKYXPXQZJAGM-VTWIIDCKSA-N 330.347 5.761 30 40 EKEB CCCCCCCCCCC(=N\O)/C(=N/O)c1ccc(CC)cc1 100931337 KQZCZJWORAAJDG-FLFKKZLDSA-N 332.488 5.788 30 40 EKEB [O-]/[N+](=C\c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 159385 YQZSSYKOFSIZQK-WSVATBPTSA-N 335.017 5.561 30 40 EKEB CC(=Nc1ccc(C2CCCC2)cc1)Nc1ccc(C2CCCC2)cc1 2193166 DZLHOGMVFFGBFY-UHFFFAOYSA-N 346.518 7.164 30 40 EKEB CCCCCCCCCCOc1ccc(C(=O)NC2CCCC2)cc1 8424855 SSJDDVHSEHNXHM-UHFFFAOYSA-N 345.527 5.879 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C/c3ccc(N(C)C)cc3)cc21 18068532 PVAFATHGNWXDDS-LFVJCYFKSA-N 341.458 5.631 30 40 EKEB Clc1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 20242113 SJFZORHKQSLCAI-HYARGMPZSA-N 337.875 6.383 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102144074 LIRVPIVMKDJDEV-JMVFIXPQSA-N 340.511 5.079 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(OC)c2)c1C 408960841 OQKRPIXBCIXCIE-BUVRLJJBSA-N 346.474 5.724 30 40 EKEB CC(C)(C)C(=O)/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 409100550 UPPTXEFJXVTCCV-SNAWJCMRSA-N 339.279 5.265 30 40 EKEB O=C(/C=C/c1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360747 LYTIWZZKCZFOPX-RMKNXTFCSA-N 344.254 5.620 30 40 EKEB O=C(/C=C\C1=C[C@H]([C@H]2CCCCCN2)c2ccccc21)c1ccccc1 575626875 HDTMITJODROCMS-FJXFTSETSA-N 343.470 5.139 30 40 EKEB CCCCCCCCc1ccc2c3ccccc3c3ccccc3c2c1 1723496 DLCJONKEYRKZTI-UHFFFAOYSA-N 340.510 8.049 30 40 EKEB CC1(C)C/C(=N\O)[C@@H]2C=C(c3ccccc3)N(c3ccccc3)[C@@H]2C1 4733298 NZYZTHSCGJTRQR-NXMANWDSSA-N 332.447 5.183 30 40 EKEB C=C(C)COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4963492 WAXZERYFXCBCDH-LHGONGGSSA-N 340.507 5.249 30 40 EKEB O/N=C1\C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 16932382 DKBTVOCXPDAIGZ-UBYMJTJLSA-N 339.438 5.872 30 40 EKEB CC(=O)c1ccc(Cl)c(/N=C\c2cc(Cl)cc(Cl)c2O)c1 17128855 RZCHRSXEBHTAPB-GXHLCREISA-N 342.609 5.306 30 40 EKEB CCCCCCCCCCCCCCCCCCCC(F)(F)F 103526246 OILIHMLWISPAMY-UHFFFAOYSA-N 336.526 8.590 30 40 EKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 260840560 CJHWTYVEIFQMQR-HOLGIKFWSA-N 327.387 5.911 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2cccc([N+](=O)[O-])c2)c1C 408965086 GCEOWJOMRTXFQE-HMAPJEAMSA-N 347.418 5.315 30 40 EKEB CCN(CC)c1ccc(/C=N/CCC23CC4CC(CC(C4)C2)C3)cc1 4980839 WWYQPDJQZQCUIM-JJIBRWJFSA-N 338.539 5.558 30 40 EKEB C=CCOc1c(Cl)cc(CNC(C)(C)CC(C)(C)C)cc1OC 6857343 BSYNBNLLESSICQ-UHFFFAOYSA-N 339.907 5.218 30 40 EKEB CCCCCCCCCCCCCCCc1cccc2ccccc12 104145435 CRNKGYFOWLZFDQ-UHFFFAOYSA-N 338.579 8.474 30 40 EKEB Sc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2S)cc1 1560947 RQZGVAGCRIEKLM-JFMUQQRKSA-N 348.496 5.765 30 40 EKEB CCc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)cc1 34953724 QPGAHMCSELDQFG-UHFFFAOYSA-N 333.822 5.085 30 40 EKEB CCCCCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 100935807 ONLWNBYEWNAUOB-UHFFFAOYSA-N 343.342 5.476 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 408738152 QXANOKBWHJTKTA-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB N#Cc1nc(-c2ccccc2)oc1NCCc1cccc2ccccc12 526052205 FFVOBVWDKPPGEL-UHFFFAOYSA-N 339.398 5.021 30 40 EKEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccccc1C 44086722 ZTACXOQNVXCREE-UHFFFAOYSA-N 336.460 5.134 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1C 44844165 CUEAHYYJAVHVEF-MDZDMXLPSA-N 335.325 5.011 30 40 EKEB COc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2OC)cc1 100537406 TYISIADVNXXHSY-DFEHQXHXSA-N 344.414 5.205 30 40 EKEB S=C(N/N=C1/CCCC[C@H]1C1CCCCC1)Nc1ccccc1 103454293 IKORBEMWYVAYCK-FQMKLWGBSA-N 329.513 5.100 30 40 EKEB C=CCOc1ccc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223108366 BJBABPKOSQTAOA-JOCHJYFZSA-N 349.474 5.011 30 40 EKEB O=C1/C(=C\c2ccc(Cl)cc2)CC/C1=C\c1ccc(Cl)cc1 12340172 HOAWLEKLGGIUDF-UKVBVZPVSA-N 329.226 5.823 30 40 EKEB CCCCCCCCCC[C@H](CN(CC)CC)[C@H](O)c1ccccc1 100689528 AJZZOFSTWTUZKH-DHIUTWEWSA-N 347.587 6.209 30 40 EKEB c1ccc(/N=c2/scc(-c3cccs3)n2N=C2CCCC2)cc1 103454654 FKTXPVPCHSICPO-VHEBQXMUSA-N 339.489 5.289 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)csc1=Nc1cccc(C)c1C 254752919 RCDIUKGDWWXQSV-UHFFFAOYSA-N 334.488 5.560 30 40 EKEB Oc1ccccc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 345527 PMMOFNZFINEODN-WSDLNYQXSA-N 332.334 5.090 30 40 EKEB N#Cc1c(NC(=O)CCC2CCCCC2)sc2c1CCCCCC2 483682 LKQXHPLSQQLROE-UHFFFAOYSA-N 344.524 5.578 30 40 EKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCCCC1 521805 KWISICPXQQVLSO-CIAFOILYSA-N 349.261 5.440 30 40 EKEB Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C#N)c1C 1625175 MZZVYCIUYSJEMS-UHFFFAOYSA-N 344.245 5.188 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccccc3F)c2)c1 409202137 PEVMEGOWTHJXBK-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)c1 59426922 JTRSUZCJQPPJLH-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB N#Cc1cccc(/C=C/c2ccc(/C=C\c3ccccc3C#N)cc2)c1 83317300 JRVKAPLKKVWGKU-NQDQBVNISA-N 332.406 5.771 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(C2OCCO2)s1 100322067 YYFPIWOEBQYTIZ-UHFFFAOYSA-N 338.513 5.897 30 40 EKEB Cc1n[nH]c(C)c1/N=C/c1ccccc1OCc1ccccc1Cl 101549819 NBFBUBXTGQPXJQ-SRZZPIQSSA-N 339.826 5.010 30 40 EKEB CCc1ccccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408766733 FRLOFACGTLJQHV-HYARGMPZSA-N 347.418 5.315 30 40 EKEB N#Cc1c(/N=C/c2ccncc2)oc(-c2ccccc2)c1-c1ccccc1 408818643 PXXZTBCKTPMWJD-WGOQTCKBSA-N 349.393 5.631 30 40 EKEB CC/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1 8084126 AFOCOAHVOIUAGA-VXLYETTFSA-N 333.766 5.042 30 40 EKEB C=C1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 13408613 USISGGVIAQLXQF-KAKDVIIHSA-N 330.512 5.517 30 40 EKEB CC(/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O)=C\c1ccccc1 16661531 PDFYMQPBFCWICH-JGEPBQDUSA-N 348.471 5.141 30 40 EKEB CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CO1 43569511 VWYIWOYBERNXLX-GDCKJWNLSA-N 338.532 5.966 30 40 EKEB in-vivo CCCCCCCCCC[C@@H](CCCCCCC(=O)O)NC(C)=O 100301891 HOCXAEJKLQEEOU-IBGZPJMESA-N 341.536 5.447 30 40 EKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408775394 GZPFYHUMOKNMDK-FSJBWODESA-N 340.829 5.946 30 40 EKEB Clc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 2067458 SQAHURLNOBLJGN-LPYMAVHISA-N 348.858 6.367 30 40 EKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc2ccc3ccccc3c2c1 4280530 ALSSJJSVZAXYOI-MDWZMJQESA-N 342.825 6.543 30 40 EKEB COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 17124117 SUIREVDBTRETHW-DTQAZKPQSA-N 344.410 5.170 30 40 EKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 408787378 ZBKRPYRAHVKTIV-UUYOSTAYSA-N 343.257 6.152 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\C1CCCCC1 409085780 ZGIHFEZJNSKFCA-IWIPYMOSSA-N 337.507 5.612 30 40 EKEB Clc1ccc(Sc2ccc(/C=N/Nc3ccccc3)cc2)cc1 409115107 KDIYPSOVHVLUCV-KGENOOAVSA-N 338.863 5.937 30 40 EKEB Oc1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409246174 FZWIXYUMRQFEJO-ZVHZXABRSA-N 344.389 5.285 30 40 EKEB O=C1/C(=C\c2ccccc2Cl)[C@@H](c2ccccc2)Oc2ccccc21 135101 WIBPUZAXVOPNDF-OVWUPXBPSA-N 346.813 5.740 30 40 EKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@H]3[C@@H]1CC=CCC1 140597 SCKBSNSAYTXWKL-VFNWGFHPSA-N 344.458 5.416 30 40 EKEB O=C(Nc1cccc(Cl)c1)N1CCC/C1=N\c1ccc(Cl)cc1 17241962 HBHFELIMXGGCBL-CAPFRKAQSA-N 348.233 5.351 30 40 EKEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 38611223 SQRBBVVZRKZEPF-KIYFCUGLSA-N 340.507 5.130 30 40 EKEB CC(C)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 409248424 KFZKNFVIWZMCAP-HYARGMPZSA-N 332.403 5.050 30 40 EKEB CCOc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 1236095 UZMGRQMZXZPERM-XQNSMLJCSA-N 341.414 5.151 30 40 EKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c([N+](=O)[O-])c1 218994 VNKPTHBJNPXGPV-FYJGNVAPSA-N 347.374 5.103 30 40 EKEB CC(C)(C)c1cc(Oc2ccc(C#N)c(C#N)c2)cc(C(C)(C)C)c1 1630063 YLBBICDJFMVMNR-UHFFFAOYSA-N 332.447 5.817 30 40 EKEB CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(C)c(C)c2)NC1=O 12032474 GBYGLZPVJFPIGF-UFTLPMNOSA-N 348.471 5.141 30 40 EKEB N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Cl)cc1Cl 100914381 ADBCYVSXSOHYDN-SSDVNMTOSA-N 341.197 5.876 30 40 EKEB CCCCCCCCCCCCCCC[n+]1cccc2ccccc21 102375502 DERQAVGHMWLZMH-UHFFFAOYSA-N 340.575 7.219 30 40 EKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4ccco4)cc3)[C@@H]2C1 408936487 KLLFQFVYOQJMJJ-KQMYUEFMSA-N 340.426 5.857 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1C 409210494 KMVKCVBGVOVRSK-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB N#Cc1oc2ccccc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 3419173 QVJZZHAQWJPYMU-UHFFFAOYSA-N 346.173 5.255 30 40 EKEB N#CCCn1cc(-c2csc(-c3cccs3)n2)c2ccccc21 7844738 RQGBEAKYLUKVEE-UHFFFAOYSA-N 335.457 5.407 30 40 EKEB COc1ccc(C/N=C(/S)Nc2ccc(-c3ccccc3)cc2)cc1 13685325 CJRCFEUZFXFSCT-UHFFFAOYSA-N 348.471 5.260 30 40 EKEB CCCCCCCCNCc1ccc(OCc2ccccc2)cc1 101352086 ZGEDETSZNYFMHP-UHFFFAOYSA-N 325.496 5.716 30 40 EKEB N#Cc1c(NCc2ccccc2)nc(-c2ccccc2)c2c1CCCC2 20827817 AQXLPIVDEWRFMI-UHFFFAOYSA-N 339.442 5.111 30 40 EKEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCc1ccccc1Cl 96346543 IACPXOKJSCSGGB-CVEARBPZSA-N 349.821 5.083 30 40 EKEB C(=N/c1ccc(Nc2ccccc2)cc1)\c1cccn1-c1ccccc1 1102933 DDRIDGNFXZEOQV-HKOYGPOVSA-N 337.426 5.972 30 40 EKEB CN(C)CC[C@@]1(C2=CCCC2)CC/C(=C\c2ccc(Cl)cc2)C1=O 1625996 YPDVRXQZIAHANI-RLHAVTDZSA-N 343.898 5.135 30 40 EKEB COc1ccccc1/C=C1\CC(C)C/C(=C\c2ccccc2OC)C1=O 4472736 NQYKRTOCIWKIQP-PXXPDPNMSA-N 348.442 5.170 30 40 EKEB CCCOC(=O)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 5431159 UEOXOGYQNCKOBM-RGVLZGJSSA-N 336.218 5.311 30 40 EKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 5824840 UHLHSUGIPNYEPF-CRVGVPJFSA-N 332.399 5.204 30 40 EKEB biogenic O=C(/C=C/c1ccccc1Br)c1cc2ccccc2o1 6476588 CXRUJRVPSSGORK-MDZDMXLPSA-N 327.177 5.091 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 8371982 XLLOTDUQRZRTMN-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Cc1coc2c1c(C)cc1o/c(=N/N=C3CCCCC3)c3c(c12)CCC3 9341729 DWXWDMRGLLPNQO-ZNTNEXAZSA-N 348.446 5.505 30 40 EKEB N#Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216849285 NXBJKZHJUCOFTC-UHFFFAOYSA-N 347.028 5.751 30 40 EKEB C#Cc1cccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 228979437 GVCBNBWGPJQOHR-UHFFFAOYSA-N 344.254 5.285 30 40 EKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1 5546602 OOZCPRVGCADIPV-BUVRLJJBSA-N 345.442 5.642 30 40 EKEB CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C)c(C)c2)cc1 5597175 ANRCBMVRCHVRNE-OQKWZONESA-N 339.435 5.063 30 40 EKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCC 409120188 SGXXNADOQYQOFL-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C(C)C)cc3)cc2)cc1 409233101 KEDZZBLWKFPUAD-LFVJCYFKSA-N 345.511 7.020 30 40 EKEB Cc1cc(C)c(/C=N/c2ccccc2C(=O)Nc2ccccc2)c(C)c1 46515 NVEFPYGPEHQCHF-BUVRLJJBSA-N 342.442 5.615 30 40 EKEB CCCCCCCCOc1cc(O)c(C(C)=O)cc1Br 100927950 LMGLVWGWMAPMRT-UHFFFAOYSA-N 343.261 5.097 30 40 EKEB O=[N+]([O-])c1ccc(N/N=C(/N=N\c2ccccc2)c2ccccc2)cc1 104165656 GDFUXTMRKPSXDG-ZUKKZPQCSA-N 345.362 5.152 30 40 EKEB CCc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)cc1 198096713 CROKOOKVTBMMIM-FLVDCRJSSA-N 334.507 6.112 30 40 EKEB C=CCSc1ccccc1C(=O)NCc1cccc2ccccc12 222879736 KEYCUZXVBGOPMF-UHFFFAOYSA-N 333.456 5.048 30 40 EKEB CCCCCCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1 256430487 OUUJTVZTPFJGMR-UHFFFAOYSA-N 334.463 6.048 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\OCc2ccccc2)c1C 408855477 FMCBWKRFYIBLBI-IWIPYMOSSA-N 346.474 5.516 30 40 EKEB O=C(/C(=C\c1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 4963817 ACGIFXQJLCRIQL-ZHZULCJRSA-N 334.802 5.469 30 40 EKEB Cc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 16661697 QMAKTSZFIDMXJM-VXLYETTFSA-N 327.840 5.218 30 40 EKEB CCCCCCCCCC[C@@H](CN(CC)CC)[C@@H](O)c1ccccc1 100689531 AJZZOFSTWTUZKH-GOTSBHOMSA-N 347.587 6.209 30 40 EKEB CCOc1ccc(Cl)cc1/C=N/c1cccc(Br)c1 409101895 ZEQVXQVKJYLROU-VCHYOVAHSA-N 338.632 5.252 30 40 EKEB Cc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1Cl 6815208 UOKCGLNIRQOSOJ-OEAKJJBVSA-N 335.834 5.695 30 40 EKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCC)c(Cl)c2)cc1 6962245 KROGLVKQUYJULN-RGVLZGJSSA-N 338.234 5.541 30 40 EKEB Cc1ccc(/N=C2/C=C/C(=N/c3ccc(C)cc3)c3ccccc32)cc1 13648492 ZLQGCPSMAWEPCT-YPAXQUSRSA-N 336.438 6.115 30 40 EKEB C=CCSc1ccccc1C(=O)NCc1cc(CC)ccc1CC 224854181 OYJFGDNUHXOFIZ-UHFFFAOYSA-N 339.504 5.020 30 40 EKEB CCc1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 409056786 NVEFHKZXHQQMQO-WUKNDPDISA-N 327.427 5.725 30 40 EKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)c1C 409217021 QVPGUFNWVKRDAM-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccc(N=Nc2ccc(N/C=C/C(=O)c3cccs3)cc2)cc1 409355902 FGYDUSFZUCRYNL-PZFGMSNSSA-N 347.443 6.280 30 40 EKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 409359148 WEUQJUOQUDRPAS-VQHVLOKHSA-N 343.732 5.459 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(OC)c2)cc1OC 409375012 DBQWKXYVKWIERP-XMOVILSBSA-N 347.842 5.285 30 40 EKEB Cc1ccsc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 179866 WOCGAFVZZPJWGL-SFHVURJKSA-N 338.476 5.278 30 40 EKEB O=[N+]([O-])c1cc(/N=C/c2cccnc2)cc2ccc3ccccc3c12 3196710 WETRFYXAGSYSNR-LPYMAVHISA-N 327.343 5.047 30 40 EKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)c(Cl)c1 4459090 JGHFDLIBYHZMBE-DJKKODMXSA-N 348.258 5.563 30 40 EKEB Clc1ccc(/C=N\N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 16981030 YBSMZQHLLSYRAG-DWVBSFERSA-N 346.044 5.753 30 40 EKEB Cc1ccc(/N=C/c2c(C)n(C)c3ccccc23)c(Br)c1 59247881 WRBOZXZPUSDZOZ-RGVLZGJSSA-N 341.252 5.308 30 40 EKEB C=CCn1c(SCc2ccccc2)nnc1-c1cc2ccccc2o1 532463 JCVAXOWYMFAEIH-UHFFFAOYSA-N 347.443 5.170 30 40 EKEB Cn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(Cl)cc3)ccc21 4859453 ZBWFCXURFQIAPF-MDWZMJQESA-N 345.829 5.881 30 40 EKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 5531837 GEQXLXDIQXGOSB-PDGQHHTCSA-N 336.460 5.010 30 40 EKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1 5548995 ZDANXYDKSZRQPK-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB CCCCCCCCNCc1ccccc1OCc1ccccc1F 102562033 PTCYWEKSVPVWSO-UHFFFAOYSA-N 343.486 5.855 30 40 EKEB C[C@@H]1/C(=N\O)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 105313051 IXJNSRRYDLWBGA-HMVDYTRCSA-N 349.261 5.235 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2C)c1C 408959806 GDUYRDXTSNMFED-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB Cc1ccc(-n2cccc2/C=N\c2ccc(N(C)C)cc2)cc1Cl 409015853 BZYIJHVKBDKIRK-HMAPJEAMSA-N 337.854 5.256 30 40 EKEB CCn1c(C)cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c1C 409068020 GXUYNZZZQHTABE-HZHRSRAPSA-N 332.447 5.976 30 40 EKEB Cc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F 575358312 GUTUSKZKGISZPQ-UHFFFAOYSA-N 338.222 5.164 30 40 EKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3C)n2)cc1 6477768 RKLUAILYXBUIDZ-MOHJPFBDSA-N 346.459 5.075 30 40 EKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC[N+](C)(C)C 104375408 QYQCXBUVXGRVKB-LEWJYISDSA-N 326.589 5.941 30 40 EKEB CCCCCCCCCCCC[C@H](CCCCCCCC)C(=O)O 114647043 AUCFNMITBOAMCS-NRFANRHFSA-N 340.592 7.749 30 40 EKEB in-vitro CC(C)c1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 408722203 FELMLTKLITUVTA-LPYMAVHISA-N 332.472 5.783 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OC 409120703 VUQCXCPLAQKALY-UHFFFAOYSA-N 331.843 5.142 30 40 EKEB Brc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1 409202962 TXMNOCARLRJHIQ-XDHOZWIPSA-N 342.192 5.585 30 40 EKEB C=CCOc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 409207372 SWIPSRVAWNOYPX-UHFFFAOYSA-N 342.653 5.824 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(F)c3)c2C#N)C1 409208637 DBTUSGQRFZYLDT-IIHGDPFSSA-N 340.467 5.660 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2ccc(C)c(Cl)c2)cc1 409208919 DFTHELIIPVIKSL-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Clc1ccccc1-c1nc(/C=N/Nc2ccccc2)c2ccccn12 4426633 AUSBGUCAZPMGND-HYARGMPZSA-N 346.821 5.101 30 40 EKEB Brc1cccc2c(/C=N\Nc3ccccc3)cccc12 4701157 CKTPAHXEVYCZCQ-UNOMPAQXSA-N 325.209 5.048 30 40 EKEB Cc1ccccc1N[C@H](C#N)c1ccccc1OCc1ccccc1 12649866 QWGLRIVLYBQPPT-OAQYLSRUSA-N 328.415 5.251 30 40 EKEB N#Cc1ccc(Oc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 58158989 WEFCLEZSGQECRA-UHFFFAOYSA-N 349.393 5.475 30 40 EKEB CCCCCCCOc1ccc(C=O)c(OCCCCCCC)c1 59608627 HEBHKALAWQWMDH-UHFFFAOYSA-N 334.500 6.198 30 40 EKEB COc1ccc(C(N=Nc2ccccc2)=NNc2ccccc2)cc1 254857832 FKTMYMAIOJZZLV-UHFFFAOYSA-N 330.391 5.253 30 40 EKEB Clc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 408850316 LEYYRULAFPGDOB-NHDPSOOVSA-N 349.648 6.188 30 40 EKEB CCCCCCCCNC(=S)Nc1ccc2nc(C)sc2c1 408979872 SUAWWFIFEYMIPJ-UHFFFAOYSA-N 335.542 5.252 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(N(C)C)cc3)cc2)cc1 409221581 SHLATAZPSLZZCM-KQWNVCNZSA-N 346.499 5.963 30 40 EKEB C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1 13586067 MYFHJUICAFESAG-YDZHTSKRSA-N 349.305 5.805 30 40 EKEB COc1ccc(/C(=N\c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 16955397 UXKVOBSXYDGOLY-DQRAZIAOSA-N 346.386 5.081 30 40 EKEB Clc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1Cl 18068301 HYXSMGJMBJUFLQ-FSJBWODESA-N 338.237 6.315 30 40 EKEB O=C(Nc1cccc(Cl)c1)[C@H]1CCC/C1=N\c1cccc(Cl)c1 101196899 AGXFOJPZNKUIGM-HGSNWSKYSA-N 347.245 5.505 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 102957782 VUSRSDIZUAXEKP-RGVLZGJSSA-N 340.766 5.567 30 40 EKEB Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 103752444 FNPACFQZHCICBZ-OEAKJJBVSA-N 349.817 5.618 30 40 EKEB Cc1cc(/C=N/c2cccc3cccnc23)c(C)n1C1CCCCC1 408742328 WCLMANLHAKEILS-BUVRLJJBSA-N 331.463 5.909 30 40 EKEB CCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1[N+](=O)[O-] 2275187 YKZIQCKTCRDJEQ-UHFFFAOYSA-N 338.407 5.483 30 40 EKEB O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)s1)c1ccccc1 5681115 VIQHSHAWEBVVRY-WXUKJITCSA-N 344.435 5.540 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 8371945 ZIVAJTVYWSDUOI-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Fc1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59250534 GVCFFZNOTRQPJA-UDWIEESQSA-N 343.199 5.130 30 40 EKEB CCCCCCCOc1ccc(C(=O)c2ccc(Cl)nc2)cc1 100594867 PASZUADAWSBSOZ-UHFFFAOYSA-N 331.843 5.315 30 40 EKEB O=C(/C=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 408618054 BTUIYPKWEYWUAS-BUHFOSPRSA-N 348.829 5.815 30 40 EKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccccc2CC)c1C 408968322 VJMVGNIPPZMPRI-LFVJCYFKSA-N 330.475 5.970 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 4064627 DMTBSHREHVZJEF-CCEZHUSRSA-N 327.427 5.779 30 40 EKEB Cc1ccccc1-c1nc2ccc(/N=C/c3ccccc3O)cc2o1 98086878 WINKGMZCCQBJEQ-LPYMAVHISA-N 328.371 5.259 30 40 EKEB C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC 101261142 SBRJFDJPIAPOCA-MLCQCVOFSA-N 335.491 5.186 30 40 EKEB CCCCCCCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 303244578 IUZHJSSMJJBIHK-UHFFFAOYSA-N 346.320 5.115 30 40 EKEB CCC(O)=Nc1ccc(Cl)c(N=C(O)c2cc(F)ccc2C)c1 330032531 OYRVSTOVXNEUEF-UHFFFAOYSA-N 334.778 5.422 30 40 EKEB Cc1cccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 409211977 PLEOKJCKVGGQAR-JCRYTKJOSA-N 337.492 5.225 30 40 EKEB C=C(C)CC1(Nc2ccc(C)cc2C)CCC(c2ccccc2)CC1 4114301 FIIUMWALGONTOQ-UHFFFAOYSA-N 333.519 6.778 30 40 EKEB O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1 5395809 AAEPUKIGVYAVDF-HKWRFOASSA-N 342.825 5.917 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 8371988 YJZXHTHQSUMUBO-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB COc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20242180 NPAMNWHKHAEQRM-PCLIKHOPSA-N 345.486 5.914 30 40 EKEB CCCCCCCNCc1cccc(OC)c1OCc1ccccc1 78645612 OKBAMLDTQCIKSN-UHFFFAOYSA-N 341.495 5.334 30 40 EKEB CCCCc1oc2ccccc2c1/C=C1/Cc2c(O)cccc2C1=O 89954844 HPJZLMDIPKLIQR-YPKPFQOOSA-N 332.399 5.303 30 40 EKEB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935113 KMGUZSMFRZSYPE-GVTMYGEHSA-N 342.523 5.216 30 40 EKEB CC1(C)C[C@@](CC#N)(Cc2ccccc2)[C@H](Cc2ccccc2)CO1 2282064 SIEWHMGJYVAERM-FYYLOGMGSA-N 333.475 5.187 30 40 EKEB O=C(/C=C(\Nc1cccc2ccccc12)c1cccs1)C(F)(F)F 4661752 IGGOTFQNCHDLAT-PTNGSMBKSA-N 347.361 5.486 30 40 EKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5150121 OJHKHQMBKMNFTA-ODLFYWEKSA-N 340.806 5.301 30 40 EKEB N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 6648817 JTOJDLDHTLXISW-UHFFFAOYSA-N 348.789 5.256 30 40 EKEB CCCCCCCCCCCCCCCCNCCCNCC 100016117 MSBQEHHVLDLADY-UHFFFAOYSA-N 326.613 6.057 30 40 EKEB N#Cc1c(/N=C\c2cccc(Br)c2)sc2c1CCCC2 101206569 UEMKXMIZTLGMCW-GRSHGNNSSA-N 345.265 5.012 30 40 EKEB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@]1(C)CO1 118918045 NDJUVJCBLCBNQW-FNCBCKFASA-N 330.512 5.003 30 40 EKEB CC(C)(C)[C@@H]1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1 495805 HAYFFPKYRICYAU-LLVKDONJSA-N 328.506 5.495 30 40 EKEB O=C(/C=C/c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4076343 KTPIUKVFNGQVRL-ZZXKWVIFSA-N 345.280 5.248 30 40 EKEB CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 16955367 QIXYIBIIMNDKCW-KLQCNHIUSA-N 342.310 5.334 30 40 EKEB O=C(/C=C\c1cc(Br)cs1)c1ccc(Cl)cc1 33373948 PSSJEANURYCSPI-WAYWQWQTSA-N 327.630 5.060 30 40 EKEB CCCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 100670096 FQJDUIYDKXYUQI-QGOAFFKASA-N 336.475 6.322 30 40 EKEB c1ccc(N/N=C2/CCC[C@H]3/C(=N\Nc4ccccc4)CCC[C@H]23)cc1 104097823 QPWBQKFQGBTMQA-IABYJCAFSA-N 346.478 5.523 30 40 EKEB CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC[N+](C)(C)C 104375406 QYQCXBUVXGRVKB-NHCUHLMSSA-N 326.589 5.941 30 40 EKEB COc1ccc(/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 223475018 ZDRMAPFEUARSKL-IWIPYMOSSA-N 348.490 5.856 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N/c2cccc(C(=O)O)c2C)cc1Cl 409019591 JWNDRGCAZZHPJY-OVMKCGGTSA-N 345.826 5.275 30 40 EKEB Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 409087796 KABLFJVAJNFCOJ-FYJGNVAPSA-N 348.358 5.152 30 40 EKEB Cc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1C 408932804 FCFGRISNGQSRDC-ZMOGYAJESA-N 342.364 5.864 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl 409215498 ZZSVTSCYTSHUDY-SRZZPIQSSA-N 332.230 5.373 30 40 EKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cccc3ccccc23)c1 4928307 YHXIFPSMJSLVHV-FOKLQQMPSA-N 348.755 5.958 30 40 EKEB CO/N=C(/CSc1cccc(Cl)c1)c1ccc(Cl)cc1 5526064 PMXOGNLLYJVTHJ-SDXDJHTJSA-N 326.248 5.136 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2cccc(F)c2)c1 8368203 ISFDQXOBJMINAS-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CCOc1ccc(/N=N/c2ccc(O)c(/C=N/c3ccccc3)c2)cc1 17970039 YSZLEWZJJPLNRZ-XYUREOLFSA-N 345.402 5.957 30 40 EKEB CCc1ccccc1/N=C/c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 59104353 FQLSGZVDOOBCSG-LPYMAVHISA-N 333.387 5.266 30 40 EKEB Cc1cc(/C=N/c2cccc(Cl)c2Cl)ccc1N1CCCC1 59104887 OPXFVDFZZFOOKM-CIAFOILYSA-N 333.262 5.653 30 40 EKEB Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccccc2)cc1 96429981 QXKCUZHGBOWGNG-BUVRLJJBSA-N 341.389 5.429 30 40 EKEB Cc1cccc(/C=N\c2ccccc2/N=C\c2cccc(C)c2O)c1O 104373703 DNVUYVBRNCWGAK-GACBQCINSA-N 344.414 5.216 30 40 EKEB CC(=O)[C@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916938 HCFSGRMEEXUOSS-DEDMPRLZSA-N 340.507 5.280 30 40 EKEB COc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1Cl 143829978 GFIPQHHMFXMNQQ-KGENOOAVSA-N 328.843 5.090 30 40 EKEB N#Cc1cc(C(F)(F)F)ccc1Sc1c(Cl)cccc1Cl 3104749 CZAPYKTUUREBCW-UHFFFAOYSA-N 348.176 6.035 30 40 EKEB OC1=NC(=N\c2cccc(F)c2)/C(=C/c2ccc3ncccc3c2)S1 72401503 YKBLPCXFZGVZLB-YVLHZVERSA-N 349.390 5.106 30 40 EKEB Oc1c(C=Nc2ccc(Oc3ccccc3)cc2)ccc2ccccc12 260840566 FBDYQLDIFTXMEX-UHFFFAOYSA-N 339.394 6.088 30 40 EKEB N#Cc1ccccc1CO/N=C\c1ccccc1Sc1ccccc1 408593545 BENHRUDOMUIBSH-HAHDFKILSA-N 344.439 5.260 30 40 EKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408789161 KDGZEXXSNAHVBU-JJIBRWJFSA-N 330.475 6.187 30 40 EKEB CCn1c(C)cc(/C=N/c2ccc(Br)c(Cl)c2)c1C 409092016 WWEPJUPHKUIJAQ-GIJQJNRQSA-N 339.664 5.291 30 40 EKEB Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)c(F)c3)cc2)cc1F 2133269 MZTOBIGAEJNZRK-BKHCZYBLSA-N 348.396 6.083 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c(C)cc(C)cc2C)c1 3166605 NTFKEOAFYQTNLP-UHFFFAOYSA-N 336.479 5.702 30 40 EKEB CCCCC(=N/Nc1nc2ccccc2s1)/N=N/c1ccccc1 4832875 VPFOFYWAIONXGR-QMHWDSPHSA-N 337.452 5.996 30 40 EKEB CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br 6963907 SIAPICWRQNYTAQ-YBFXNURJSA-N 332.241 5.215 30 40 EKEB CN(C)c1ccc(/C=C2\C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 12949669 NNOVCZSXXYEXKA-YTMAHBJJSA-N 339.438 5.164 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 493048 MHVRYHFVOKXUDT-RXRGDLQPSA-N 342.398 5.237 30 40 EKEB Oc1ccc2ccccc2c1/C=N/Nc1ccccc1C(F)(F)F 4933116 OHQNMZDAAPXLND-SSDVNMTOSA-N 330.309 5.010 30 40 EKEB CO[C@H]1CCCC[C@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 5707471 MPUDTZVWARYYCZ-XKRYSZRTSA-N 345.527 5.287 30 40 EKEB COc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318729 FWDANZORQIZAPB-ZHACJKMWSA-N 329.827 5.281 30 40 EKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 4747127 HXCUOMWEFYLIDI-LHSJRXKWSA-N 335.472 5.507 30 40 EKEB N#Cc1nc(-c2ccccc2Cl)oc1NCc1ccccc1Cl 4994356 SUNUZRZBMSLLPS-UHFFFAOYSA-N 344.201 5.132 30 40 EKEB Cc1[nH]c(=S)c(C#N)c(C)c1/N=N/c1cc(Cl)ccc1Cl 5530773 CQFTTZWDKVIPPM-FMQUCBEESA-N 337.235 5.955 30 40 EKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 8371900 HIUNDUKREGCWBY-ZVHZXABRSA-N 349.405 5.472 30 40 EKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 12858454 ZBHGNOWSWTWLBE-NHDPSOOVSA-N 334.415 5.381 30 40 EKEB biogenic Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)o1 13787300 CXDPSGLTZGKPHY-MTJSOVHGSA-N 346.382 5.092 30 40 EKEB CC/C(=N\N=C(/CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 17287854 QUCRXQATTOMCFW-KSTNYAOJSA-N 333.262 6.007 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc(C)c3C)c2C)c1 100116485 GWYHZMHWUVVRLE-ZVHZXABRSA-N 330.475 6.078 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 409212249 OGLZNPHJOYIMNX-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB Cc1ccc(COc2ccc(/C=C3\Cc4ccccc4C3=O)cc2)cc1 409373495 WRERUISIKNRJCV-KGENOOAVSA-N 340.422 5.396 30 40 EKEB CCc1ccc(C(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2294928 IEPNKRHJRLWCGM-UHFFFAOYSA-N 338.406 5.130 30 40 EKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccccc2)c2ccccc21 2431994 VJIWWQYBJJTYSK-JOCHJYFZSA-N 341.435 5.553 30 40 EKEB Clc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 408855907 HZOODQDBLJDQRA-NHDPSOOVSA-N 349.648 6.188 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)cc1 409188100 AJPWGXMTISUNFL-HZHRSRAPSA-N 348.446 5.252 30 40 EKEB CC1(C)C[C@H]([C@H](CC/N=C/c2ccccc2)c2ccccc2)CCO1 4785735 VSHGZYNYQYFIKY-DHIZSMKNSA-N 335.491 5.485 30 40 EKEB CCCCCc1ccc(C(=O)N2C=Cc3ccccc3[C@@H]2C#N)cc1 5614845 OUKIPYQZBNPCSJ-NRFANRHFSA-N 330.431 5.111 30 40 EKEB Cc1ccc(C)c(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 6793664 MVHFJGVOJKCTIP-UHFFFAOYSA-N 325.411 5.480 30 40 EKEB COc1cccc(OCc2ccccc2)c1C(=O)/C=C\c1ccccc1 33376537 YEYPTFXSFIQHEC-NXVVXOECSA-N 344.410 5.170 30 40 EKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCC 409122034 WSVYHFNCDBLXQG-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(C)cc(Br)c1O 568856 RUNCIJDEGWTJRO-AYPRBGQRSA-N 346.268 5.727 30 40 EKEB C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4925837 DBXJFVCYXBXANX-HAVVHWLPSA-N 334.850 5.771 30 40 EKEB C=CCS/C(=N\C#N)S/C=C/C(=O)c1cccc2ccccc12 5382811 FKHSYCDKTGFFIC-QPFNBDDSSA-N 338.457 5.026 30 40 EKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 5934988 BUHYKYVZQNOJHX-SRZZPIQSSA-N 330.218 5.378 30 40 EKEB Fc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8380022 ULZDVVRUKTZSLI-MFKUBSTISA-N 333.450 6.044 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(/N=N/c3ccccc3)cc2)cc1 32100088 DHZKZZNYLTUXJU-VDNSQZRBSA-N 341.414 6.219 30 40 EKEB CCCC/N=C1\S/C(=C/c2ccc(CC)cc2)C(=O)N1CCCC 35042065 VKIVVSJGLLIRCI-MOOSWKITSA-N 344.524 5.122 30 40 EKEB CCCCCCCCCCCCCCCCCC[N+](C)(C)CCO 38158621 KDOKFXJQGPCGLT-UHFFFAOYSA-N 342.632 6.317 30 40 EKEB Cc1ccc(/C=C/C(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 59503636 RQKZZGWAMWFBIL-BUHFOSPRSA-N 339.438 5.411 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)C2 100006271 AOWSCJKKFKCUOW-KKWWACHDSA-N 347.458 5.713 30 40 EKEB CCCCCCCCCCCCC(=O)N(CCCC)CCCC 104156438 RYZAOJUQAWATCE-UHFFFAOYSA-N 325.581 6.726 30 40 EKEB Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 408738235 SJMZEOQPXIOMPP-WSDLNYQXSA-N 343.257 6.152 30 40 EKEB CCc1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408960991 KUCVRGYXOUZYMH-LPYMAVHISA-N 333.387 5.266 30 40 EKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1Br 58479 HFWBJAZLWOURQE-UHFFFAOYSA-N 341.233 5.111 30 40 EKEB CSc1nc2c(c(-c3cccs3)c1C#N)CCc1ccccc1-2 1017333 FGGDTJVEZSKJEG-UHFFFAOYSA-N 334.469 5.169 30 40 EKEB Cc1ccc([C@H](CC/N=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 2277953 AZIRMXJZJODAMB-IFYFYUDCSA-N 349.518 5.793 30 40 EKEB CCCCCCCCCCCc1nnc(-c2ccc(Cl)cc2)o1 3022769 JCLOAFAUKGLPSO-UHFFFAOYSA-N 334.891 6.463 30 40 EKEB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935112 KMGUZSMFRZSYPE-BRGMHITCSA-N 342.523 5.216 30 40 EKEB O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 253567001 JPSOPAAFFKYZRA-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB Cc1ccc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)c(C)c1 408719099 IZEDZKSNOASOHJ-CIAFOILYSA-N 349.390 5.226 30 40 EKEB O=C(O)c1ccc(-n2cccc2/C=N/c2cccc3ccccc23)cc1 408937340 QJVUDJRKOFHSCA-HZHRSRAPSA-N 340.382 5.079 30 40 EKEB CCCCc1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 408953994 RITDMADWBPAAEL-HKOYGPOVSA-N 345.490 5.637 30 40 EKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OC 409109459 FHMYXCLCUCJXBN-UHFFFAOYSA-N 331.843 5.006 30 40 EKEB C[C@H](CN1CCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 1593324 SFALPZNMBQNSLE-HXUWFJFHSA-N 332.491 5.008 30 40 EKEB Clc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(Cl)c1 5774183 FRMLPSIDXFEGFY-HYARGMPZSA-N 341.241 6.166 30 40 EKEB CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 8432230 NVCIBCALQWQAKR-OAHLLOKOSA-N 346.540 5.824 30 40 EKEB CCOc1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)ccc1O 40161443 VGIYZNRAKQJAQC-QPJJXVBHSA-N 342.778 5.087 30 40 EKEB CCCCCCCc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 100314572 YUJJFNYIHGXTFF-UHFFFAOYSA-N 338.447 5.356 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cccc(Cl)c1C 101471381 KROZFCAMJNXCIT-UHFFFAOYSA-N 336.947 7.532 30 40 EKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5162939 LTSHSCXICDLPHW-MTJSOVHGSA-N 348.442 5.555 30 40 EKEB CCCCCCCCCCCCCCOC(=O)[C@@H](C)OC(C)=O 104394535 GSUIFWVFZIMJEO-QGZVFWFLSA-N 328.493 5.182 30 40 EKEB Cc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409017822 VXKWKFGWMUYOOR-DEDYPNTBSA-N 339.236 5.299 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C#N)C1 209983 WQYFYKIQHJQKML-AWEZNQCLSA-N 338.476 5.023 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1C 44844136 NRYBBAJEBSTSJF-BQYQJAHWSA-N 348.215 5.014 30 40 EKEB CCCCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1 2074790 OUYMHQWTYQDKRA-UHFFFAOYSA-N 338.491 6.686 30 40 EKEB CC1(C)C/C(=N\O)[C@H]2C=C(c3ccccc3)N(c3ccccc3)[C@@H]2C1 4733303 NZYZTHSCGJTRQR-AOSVCMBKSA-N 332.447 5.183 30 40 EKEB COc1ccccc1/C=N\c1ccccc1/N=C\c1ccccc1OC 5514990 BCOAYYXZJUIOQY-MPKYGIEOSA-N 344.414 5.205 30 40 EKEB Oc1ccccc1/C=N\c1nc(C23CC4CC(CC(C4)C2)C3)cs1 12436433 MDZPQWBMHRKDAU-NHDPSOOVSA-N 338.476 5.067 30 40 EKEB N#Cc1ccccc1-c1ccc(CSc2nccn2C2CC2)cc1 12506599 AJBGBQPXWFGCKW-UHFFFAOYSA-N 331.444 5.049 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 59104692 LUJCPIUSXLEXLC-ZDSQJECRSA-N 345.490 5.807 30 40 EKEB COc1ccc(C(=O)/C=C/Nc2ccc(Nc3ccccc3)cc2)cc1 409178257 KAPYYMUMIQOBKA-FOCLMDBBSA-N 344.414 5.247 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 409203758 XUZLCZYWHNWCDT-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Cc1ccc2oc(-c3cccc(/N=C/c4cccc(Cl)c4)c3)nc2c1 2067335 GFZQRZQQIHKKRP-YDZHTSKRSA-N 346.817 6.207 30 40 EKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(F)cc1 2676799 UQUNMLCQMUTRIK-UHFFFAOYSA-O 345.850 5.425 30 40 EKEB CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccn2)c1O)CCCC3 5726727 KEHDVZDBLPDJAJ-ZMOGYAJESA-N 348.446 5.460 30 40 EKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C#N)cc1 6047398 QJUVBDAYADFTPA-LSHDLFTRSA-N 337.732 5.067 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OCC 8084351 IINREHLCWWHGDA-HYARGMPZSA-N 343.854 5.617 30 40 EKEB Brc1ccc(/N=C(/c2ccccc2)c2ccncc2)cc1 101063624 PCFXIKFHNGCKDC-UZYVYHOESA-N 337.220 5.013 30 40 EKEB Cc1cc(/N=C\c2c(C)n(C)c3ccccc23)ccc1Br 103593725 NCDIKDLICVLSIU-JAIQZWGSSA-N 341.252 5.308 30 40 EKEB c1ccc(N/N=C2/CCC[C@@H]3/C(=N/Nc4ccccc4)CCC[C@@H]23)cc1 104097828 QPWBQKFQGBTMQA-BFLOUQNPSA-N 346.478 5.523 30 40 EKEB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)Sc2ccccc21 196434 GQYZOJWGABEMDC-WQRHYEAKSA-N 338.815 5.930 30 40 EKEB CCCCCCCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 2569868 SWACKDWUUGZDRD-UHFFFAOYSA-N 335.447 5.680 30 40 EKEB N#Cc1ccc(NN=C2CCCCCCCCCCC2)c([N+](=O)[O-])c1 4519769 SCWAJGQQESYVOZ-UHFFFAOYSA-N 342.443 5.539 30 40 EKEB COc1ccc2cc(/C(C)=N/Nc3ccc(C)c(Cl)c3)ccc2c1 4925173 PTANHMITWJETAC-HYARGMPZSA-N 338.838 5.646 30 40 EKEB FC(F)(F)c1ccccc1N/N=C/c1ccc(Cl)cc1Cl 5416257 JSYMVUDGXYVKMM-DNTJNYDQSA-N 333.140 5.458 30 40 EKEB CCCCCCCCCCCC[C@H](CO)CCCCCCCC 102214261 AIFYEUWTOFTMPG-JOCHJYFZSA-N 326.609 7.657 30 40 EKEB in-vitro COc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C 198076998 VWKUZFRSCIIJNL-BRABVMKYSA-N 336.479 5.476 30 40 EKEB Cc1ccc(C)c(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408847537 NIPNKRABZKFYPN-ODLFYWEKSA-N 347.256 5.010 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc1 409067046 IYRPNSWPUZBYTI-FOCLMDBBSA-N 329.399 5.596 30 40 EKEB CCN(CC)c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409104855 IWRIOOBETLRRFD-XQNSMLJCSA-N 339.458 5.023 30 40 EKEB C/C(=N\OC(=O)c1ccc(C)cc1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 4084791 ABRMQAQDGKDZDO-NPKALDHYSA-N 335.447 5.455 30 40 EKEB c1ccc(C2CCC(=NN=C3CCC(c4ccccc4)CC3)CC2)cc1 5446410 QBGVIZAMKUGZNR-UHFFFAOYSA-N 344.502 6.499 30 40 EKEB CCCCCC1CCC(c2ccc(C(=O)OCCC#N)cc2)CC1 6471860 BNMRRCLOZYFYGG-UHFFFAOYSA-N 327.468 5.611 30 40 EKEB C=CCOc1c(Cl)cc(CNC2CCCCCCC2)cc1OC 8470119 WTNXJFMKLWNAIP-UHFFFAOYSA-N 337.891 5.116 30 40 EKEB C=C(C)C1(O)[C@H]2CC[C@@H]1c1c(Cl)c(Cl)c(Cl)c(Cl)c12 45071241 BSPYPTZTVZADKJ-IOETWPSPSA-N 338.061 5.582 30 40 EKEB CCCCCCCP(=O)(CCCCCCC)CCCCCCC 100072397 KNFWHHCXXKWASF-UHFFFAOYSA-N 344.564 8.261 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(Cl)cc3)c2C)c1 100116789 NHLJBQLNRIXQSO-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(C(=O)O)cc2)o1 408912479 GTTIRNFAMPMAEM-SRZZPIQSSA-N 339.778 5.357 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1O 4722705 BKAQLPYRQWWKRT-GORDUTHDSA-N 327.594 5.249 30 40 EKEB O=C(/C=C\c1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1 33376412 SSUIJQHAMVDKLZ-MSUUIHNZSA-N 342.825 5.636 30 40 EKEB C/C(=N\Cc1cc(Cl)ccc1Cl)c1cc2ccccc2oc1=O 68601433 FWWAHRFBCHBHBO-SRZZPIQSSA-N 346.213 5.109 30 40 EKEB CCCCCCCCCCCCSc1nc(C)cc2c1C(=O)OC2 98008421 KVRZCZNNPLEZFL-UHFFFAOYSA-N 349.540 6.073 30 40 EKEB CCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 102191638 FFDOQLKPICOCNH-ISLYRVAYSA-N 332.491 6.567 30 40 EKEB CCCCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 105345456 REMYVKWOTUAQDE-UHFFFAOYSA-N 335.875 5.669 30 40 EKEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2cccc(Cl)c2Cl)c1 409105456 JUNQJFZHDKATNO-IDUWFGFVSA-N 329.570 5.306 30 40 EKEB C[C@@H]1CCC[C@@H]1/C(=N/c1ccc(Cl)c(Cl)c1)N1CCCCC1 17426394 IMPYITBOWWOOET-IAADXIDXSA-N 339.310 5.946 30 40 EKEB COc1ccc(C2=C(N(C)C3CCCCC3)c3ccccc3C2=O)cc1 20215805 VQMSGQGDVLWQNT-UHFFFAOYSA-N 347.458 5.024 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc3c2CCCC3)cc1 44842921 NUBBNELBFTYWGP-FOCLMDBBSA-N 349.474 5.553 30 40 EKEB Cc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)o1 103639259 TWOLWMMBBBLHCP-HYARGMPZSA-N 327.387 5.191 30 40 EKEB C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118935617 SQRBBVVZRKZEPF-HPTKSSEUSA-N 340.507 5.130 30 40 EKEB O/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 253566058 IMMRWCYTYVZQRY-UFFVCSGVSA-N 346.213 5.534 30 40 EKEB COc1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 408742216 VHPGSIDIWDCTRF-UCQKPKSFSA-N 332.447 5.470 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl 409009390 FDCVWMPJWDKOLW-ZDFPAGSVSA-N 332.787 5.176 30 40 EKEB Oc1ccccc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 266100 UZEHMVRGLARGHX-CIAFOILYSA-N 346.411 5.125 30 40 EKEB COc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1Cl 6995685 QDBJCHQOEXCLBR-JUZSNXDQSA-N 340.637 6.071 30 40 EKEB CCCCCCCCCCCCNC1=CC(=O)OC12CCCCC2 8424555 YLAQOYXDQQBJMO-UHFFFAOYSA-N 335.532 5.641 30 40 EKEB Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccc3ncccc3c21 13564300 QDIOXQSYJBYDOT-JOCHJYFZSA-N 340.426 5.108 30 40 EKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)C2 100006273 AOWSCJKKFKCUOW-ISWURSPMSA-N 347.458 5.713 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3ccc(C)c(Cl)c3)c2)cc1 409216765 LIUWUZOAEPLKLE-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C#N)cc2)cc1OC 409387845 SBUQLSSWLOMFGZ-UMYHVIPVSA-N 342.826 5.148 30 40 EKEB N#Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 64471 RXRLSWWNGUMZCJ-KOEQRZSOSA-N 348.409 5.162 30 40 EKEB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)Sc2ccccc21 498520 MZZOSOZHIGZQJQ-ZHZULCJRSA-N 330.408 5.808 30 40 EKEB C=CCCCCCCCCC(=O)Nc1ccccc1Br 2061892 CDCJCOVIZBJUSO-UHFFFAOYSA-N 338.289 5.694 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1 51318679 FJYQTAJDFSRSRA-ZHACJKMWSA-N 344.252 5.381 30 40 EKEB CCCCCCCCCCSc1nc(-c2cccc(C)c2)n[nH]1 97965960 TVGCYHDQBAGMFI-UHFFFAOYSA-N 331.529 6.013 30 40 EKEB CCCCC/C=C/C/C=C/C=C/C=C\[C@H]1O[C@H]1CCCC(=O)OC 223647760 WTKAVFHPLJFCMZ-QXRURYSYSA-N 332.484 5.292 30 40 EKEB CC[C@@H](C)n1cc(/C=N/OCc2ccccc2C#N)c2ccccc21 408594705 JVTDTIKFYMBZFJ-DXRSZSRVSA-N 331.419 5.035 30 40 EKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)c1 408965000 FIDOLZGHCDWNQT-HZHRSRAPSA-N 346.430 5.021 30 40 EKEB Cc1ccc(O)c(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 354800 MFSQQUAEQJMIRE-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB C=CC[n+]1c(-c2ccccc2)csc1Nc1c(C)cc(C)cc1C 1923530 JNGGGINWYDRMIW-UHFFFAOYSA-O 335.496 5.557 30 40 EKEB Cc1ccc(NC=C2C(=O)CC(c3ccc(C(C)C)cc3)CC2=O)cc1 2454125 TYMFIJGQTXLGTG-UHFFFAOYSA-N 347.458 5.130 30 40 EKEB Cc1ccc2c(Cl)cc(Cl)c(OCc3ccc(C#N)cc3)c2n1 5939310 BSGXPIJUJYHWQU-UHFFFAOYSA-N 343.213 5.301 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 8084972 TUNSCDQHVHYOGF-LFVJCYFKSA-N 329.443 5.887 30 40 EKEB Cc1ccc(C#N)cc1NC(=O)N(C)C1CCC(c2ccccc2)CC1 58451582 XLKMDVMMXYOXAQ-UHFFFAOYSA-N 347.462 5.057 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1 100109175 IWZSEUPKWOUSBQ-OUKQBFOZSA-N 334.444 5.235 30 40 EKEB C=CCn1c(-c2ccc(Cl)s2)cs/c1=N/c1ccccc1 103370393 WPJYVEQICMPKBC-FBMGVBCBSA-N 332.881 5.350 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccs3)c2C#N)C1 103583794 GYZSWKSZHSCVSJ-DQAKUKQTSA-N 328.506 5.583 30 40 EKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@H]3[C@H]1CC=CCC1 140603 SCKBSNSAYTXWKL-BTYIYWSLSA-N 344.458 5.416 30 40 EKEB CC(=O)O/N=C1\CCCc2c1cc1ccc3cccc4ccc2c1c34 22057479 ZLZQKHOGIVFHOA-BSYVCWPDSA-N 327.383 5.188 30 40 EKEB in-vitro CCCCCCCCCCCCCCCC(=O)OCc1ccccc1 43381958 CKEVMZSLVHLLBF-UHFFFAOYSA-N 346.555 7.211 30 40 EKEB biogenic C1=C(c2ccccc2)/C(=N\c2ccccc2)S/C1=N/c1ccccc1 104270793 ABFGFXFRBPRUDO-MBALSZOMSA-N 340.451 6.277 30 40 EKEB C=CCc1cc(/C=N\c2ccc3ccccc3c2)cc(OCC)c1O 408850023 CZOAAVLVVTUBGQ-HAHDFKILSA-N 331.415 5.423 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OC 409109733 KBQANFQWQHJOLJ-UHFFFAOYSA-N 337.463 5.163 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1 409186803 IAGPFKBFBIHSPQ-HZHRSRAPSA-N 348.446 5.252 30 40 EKEB Cc1cccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c1 5649201 HEIHUWPIGPZJLL-QINSGFPZSA-N 328.411 5.470 30 40 EKEB C/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F 96399134 IHPADXIFYGHAQJ-NKVSQWTQSA-N 330.712 5.334 30 40 EKEB C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccccc1)[Si](C)(C)C 197882128 BAUCQYGIFGWPKI-MRCUWXFGSA-N 336.627 5.669 30 40 EKEB O=C(/C=C/c1ccc2ccccc2c1)c1cccc(Br)c1 5669900 JEVVAPHYPYKIJY-PKNBQFBNSA-N 337.216 5.498 30 40 EKEB Oc1ccc2ccccc2c1/C=N/c1ccc(OC(F)(F)F)cc1 18068417 HRPVOJPKIYBZRQ-SSDVNMTOSA-N 331.293 5.195 30 40 EKEB CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253617090 BLNQANGFOGHVAO-WVYKEMLSSA-N 330.512 5.314 30 40 EKEB COc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 408954382 SSPUREMOXFYVSD-MTJSOVHGSA-N 345.229 5.543 30 40 EKEB CCCCCCCCCCCCCCCCCC/C=C\C(F)(F)F 575330542 UNTCRVBUDHULRK-VXPUYCOJSA-N 348.537 8.757 30 40 EKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4ccccc4O)c3)nc2c1 326418 IPSRZCWUMNUNDH-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB N#C[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1cccc2ccccc12 1564947 ORUOOZRLKXSWDE-DQEYMECFSA-N 333.434 6.279 30 40 EKEB CC1(C)C[C@@](CC#N)(Cc2ccccc2)[C@@H](Cc2ccccc2)CO1 2282063 SIEWHMGJYVAERM-JTHBVZDNSA-N 333.475 5.187 30 40 EKEB O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccccc1F 3120669 MISKUDLKWBXEQU-BQYQJAHWSA-N 349.839 5.578 30 40 EKEB CC(/N=N/c1ccc(Cl)cc1)=N\Nc1nc2ccccc2s1 4524585 QVIOWDRKBVRBOP-GQVLRKDXSA-N 329.816 5.479 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cc1O 12824372 SWIVIGIGQOKVGK-ONNFQVAWSA-N 336.412 5.025 30 40 EKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 59426935 QIBSRNXZEKQSLE-ZVHZXABRSA-N 344.458 5.664 30 40 EKEB Cc1nc(/N=N/C(=N\Nc2ccccc2)c2ccccc2)sc1C 100266417 GIFKVQOPAJDJLO-TYIFWNGBSA-N 335.436 5.318 30 40 EKEB CCCCCCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 102559559 XDVNNLHJADZIDL-UHFFFAOYSA-N 337.866 6.189 30 40 EKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408774065 VNEDUTZYXNGNNM-FSJBWODESA-N 340.829 5.946 30 40 EKEB Clc1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1Cl 408858809 SUVUMFPRXJWJEN-FYJGNVAPSA-N 333.262 5.734 30 40 EKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1Cl 5649227 CIYWUXAMRRNGJG-QINSGFPZSA-N 348.829 5.815 30 40 EKEB CN(C)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242163 MJQSVJTZGXBDEG-XQNSMLJCSA-N 346.499 5.796 30 40 EKEB C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)c1 219793147 CFDCQRMVOPJLGW-OAQYLSRUSA-N 337.463 5.139 30 40 EKEB Fc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 408851176 JDEJMLOIQSDFTF-NDENLUEZSA-N 343.199 5.130 30 40 EKEB CCCCc1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 408940461 UQKKPDNOJJUNTE-XQNSMLJCSA-N 346.430 5.269 30 40 EKEB CCCCCCCCCCCCCCCC(=O)Nc1nccc(C)n1 8453320 BZXMYAYZDPSEOP-UHFFFAOYSA-N 347.547 6.205 30 40 EKEB Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2ccc3ncccc3c21 13564305 DPTMBVLUGMOYSZ-HXUWFJFHSA-N 346.455 5.169 30 40 EKEB CC(C)(CN1CCCCC1)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 17210814 QLQZYGWABCKINT-CLFYSBASSA-N 340.294 5.088 30 40 EKEB Cc1cc(C(=O)/C=C\c2cc(Br)cs2)ccc1Cl 33373944 SGZVTCYTDIDUID-HYXAFXHYSA-N 341.657 5.369 30 40 EKEB COc1ccc2c(c1)CC/C(=C\c1cccc(Cl)c1Cl)C2=O 97993413 SZEFXILUBHCOTF-UKTHLTGXSA-N 333.214 5.215 30 40 EKEB CCCCCCCCCCCCCCCc1noc2c1C(O)=CCC2 100751419 GNSYSGWHADKRRE-UHFFFAOYSA-N 347.543 7.153 30 40 EKEB biogenic C=CCc1cccc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)c1O 101406790 PZRAYFJALQNJSL-CWDNXDMPSA-N 341.414 6.287 30 40 EKEB COc1ccc(C(=NCc2ccc(C)cc2)c2ccc(OC)cc2)cc1 90476 LNUXWCWSRSCIEX-UHFFFAOYSA-N 345.442 5.050 30 40 EKEB CCCCCCCCCNc1ncnc2c1[nH]c1ccc(OC)cc12 2421355 FJSGZAGRPSLDCO-UHFFFAOYSA-N 340.471 5.282 30 40 EKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1 58196769 HPBJIKSIEWJBNQ-BUHFOSPRSA-N 339.394 5.699 30 40 EKEB O=C(/C=C/Nc1ccc(OC(F)(F)F)cc1)c1sccc1Cl 100409185 LEAIFAUYVHNCDV-FNORWQNLSA-N 347.745 5.109 30 40 EKEB COc1ccc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1 101761102 PRGVQPWKIXOTTP-XDHOZWIPSA-N 338.388 5.083 30 40 EKEB CC(C)N1c2ccc(/C=N/c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C 223544061 FIEVAPMUTGJVHN-YQCVNYCESA-N 336.479 5.643 30 40 EKEB Fc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 227149533 XMOXRAKDYLSCHP-UFFVCSGVSA-N 334.177 6.143 30 40 EKEB C(=N/c1ccc(-c2csc(-c3cccnc3)n2)cc1)\c1ccccc1 4982846 SPZHSRHHCNDMAM-YDZHTSKRSA-N 341.439 5.623 30 40 EKEB FC(F)(F)C(F)(F)c1cnc(Cl)cc1C(F)(F)C(F)(F)F 97949897 XSQOAYWOEUPTQU-UHFFFAOYSA-N 349.555 5.043 30 40 EKEB Cc1cccc(/N=C2/CCC[C@@H]2C(=O)Nc2cccc(C)c2C)c1C 103048115 BZNXPSDDRGPQLO-NKWDDMGQSA-N 334.463 5.432 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(O)c3)c2C#N)C1 409077502 FAVOIRNADSYGDT-OFJBCHTGSA-N 338.476 5.227 30 40 EKEB COc1ccc(C(=O)/C=C/Sc2c(Cl)cccc2Cl)cc1 133774 QKELCRLQOPDCSU-MDZDMXLPSA-N 339.243 5.491 30 40 EKEB O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(F)cc1 55135322 UUUHPBSYMRTLIG-OUKQBFOZSA-N 347.433 5.018 30 40 EKEB CCCCCCCCCCS(=O)CCCCCCCCCC 100075351 WXMZAPNGBZURBO-UHFFFAOYSA-N 330.622 7.017 30 40 EKEB CCCCCCCCc1c(C)nc(NCc2ccccc2)nc1O 106190359 ATZPKCLBFPWYMS-UHFFFAOYSA-N 327.472 5.006 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N/c2cccc(C(=O)O)c2C)cc1Cl 409019588 JWNDRGCAZZHPJY-KIHMUJGBSA-N 345.826 5.275 30 40 EKEB Cc1cccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)c1C 409215640 CTVDJLIZLMOFSX-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 570361 MEJDQGIXTQOVJM-ZDUSSCGKSA-N 338.476 5.120 30 40 EKEB COc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 2157785 ANMZUAWBOLNVOO-OEAKJJBVSA-N 339.479 5.746 30 40 EKEB C[C@@H]1CCc2c(sc(/N=C/c3ccc(C(C)(C)C)cc3)c2C#N)C1 4129104 PKIXMUJHHKJGLL-JMKVTYIUSA-N 336.504 5.793 30 40 EKEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4683863 MSWUPHPHYAFBLX-QCGOMIHKSA-N 348.914 5.290 30 40 EKEB biogenic,in-vitro O=C1C(=O)/C(=C/c2ccccc2)CCCCCC/C1=C\c1ccccc1 17380128 GPQZWIGTGCTQJK-KSTNYAOJSA-N 344.454 5.646 30 40 EKEB CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 33781922 CSFFSPXWXPVZEG-FMIVXFBMSA-N 343.264 5.643 30 40 EKEB CCCCCCCCOC(OCCCCCCCC)c1ccccc1 100789375 NOWFJWRCLOGUBQ-UHFFFAOYSA-N 348.571 7.439 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C\c4ccccc4O)cc3)sc2c1 103295214 NDTLSVIHPFXUNH-XKZIYDEJSA-N 344.439 5.728 30 40 EKEB Cc1cc(Br)ccc1/N=C/c1c(C)n(C)c2ccccc12 408856220 PTUDQLIXMJVOOD-RGVLZGJSSA-N 341.252 5.308 30 40 EKEB C/C(=N\OC(=O)c1cccs1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084864 PLDJQHRXNHLZTA-LWYMUBTISA-N 327.449 5.208 30 40 EKEB C/C(=N\OC(=O)c1cccs1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084869 PLDJQHRXNHLZTA-CHXORGPNSA-N 327.449 5.208 30 40 EKEB CCCS/C(=N/C#N)SCn1c(=S)sc2ccccc21 4244989 YTWFQMHVBZSCIM-QINSGFPZSA-N 339.536 5.103 30 40 EKEB C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OC 4670820 MOWWFPYFBYXANJ-UHFFFAOYSA-N 338.234 5.179 30 40 EKEB C=C(C)COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC 70453942 AOKFGWQYRVFIGT-UHFFFAOYSA-N 346.430 5.340 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1C 409211447 NVGKGZZACUYKGC-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(Cl)cc1 4054789 DXUPSHWOVYQEMJ-UUYOSTAYSA-N 326.802 5.637 30 40 EKEB O=C(/C(=C/c1ccncc1)c1nc2ccccc2s1)c1ccccc1 5572003 XWNDTWIHFXMPJM-VKAVYKQESA-N 342.423 5.115 30 40 EKEB COc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCc1ccccc1-2 39234447 QEVVROCYAJFQDK-UHFFFAOYSA-N 346.817 5.048 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc4ccccc34)o2)cc1 100507498 FRPJYXDTYRRNMG-HYARGMPZSA-N 342.354 5.759 30 40 EKEB CCCCCCCCCCCCCCCCCC/C=C/C(F)(F)F 103531055 UNTCRVBUDHULRK-FMQUCBEESA-N 348.537 8.757 30 40 EKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2cccc(C)c2)c1C 408762098 CPJKYXVPEBSRDO-HAHDFKILSA-N 332.447 5.552 30 40 EKEB C=CCc1cccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1O 4591614 PZRAYFJALQNJSL-HPEIEPLWSA-N 341.414 6.287 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 8085099 WYMRXEWRRQQNFG-BUVRLJJBSA-N 333.406 5.718 30 40 EKEB N#Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 12631647 YNSPNLRAQBTECW-UHFFFAOYSA-N 340.813 6.094 30 40 EKEB Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409094983 GQOVFQWGWKLNOR-FYJGNVAPSA-N 339.847 5.947 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2OC)cc1OC 409372502 ZNARDGHKLJAIAN-LNOXHEFASA-N 347.842 5.285 30 40 EKEB CCCCCCCCNC(=O)c1c(-c2ccccc2Cl)noc1C 2561589 RBHLCBJZMOHCRK-UHFFFAOYSA-N 348.874 5.394 30 40 EKEB Cc1csc2sc(C(=O)/C=C/c3ccccc3Cl)c(C)c12 5218868 PYRUGIGHZCZEMX-BQYQJAHWSA-N 332.877 6.129 30 40 EKEB COc1cc(C#N)ccc1O[C@H](c1ccccc1)c1ccccc1C 32765450 OFMOTBIRYFSZQL-JOCHJYFZSA-N 329.399 5.044 30 40 EKEB CCCc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)sc1C 40150594 NHOCKOIGHQFTFU-MRXNPFEDSA-N 334.444 5.047 30 40 EKEB CN1C(c2ccccc2)=CC(=C2C=CC(=O)C=C2)C=C1c1ccccc1 334157876 UTSXMSSCYZLPHT-UHFFFAOYSA-N 337.422 5.006 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 409015537 BUCQSOCWBVBFAU-WTJYETQFSA-N 328.415 6.082 30 40 EKEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 409076822 CKQNPPXYTUZFDP-PUFAJPFRSA-N 326.465 5.423 30 40 EKEB CCCCCCCCc1nnc(NC(=O)Nc2ccc(C)cc2)s1 2343603 PHIGCZALQMNPKN-UHFFFAOYSA-N 346.500 5.394 30 40 EKEB Cc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1C 5188509 HVHMRTQSZJQKOB-JWGURIENSA-N 340.422 5.453 30 40 EKEB Fc1cccc(/N=C(/S)SCc2ccc(Cl)c(Cl)c2)c1 6511663 MTJROEWWKUVZSR-UHFFFAOYSA-N 346.279 5.983 30 40 EKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(F)cc1 8684772 VIBQRHWTFZQAMS-ODXCJYRJSA-N 339.435 5.338 30 40 EKEB CCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1 100587333 SCKYVQMMXYGNQV-UHFFFAOYSA-N 343.511 5.165 30 40 EKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(F)c(C)c1 107935561 BPHDGNHSTKPAPR-ZRDIBKRKSA-N 348.215 5.095 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 223526868 BPDJCPSBGREXHD-CRRPLPBISA-N 326.871 5.813 30 40 EKEB C=CCSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 2371964 HCJUTXDMSIAYKX-UHFFFAOYSA-N 340.473 5.135 30 40 EKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(Br)c(C)c2)c1 44844608 REIASBSOWOLHNK-CMDGGOBGSA-N 344.252 5.183 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)cc3)cc21 198151575 SNGSGQUISUORNG-FSJBWODESA-N 342.845 5.861 30 40 EKEB Fc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 408736988 FTFPJLMRXMFSCD-LFVJCYFKSA-N 341.389 5.429 30 40 EKEB CN(C)c1ccc(-n2cccc2/C=N/c2cccc3ccccc23)cc1 408952787 MUOUKHIHQBDFHQ-JJIBRWJFSA-N 339.442 5.447 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl 409018201 YLXPUNPZIYOTAB-PUFAJPFRSA-N 336.262 6.230 30 40 EKEB C=C(C)Cn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 1323249 MJMZQOKCULCLKV-GOSISDBHSA-N 332.491 5.963 30 40 EKEB biogenic Cc1cc(C)c(C#N)c(S[C@H](C#N)c2ccc(Cl)cc2Cl)n1 1404189 IKHQIAMJGVBTDP-OAHLLOKOSA-N 348.258 5.234 30 40 EKEB CCCCCCCCCOc1cccc(/C=N/c2ccccc2O)c1 2227846 HGFWAMZADFAXIR-PTGBLXJZSA-N 339.479 6.272 30 40 EKEB Cc1cc2c(cc1C)-c1nc3ccccc3cc1/C2=N\c1ccccc1 3087181 MQCXHSNDZDCVMT-BZZOAKBMSA-N 334.422 6.001 30 40 EKEB Oc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 3896883 UVJSOJIKXSUZMH-BUVRLJJBSA-N 331.459 5.611 30 40 EKEB C/C(=N\N=C(/C)c1cccc2ccccc12)c1cccc2ccccc12 8619356 PCMMCSZMSVAZSC-RPCRKUJJSA-N 336.438 6.226 30 40 EKEB Cc1ccc(-c2cnc(SCC#N)n2-c2cccc(Cl)c2)cc1 44087287 WJQOLYADQLUXPX-UHFFFAOYSA-N 339.851 5.117 30 40 EKEB CCCCCCCCN1c2ccccc2S(=O)c2ccccc21 59816387 JPKWDXNWGGPWEP-UHFFFAOYSA-N 327.493 5.665 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 408691546 DJCBQJGADMQKFY-ACCUITESSA-N 338.447 5.466 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1C 408960532 GPOCOOIJOXATIW-WSDLNYQXSA-N 333.387 5.321 30 40 EKEB CCCCCCCc1nnc(NC(=O)Nc2ccc(C)cc2)s1 2347563 XNLMTIKHNJZCMY-UHFFFAOYSA-N 332.473 5.003 30 40 EKEB Cc1ccc(/N=N/C(=N\N=c2\[nH]c3ccccc3s2)C(C)C)cc1 4084069 NKNQEZIKJOCOSC-QMHWDSPHSA-N 337.452 5.192 30 40 EKEB CC(C)CCOc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 5788742 WLQAPDVRYRYYNV-DEDYPNTBSA-N 339.464 5.167 30 40 EKEB CCCCCCCCCCC(=O)Nc1cc(Cl)ccc1OC 97941838 ZUYSPAVVYPTDRV-UHFFFAOYSA-N 325.880 5.818 30 40 EKEB CCCC[Sn](CC#N)(CCCC)CCCC 196453617 IXGKTOUVXDBCMM-UHFFFAOYSA-N 330.104 5.359 30 40 EKEB Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2)C12CCCC2 5804288 OVKYYYPUEMJVPE-UHFFFAOYSA-N 349.503 5.041 30 40 EKEB Cc1[nH]c2ccccc2c1/C(=C\C(=O)c1ccccc1)c1ccccc1 8628452 UQFHORIGEDYRLV-PGMHBOJBSA-N 337.422 5.791 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](C)O 100063368 ZVTDEEBSWIQAFJ-CFGKVWFZSA-N 340.548 5.948 30 40 EKEB COc1ccccc1/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 100290596 DHZXKMMUTNOWPP-OEAKJJBVSA-N 332.447 5.470 30 40 EKEB Cc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 409016685 GMSOLANQZCTZIP-NDENLUEZSA-N 343.904 6.612 30 40 EKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccccc2)c2ccccc21 2431993 VJIWWQYBJJTYSK-QFIPXVFZSA-N 341.435 5.553 30 40 EKEB CCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N 3637060 PPWRMGYMMNTXGK-UHFFFAOYSA-N 342.773 5.404 30 40 EKEB Cc1cc(C)c2c(c1)/C(=N/Nc1ncc(Cl)cc1Cl)CCC2 6598061 CXDFVCQINKJJMS-LTGZKZEYSA-N 334.250 5.158 30 40 EKEB C=CCCCCCCCCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8914809 SLNCVMTYHZZIAU-UHFFFAOYSA-N 344.524 5.323 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/O 12653661 GKFSDTRKPOZJAE-HHKYRQLUSA-N 345.571 7.142 30 40 EKEB biogenic CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C2 100006281 REBJMFRQDKSDHF-GANKWPMTSA-N 340.250 5.352 30 40 EKEB CCCCCCCc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 100916120 MDLWQKYIMSTWFT-UHFFFAOYSA-N 332.443 5.662 30 40 EKEB CC(C)N(CCON=C1CCCCC/C1=C/c1ccccc1)C(C)C 299888727 VIHOHTOSUXOBSD-YQHXDJBWSA-N 342.527 5.526 30 40 EKEB Cc1ccc(-c2cc(/N=C\c3ccccc3)n(-c3ccccc3)n2)cc1 408737101 ISNFHUBPEOSERZ-ULJHMMPZSA-N 337.426 5.598 30 40 EKEB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)o2)cc1 5219651 NILNQZZWPIQVSW-UHFFFAOYSA-N 349.459 5.198 30 40 EKEB CCCCCCCCCCCCCCCCCC[C@@H](N)C(=O)O 38154255 NHWDPCHMQMJMRM-LJQANCHMSA-N 327.553 6.050 30 40 EKEB CCCCCCCCCCCCCCCC(=O)c1cc(C)ccc1O 100934554 XPYXVKSJEDVRGC-UHFFFAOYSA-N 346.555 7.365 30 40 EKEB CCCCCCCCCCOC(=O)COc1ccc(C(C)(C)C)cc1 104326251 SKPVQWGVKMDDCZ-UHFFFAOYSA-N 348.527 6.047 30 40 EKEB C=CCOc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224975030 XSPVEOXHRPAPDQ-UHFFFAOYSA-N 343.426 5.100 30 40 EKEB Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(Br)cc1 408782996 ZXWADOQRILDSFF-YBFXNURJSA-N 343.224 5.200 30 40 EKEB N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 1017692 AKZIBHBZJUMNBD-TVZGQMOCSA-N 341.241 5.692 30 40 EKEB O=C(/C=C(\SCc1ccccc1)c1ccccc1)c1ccccc1 4666810 XTLOTZWOPOPWJJ-JWGURIENSA-N 330.452 5.844 30 40 EKEB Fc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 6926224 HYPNUIGJKXPJQJ-MFKUBSTISA-N 333.450 6.044 30 40 EKEB CN(C)c1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 12949673 NNOVCZSXXYEXKA-AEUZFIIDSA-N 339.438 5.164 30 40 EKEB CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1 59378659 YZVJFFKAKLWXOE-UHFFFAOYSA-N 349.567 5.450 30 40 EKEB C=CCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 408604748 DXWGSIYEZSCYQM-UHFFFAOYSA-N 341.813 5.809 30 40 EKEB COc1ccc(-n2cccc2/C=N\c2ccc(C(C)(C)C)cc2)cc1 408949635 BROXBJLWTZBGFX-KQWNVCNZSA-N 332.447 5.534 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)CCC2 4652645 AVOWKNSWYWSXLD-HYARGMPZSA-N 333.460 5.135 30 40 EKEB CCCCC[C@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 16955368 QIXYIBIIMNDKCW-ZHUYAKLQSA-N 342.310 5.334 30 40 EKEB CN1/C(=C\C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)c2ccccc21 100987699 RDHIUXVWCPMFHM-PDGQHHTCSA-N 345.364 5.200 30 40 EKEB C(=N\c1ccc2c3c(cccc13)-c1ccccc1-2)\c1ccc2c(c1)OCO2 104085926 UPRXMAAFMDLEIK-MXAYSNPKSA-N 349.389 5.967 30 40 EKEB CCCCCCCCCCCCc1ccc([N+](CC)(CC)CC)cc1 104177290 KQAISEFPZIMYHH-UHFFFAOYSA-N 346.623 7.517 30 40 EKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OC 409117299 QUAFSQNSUODVPU-UHFFFAOYSA-N 345.870 5.396 30 40 EKEB CCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4720688 AZVSIMOMNHTWRV-XUCMERPOSA-N 328.496 5.114 30 40 EKEB CCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(OC)c2C#N)cc1 6393645 JWVFJSDVRYDJAL-UHFFFAOYSA-N 344.414 5.003 30 40 EKEB COc1ccc(C/N=C(/S)Nc2ccccc2-c2ccccc2)cc1 13685160 TYLWMOUQZODSMI-UHFFFAOYSA-N 348.471 5.260 30 40 EKEB COc1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 20242170 RPAGARRIMPIWCF-PXLXIMEGSA-N 333.456 5.738 30 40 EKEB O=C(/C=C\c1ccccc1)c1ccc(C(=O)/C=C\c2ccccc2)cc1 32451084 YDJKHVQLADEYIK-WHYMJUELSA-N 338.406 5.479 30 40 EKEB CCCCCCCc1noc(C2CCC(c3ccccc3)CC2)n1 98048936 UJUJAMGZALFAOJ-UHFFFAOYSA-N 326.484 6.024 30 40 EKEB N#Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 216853702 SNFKYZHOMOHYQF-UHFFFAOYSA-N 347.028 5.751 30 40 EKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 260572423 VHFUICUWBNZBTN-GMPVXANTSA-N 336.479 5.476 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3cccc([N+](=O)[O-])c3)cc2)cc1 409239657 IAQOWKFNSZCXBL-STZFKDTASA-N 348.427 5.805 30 40 EKEB C=C(C)/C=C/C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 33832263 SFUVOLKWTCFJSX-YUQKSTFXSA-N 336.387 5.387 30 40 EKEB biogenic,in-vitro CCCCCCCCCCCC(N)CCCCCCCCCCC 114218955 YQSUNFGPTVHTOP-UHFFFAOYSA-N 339.652 8.156 30 40 EKEB CCC[C@H]1C/C(=C/c2cccc(C)c2)C(=O)/C(=C/c2cccc(C)c2)C1 245285819 YRYBYZCFBUHJJQ-WMGSCAEFSA-N 344.498 6.550 30 40 EKEB N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1Cl 898056 GBXSWPBIKSSKQU-UHFFFAOYSA-N 348.789 5.256 30 40 EKEB CC(C)Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 4289070 NCTTXOGDBHGOMM-KPKJPENVSA-N 332.365 5.800 30 40 EKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(F)cc1 8684773 VIBQRHWTFZQAMS-FKIZINRSSA-N 339.435 5.338 30 40 EKEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccc3ncccc3c21 13564298 QDIOXQSYJBYDOT-QFIPXVFZSA-N 340.426 5.108 30 40 EKEB C=C1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 36020410 USISGGVIAQLXQF-CPDXTSBQSA-N 330.512 5.517 30 40 EKEB biogenic CCN1/C(=C/C=C2\CCc3ccccc3C2=O)Sc2ccccc21 36294033 YSUNOCYISGYCCX-SDEVTQOVSA-N 333.456 5.216 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2cccc(OC(F)(F)F)c2)cc1 51318700 VRNXKERNSJSUDY-ZHACJKMWSA-N 349.352 5.517 30 40 EKEB Clc1ccccc1COc1ccccc1/C=N/Nc1ccccc1 58822573 SXEZVJKCEQNVFR-HYARGMPZSA-N 336.822 5.365 30 40 EKEB Oc1ccc2ccccc2c1[C@H](/N=C\c1ccccc1)c1ccccc1 100520877 IBKFPODMQLEYRC-KRFWEUHSSA-N 337.422 5.754 30 40 EKEB O=C1/C(=C(\Nc2ccccc2)c2ccccc2)Sc2ccccc21 100867523 RGWJIBKCBSKEQG-XUTLUUPISA-N 329.424 5.456 30 40 EKEB Fc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1 409070447 XSMGZEKGXBCOHV-KOEQRZSOSA-N 344.433 5.844 30 40 EKEB CC(C)c1ccc(/C=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1 5413556 JWCJRRZQNGVKJE-HZHRSRAPSA-N 344.414 6.136 30 40 EKEB C=CCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 95611701 MPNMSOOSPRUJKK-UHFFFAOYSA-N 326.395 5.930 30 40 EKEB C/C(=N/O)C1=CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C 118918778 QPVTWJVYONZWBL-WDJAANKFSA-N 344.499 5.246 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C 198102076 GGNQZRGFGDJYPL-GCMSVZMUSA-N 338.470 5.997 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(O)c3)c2C#N)C1 409077498 FAVOIRNADSYGDT-LVCXCXRVSA-N 338.476 5.227 30 40 EKEB CCCCC1CCC(C(=O)c2ccc(-c3ccc(C#N)cc3)cc2)CC1 1758592 KJJHBAQPJUVVCD-UHFFFAOYSA-N 345.486 6.405 30 40 EKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc12 3115209 PHQFTKHWQNHMHM-YDZHTSKRSA-N 346.817 6.207 30 40 EKEB Cn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc21 5174146 DSMPNIZUTDJLQA-NTUHNPAUSA-N 345.829 5.881 30 40 EKEB CCCCCCCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 59662046 SCVDSUCRMIVAPL-UHFFFAOYSA-N 329.871 6.105 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(OC(C)(C)C)cc1 101470603 ZUYIOAWXBRXORL-UHFFFAOYSA-N 332.528 6.968 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(O)cc3)cc2C(C)=CC1(C)C 198160441 SQUIWBKVYBTOOT-OEAKJJBVSA-N 334.463 5.473 30 40 EKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 408774344 CDGDMVVKGFPQLM-UUYOSTAYSA-N 343.257 6.152 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(C)ccc4O)ccc3o2)cc1 354856 OBOSVWYKTBMQTI-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccccc3)cs2)cc1 4589385 AOEXOCBRANAYKM-KGENOOAVSA-N 337.448 5.045 30 40 EKEB C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1cccc2ccccc12 4929172 HQOVJDBACASSIS-CIAFOILYSA-N 338.794 5.028 30 40 EKEB Cc1cc(C)c(C(=O)/C=C/c2ccccc2SC(C)(C)C)c(C)c1 5212227 VEJSJANBMQLXQQ-VAWYXSNFSA-N 338.516 6.399 30 40 EKEB CCCC[C@@](C#N)(c1ccccc1)C(c1ccccc1)c1ccccc1 6379681 CTAZCSKQDRVENS-RUZDIDTESA-N 339.482 6.470 30 40 EKEB Cc1ccc(N/N=C/c2c3ccccc3cc3ccccc23)cc1Cl 6503819 QBNAVTOHQPLZDP-ZVHZXABRSA-N 344.845 6.401 30 40 EKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408738067 MTMPNCFORSTEIJ-JJIBRWJFSA-N 345.490 5.691 30 40 EKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc(C)c(C)c3)c2C)c(C)c1 408995522 AUHGGPOVMPXMMT-QRVIBDJDSA-N 346.478 5.169 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(F)cc1 409051301 KLYQCGRKESITOA-CIAFOILYSA-N 325.412 5.094 30 40 EKEB Cc1nc(Oc2ccccc2C#N)c2c(-c3cccs3)csc2n1 3354370 NGKAYJUJUVUBPQ-UHFFFAOYSA-N 349.440 5.392 30 40 EKEB O=C(/C(Cl)=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 4722931 QPGXKPZDIWGONY-AUWJEWJLSA-N 346.040 6.109 30 40 EKEB CC(C)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 44974967 HRLFDINBDLKLFV-VAWYXSNFSA-N 344.252 5.381 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2OC)c1C 59105054 HNAXWVLNZDWKJY-BUVRLJJBSA-N 346.474 5.724 30 40 EKEB CCCCCCCCCCC/C(=N\O)c1c(O)ccc2ccccc12 100950820 NBRUIVJTGDOWCS-BSYVCWPDSA-N 341.495 6.645 30 40 EKEB Cc1c(Cl)cc(/C=N\c2cccc3cccnc23)c(O)c1Cl 104212356 XUGANJCNWBHDOS-NKVSQWTQSA-N 331.202 5.306 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])c1 408786315 PGICDKZNEPRSCP-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB C(=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1)\c1ccccc1 408979534 RJRWFTFSCQFSMZ-HZHRSRAPSA-N 346.499 6.608 30 40 EKEB c1ccc(-c2cs/c(=N\C3CCCCC3)n2N=C2CCCC2)cc1 6598287 PUWOTMFDAXLGGF-MRCUWXFGSA-N 339.508 5.228 30 40 EKEB CCCCCCCCCCCCS/C(N)=N/Cc1ccccc1 97981252 WATCNHCEPDAEIL-UHFFFAOYSA-N 334.573 6.155 30 40 EKEB CCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530782 DQYCIVFTHKZDJK-VAWYXSNFSA-N 336.335 6.906 30 40 EKEB CC(C)c1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 4562019 MLHVTRQISMEVDL-WUKNDPDISA-N 341.454 6.286 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCOC[C@H](O)CO 8437482 NRWMBHYHFFGEEC-VFCOFNOGSA-N 342.564 5.394 30 40 EKEB in-vitro CCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC)c1 8452408 PANMMAVAYMAQJA-UHFFFAOYSA-N 333.472 5.333 30 40 EKEB Cc1ccc2c(c1)/C(=N/C1CCCCC1)c1cc3ccccc3nc1-2 15979623 VXAWNYJOYYDGBG-VHXPQNKSSA-N 326.443 5.694 30 40 EKEB CCCCCCCCCCCCCCCCCC[S@+](C)CC 95876072 GKCTWOKOPGPJDG-QFIPXVFZSA-N 329.658 7.516 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C)cc1C 219815524 BNYPSMVACPOXRJ-MRXNPFEDSA-N 325.477 5.073 30 40 EKEB C=C(C)C(C)(C)CC(=O)c1cn(CCCCCF)c2ccccc12 222910934 BEZVSTOQIZTNCK-UHFFFAOYSA-N 329.459 5.956 30 40 EKEB in-vitro CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)c(Cl)c1 409103803 ZBFXJSDDFBHPOE-OCKHKDLRSA-N 328.626 5.796 30 40 EKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1 409177488 FZFKTSURXOUZCZ-CCEZHUSRSA-N 348.833 5.892 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)cc1 409186552 DSCHOJGLCUKVGF-BUVRLJJBSA-N 343.430 5.115 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)c(C)c1 409214859 YNTGRUACFPQRGL-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3cccc(Cl)c3C)c2)cc1 409217142 SMQKEFLYTRLOPR-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB FC(F)Oc1ccccc1/C=N/Nc1ccc(Cl)c(Cl)c1 5445969 XUSREQOSXBFFIX-UFWORHAWSA-N 331.149 5.041 30 40 EKEB CO[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 5707470 MPUDTZVWARYYCZ-SSSFQFABSA-N 345.527 5.287 30 40 EKEB Cc1cccc(C)c1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 32100226 IDTMZVWVDFSBMZ-FOCLMDBBSA-N 327.427 5.779 30 40 EKEB CCCCCCCCCCN(CCO)CCCCCCCCCC 100077091 QRNZFGTUDVBOAY-UHFFFAOYSA-N 341.624 6.562 30 40 EKEB O=C(/C=C/Nc1ccc(/N=N\c2ccccc2)cc1)c1ccccc1 100244884 CJHWTYVEIFQMQR-JYBOYVOYSA-N 327.387 5.911 30 40 EKEB CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525344 PYNBFLPZZOMIKE-UHFFFAOYSA-N 340.176 5.670 30 40 EKEB CC(C)CSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213456 JZPGURKWXUBQLP-GRSHGNNSSA-N 342.489 5.501 30 40 EKEB CC[C@H](C)Oc1ccccc1/C=N/Nc1ccc(Br)cc1 408601843 LOMSAQVDBSPNEA-HCZVKUGISA-N 347.256 5.072 30 40 EKEB CCCCCCCCCCc1ccc2c(c1)C[C@H]1c3ccccc3C[C@@H]21 1697639 RUOURQNTWBHAPC-UIOOFZCWSA-N 346.558 7.349 30 40 EKEB Cc1ccc(/N=C2\CSc3sc(=S)sc3S2)cc1 5540157 JZWKFDPVSBBPOT-UKTHLTGXSA-N 327.546 5.776 30 40 EKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(C)cc1 5928038 BRQRLDYQGDYLQC-VXLYETTFSA-N 327.642 5.791 30 40 EKEB C/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 15912841 VAFFTNNFQDOJGP-WUWLJUPKSA-N 349.503 5.061 30 40 EKEB CN(C)c1ccc(/C=N/c2ccc3c4c(cccc24)-c2ccccc2-3)cc1 17108463 IVEBVAUCQOOGPY-WGOQTCKBSA-N 348.449 6.304 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59248351 FMMVSQRUKXKXQS-SRRANQMSSA-N 345.826 5.068 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc3c(c2)OCO3)c1C 408911628 AFSWSGVGLOOKRP-YDZHTSKRSA-N 346.430 5.136 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccccc2SC)cc1Cl 409015110 YRGPKMQGQCGIBO-HMHKGCENSA-N 333.884 5.990 30 40 EKEB COC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 1428430 DMTPGOPCSSZNAJ-CQSZACIVSA-N 349.217 5.136 30 40 EKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C#N)[C@@]4(C)CC[C@@H]32)C1 3881634 QUGXMPWNBWSXCH-LFCPWCDWSA-N 341.495 5.021 30 40 EKEB biogenic COc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc23)cc1 4277058 DEGUZIIIXRXDKA-CCEZHUSRSA-N 338.406 5.898 30 40 EKEB C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 9350738 KHDLHSMILMKNOW-UHFFFAOYSA-N 340.810 5.058 30 40 EKEB CCCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 101508583 LBMIQTNISHUWON-UHFFFAOYSA-N 334.460 5.246 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(N=Nc3ccccc3)cc2)cc1 260840563 DHZKZZNYLTUXJU-VKHQMHHLSA-N 341.414 6.219 30 40 EKEB Clc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)c(Cl)c1 408962607 ZRTXLLTVZMTILP-BKUYFWCQSA-N 333.262 5.734 30 40 EKEB COc1ccc(/C=C2/C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 135144 LBUIGFCPSGJSAD-HVQRGMKJSA-N 342.394 5.095 30 40 EKEB CCc1cc2c3c(c1)/C(=N\c1ccc(F)cc1)C(=O)N3C(C)(C)C=C2C 12406264 IKFNLMXFFZPMRT-LYBHJNIJSA-N 348.421 5.051 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 35170199 DUJXGAUEPZFCOM-UDWIEESQSA-N 327.840 5.300 30 40 EKEB CCCCCCCCCCCCCCC[C@H]1CCC[C@@H]2CCCC[C@H]12 104145446 KAPWPCCFMBDURV-CCDWMCETSA-N 348.659 9.074 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408692600 QKGPPVOFLVEBLP-VAWYXSNFSA-N 349.861 5.952 30 40 EKEB Clc1cc(/C(=N\Nc2ccccc2)c2ccccc2)cc(Cl)n1 4277467 ZKCKLQKTJRPURN-NKFKGCMQSA-N 342.229 5.253 30 40 EKEB CCCCC1CCC(c2nc(C#N)c(NCc3ccccc3)o2)CC1 9764281 MBIZOHSUYNTVBJ-UHFFFAOYSA-N 337.467 5.622 30 40 EKEB CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)c1ccccc1-2 104327323 NNWLPDIQUKGKBD-FLFQWRMESA-N 346.817 5.448 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3)c2C)cc1C 408741144 ODJUPZUREHVHAO-XKZIYDEJSA-N 347.418 5.370 30 40 EKEB Cc1ccc(/C(=N/c2cc(C)nn2-c2ccccc2)C(F)(F)F)cc1 3345107 KWDFGDBSVWZJAB-NKFKGCMQSA-N 343.352 5.172 30 40 EKEB CCCCCCCCCCNC(=S)N1c2ccccc2C[C@H]1C 59662621 ZZSYPNSWUVWGCW-QGZVFWFLSA-N 332.557 5.453 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1 409208822 DNIOTLPZHMJIIN-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB CCCCCCCc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 2071703 KULUCSDPYFISPU-UHFFFAOYSA-N 334.463 6.225 30 40 EKEB C=CCSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N 3637015 OZIXEMAWEGWCLF-UHFFFAOYSA-N 334.366 5.226 30 40 EKEB COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 8116617 AURAYFAJLZVRKK-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB CCCCCCCCCCCCCCCCC#CBr 97949657 GACSHESBZHCQCM-UHFFFAOYSA-N 329.366 7.214 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(OC)cc(OC)c1 101472673 VTIMRKNLFKNRKJ-UHFFFAOYSA-N 348.527 6.588 30 40 EKEB CCCCCCCCNCc1cc(Cl)c(OCC)c(OC)c1 102561798 HNOPVMVZKNKQOL-UHFFFAOYSA-N 327.896 5.197 30 40 EKEB CCCCCCCCNCc1cccc(OCc2ccccc2F)c1 102561939 CXHIANUQEXVZSJ-UHFFFAOYSA-N 343.486 5.855 30 40 EKEB N#CC(C#N)[C@@H](CC(=O)c1cccs1)c1ccc(Cl)cc1Cl 2568480 YBIMFCCNPQYEND-CYBMUJFWSA-N 349.242 5.075 30 40 EKEB C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC 4652801 XLHFFKXZZVJLIA-OTGYPNLISA-N 349.518 5.432 30 40 EKEB O=C(/C=C/c1ccccc1OC(=O)C1CCC1)c1cc2ccccc2o1 6886014 YULPXGUBVJSXLX-OUKQBFOZSA-N 346.382 5.034 30 40 EKEB CCOc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1OCC 100344135 XTKVXRGPRHAEQY-LPYMAVHISA-N 341.451 5.372 30 40 EKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cl)ccc2O)c1 100925547 XSEQIKNBOQYROH-AWQFTUOYSA-N 338.234 5.453 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cccc2ccccc12 101475054 CSLBCFRMCAMLIR-UHFFFAOYSA-N 338.535 7.724 30 40 EKEB FC(F)C(F)(F)C(F)(F)C(F)(F)CSCc1ccccc1 196314106 UAYBGCOJYMXELL-UHFFFAOYSA-N 338.263 5.091 30 40 EKEB COc1cc(C)c(/C=N/c2ccc(Nc3ccccc3)cc2)cc1OC 408548660 KRDFZNDUUXZVMP-HZHRSRAPSA-N 346.430 5.506 30 40 EKEB CCOc1ccccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408738036 MHHZCBDFEWBTJK-OEAKJJBVSA-N 336.410 5.383 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 408740216 JIJPPTUCLLQAHY-OEAKJJBVSA-N 335.426 5.050 30 40 EKEB Cc1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408740725 LWMDRTHARSXQMK-BUVRLJJBSA-N 345.490 5.528 30 40 EKEB CCCCCCC[C@@H]1CCc2nc(-c3ccc(F)cc3)ccc2C1 3108565 PXYCAPBWYRRLNH-QGZVFWFLSA-N 325.471 6.353 30 40 EKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 3864919 RJMFWDDINGWTSG-LCHYZJQESA-N 346.346 5.466 30 40 EKEB Oc1ccc(/N=N/c2cccc(Cl)c2)cc1/C=N/c1cccnc1 5331304 BISUYKRYJXWOQR-PEAGZHFBSA-N 336.782 5.607 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 36832242 ZZQAYWWCKUGHGL-CMDGGOBGSA-N 347.414 5.075 30 40 EKEB O=C(/C=C/Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 408975524 MLNAWJQSLNZZJC-BQYQJAHWSA-N 326.610 5.455 30 40 EKEB Oc1ccc2ccccc2c1/C=N/c1ccccc1Oc1ccccc1 409072782 SKVFKZDICRAOPZ-LFVJCYFKSA-N 339.394 6.088 30 40 EKEB N#Cc1ccccc1COc1ccccc1-c1nc2ccccc2s1 409194732 QSFCTFCHNFKNRX-UHFFFAOYSA-N 342.423 5.414 30 40 EKEB CCCCCCCCOc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 1852005 KSHWFFBQWRWILJ-UHFFFAOYSA-N 348.446 5.962 30 40 EKEB Clc1cnc(NN=C2CCCCCCCCCCC2)c(Cl)c1 6224210 QPARMBBJRJABOJ-UHFFFAOYSA-N 342.314 6.461 30 40 EKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c(OC)c1 6338324 KBXSWFNNDZUAPP-XNTDXEJSSA-N 344.410 5.267 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(C)c1 8368751 ACQDGFFQRSPMMT-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccc2c(c1)-c1nc3c(C)cccc3cc1/C2=N\c1ccccc1 12462695 GBPUNSGNORHINF-BZZOAKBMSA-N 334.422 6.001 30 40 EKEB Cc1ccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)o1 12793689 XRRBSMLIBXYOCO-BQYQJAHWSA-N 329.808 5.261 30 40 EKEB Cc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1Cl 409015843 BWOCADKJZWASCP-ZVHZXABRSA-N 345.833 5.738 30 40 EKEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)nc2c1 318239 OAWBTBCWVKVANP-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB N#CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 1720712 SDWYNOYKFXHEBX-UHFFFAOYSA-N 340.254 5.074 30 40 EKEB CC1(C)C[C@](CC/N=C/c2ccccc2)(Cc2ccccc2)CCO1 2281865 LNVBUCUMDVWOPT-MPPWSMNASA-N 335.491 5.314 30 40 EKEB CCCCCCCCc1n[nH]c(SCc2ccc(C)cc2C)n1 8432574 BTCQDWVIGSRURO-UHFFFAOYSA-N 331.529 5.617 30 40 EKEB O=C(/C=C\c1c(F)cccc1Cl)/C=C/c1c(F)cccc1Cl 33376492 LBUDJHCIGYIYFW-FKJILZIQSA-N 339.168 5.567 30 40 EKEB CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 408738715 MZYVEFVJVJQHCM-HZHRSRAPSA-N 332.447 5.552 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1Cl 409212189 PWZUTZKHOHWXAD-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB COc1ccc(/C=N/CC[C@H](c2c[nH]c3ccccc23)C(C)C)cc1 524733311 HBZOJJQRUDSLQG-WQZUMXOESA-N 334.463 5.425 30 40 EKEB Cc1ccc(CO/N=C/c2ccc(Sc3ccc(C)cc3)nc2)cc1 5413921 RBSDYRFPTJOGSC-OEAKJJBVSA-N 348.471 5.400 30 40 EKEB CC/C(=N\OCc1ccccc1Cl)c1cc(C(F)(F)F)ccn1 12338579 MUFURBIYRAVIJQ-HYARGMPZSA-N 342.748 5.085 30 40 EKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(-c3ccccc3)cc1)C2 103618805 AOWSCJKKFKCUOW-FXEZBKKCSA-N 347.458 5.713 30 40 EKEB CC(C)(C)n1cnc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21 3173889 DYKYIXBDJKDHQB-UFFVCSGVSA-N 346.261 5.849 30 40 EKEB O=[N+]([O-])c1cc(/N=C(\S)SCc2ccccc2)ccc1Cl 6575157 DFPAIPVNMHZNBS-UHFFFAOYSA-N 338.841 5.099 30 40 EKEB C(=N/c1ccc2c3c(cccc13)-c1ccccc1-2)\c1ccc2c(c1)OCO2 17835545 UPRXMAAFMDLEIK-DHRITJCHSA-N 349.389 5.967 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59247962 VDHZEYYMAXIKJW-LGVXEURYSA-N 336.866 6.395 30 40 EKEB N#Cc1ccc(/C=C\c2ccc(/C=C/c3ccccc3C#N)cc2)cc1 71603425 OQVQNTRMZCGXIB-IYUNJCAYSA-N 332.406 5.771 30 40 EKEB C=CCc1cccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c1O 101406787 PZRAYFJALQNJSL-NROUIFAESA-N 341.414 6.287 30 40 EKEB CCCCCCCCNCc1cc(Cl)c(OCC)c(OCC)c1 102561782 VRXXVCOQVNGABB-UHFFFAOYSA-N 341.923 5.588 30 40 EKEB CCCCCCCCNC(=O)NC(=S)c1cccc2ccccc12 408732615 SOGMDVQVOUKQHA-UHFFFAOYSA-N 342.508 5.175 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\Nc1nc(-c3ccccc3)cs1)C2 4192981 LPZRONVVQPPYEV-TYVLUOLNSA-N 325.481 5.424 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 5665962 LIDODSBVMRSMEU-MKFNJMOCSA-N 332.241 5.419 30 40 EKEB S[C@]12CCCC[C@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 13302812 NHPGGMMMZYRZIW-DYXWJJEUSA-N 338.541 6.374 30 40 EKEB C=CCc1cccc(CNc2nc3ccccc3n2CCCCC)c1O 13661278 ZCKHMWBNXATSKZ-UHFFFAOYSA-N 349.478 5.273 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 16545740 GVDQLSZDHNGMOR-KTKRTIGZSA-N 342.225 5.955 30 40 EKEB O=C(/C=C\c1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)s1 33376379 OHVMMPMIOGYDAG-ZROIWOOFSA-N 348.854 5.697 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(Cl)c(C)c1 101471681 LMHWFJLGQJBKEQ-UHFFFAOYSA-N 336.947 7.532 30 40 EKEB CCOc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 408734267 VWZXWWLCQYZERJ-BUVRLJJBSA-N 342.442 5.356 30 40 EKEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)cc1Cl 408959700 DKYIZMXEFLCRBJ-MTJSOVHGSA-N 333.262 5.653 30 40 EKEB CCC1=C(c2ccccc2)Oc2ccccc2[C@H]1C#Cc1ccccc1 2157708 VVYOPMIBVYFJPK-QFIPXVFZSA-N 336.434 6.036 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Cl)cc3O)c2C)c1 15223741 AQOLMURNAIUBOO-WSDLNYQXSA-N 338.838 5.512 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCCC2)cc1 18142411 DBTHGUPVWYKBHG-KGENOOAVSA-N 328.843 5.090 30 40 EKEB Oc1c(/C=N/c2ccc(Br)cc2)ccc2ccccc12 32101580 GHNSLMGYVKZPQV-YBFXNURJSA-N 326.193 5.059 30 40 EKEB CCCCCC(/C=N\c1ccccc1C(=O)OC)=C/c1ccccc1 104367974 YQIWYASBSBXASC-VRUOGPTQSA-N 335.447 5.839 30 40 EKEB CCCCCCCCCCCC1=NC(C)(C)CN1c1ccccc1 1768297 XYMKQFAGAOZDEI-UHFFFAOYSA-N 328.544 6.605 30 40 EKEB C=CCc1ccccc1OCCSc1nc2ccccc2s1 1926962 DPVJSVVIYIMWJJ-UHFFFAOYSA-N 327.474 5.196 30 40 EKEB CN(C)CC[C@]1(C2=CCCC2)CC/C(=C\c2ccc(Cl)cc2)C1=O 5808335 YPDVRXQZIAHANI-QGUORLBXSA-N 343.898 5.135 30 40 EKEB O=C(/C=C/c1cccs1)c1ccc(C#CCC2CCCCC2)s1 5945288 TYOGGFOGRQPGBB-ACCUITESSA-N 340.513 6.028 30 40 EKEB CCCCCCCCCCCCCCOC(=O)c1ccc(C=O)cc1 59663671 RGBACAXDWUGVFQ-UHFFFAOYSA-N 346.511 6.357 30 40 EKEB COc1cc(C)c(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC 408549185 QMAAAMHMEZKTIB-HZHRSRAPSA-N 331.415 5.430 30 40 EKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC(C)C)c2C#N)C1 572758 JNBAXDBVAHLUMJ-ZDUSSCGKSA-N 332.513 5.145 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OCC 6880662 JSDUWKSAQZBKFW-LPYMAVHISA-N 345.870 5.895 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1OCC 6942378 LJVWCDDIZKECQJ-RCCKNPSSSA-N 327.424 5.023 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C2 100006275 REBJMFRQDKSDHF-TYLXLEQLSA-N 340.250 5.352 30 40 EKEB CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 100017388 PFDZHCMFQQMXSB-UHFFFAOYSA-N 339.907 6.000 30 40 EKEB Cc1ccc2oc(-c3cccc(/N=C/C=C/c4ccco4)c3)nc2c1 101200914 DUHUVIONHFLCSN-JDMRMUDYSA-N 328.371 5.812 30 40 EKEB CCCCCCCCCCCCCCC[C@@H](NN)c1ccccc1 199538097 ZUNHWNWCULNPRP-JOCHJYFZSA-N 332.576 6.672 30 40 EKEB C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C/N=C/c1c(O)ccc4ccccc14)(C3)C2 217557237 FHOMMXBZDRGRMN-JCUJMBSESA-N 333.475 5.571 30 40 EKEB Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C 223572077 RGKJRSNDRGYBRG-KSJDGYIASA-N 340.898 6.121 30 40 EKEB Clc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1Cl 408960693 NWDVNPVJWLWPGD-BKUYFWCQSA-N 333.262 5.734 30 40 EKEB C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(C)cc1 2443099 BHYDXPYCEVQDCS-JXMROGBWSA-N 347.487 5.245 30 40 EKEB FC(F)Oc1ccc(/C=N/c2ccccc2Cc2ccccc2)cc1 3240101 SQKRKVZBGZRDEE-BUVRLJJBSA-N 337.369 5.629 30 40 EKEB C=CCn1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1=S 4127641 VCDROWHEFPYWRS-JLHYYAGUSA-N 337.488 5.597 30 40 EKEB COc1cccc(Oc2ccc(N/C=C/C(=O)C(C)(C)C)cc2)c1 16322672 MUFLENFFAQVIHF-OUKQBFOZSA-N 325.408 5.028 30 40 EKEB aggregator CC(C)=NNc1nc2ccc(-c3nc4cc(C)ccc4o3)cc2s1 40542371 GRGQBTHCOXWKJG-UHFFFAOYSA-N 336.420 5.221 30 40 EKEB CCCCCCCCNCc1cccc(OCc2ccccc2)c1 102561996 ZKXFBNJPIDVDPE-UHFFFAOYSA-N 325.496 5.716 30 40 EKEB CCCCCCCc1ccc(-c2nc(Cc3ccccc3)no2)cc1 2054788 FKTCIDACAUQVMN-UHFFFAOYSA-N 334.463 5.840 30 40 EKEB COc1ccc(C(=O)/C=C\c2sccc2Oc2ccccc2)cc1 33376398 RMKRIECRQAFWAQ-QXMHVHEDSA-N 336.412 5.445 30 40 EKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1 58196804 YIDNZSIGQYUSLT-WUKNDPDISA-N 349.433 6.106 30 40 EKEB C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC 101261147 SBRJFDJPIAPOCA-GPJHCHHRSA-N 335.491 5.186 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC 409218017 SCXHQCNUHUFMRG-CIAFOILYSA-N 329.827 5.281 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(F)cc4)cc3)sc2c1 3303122 LQHKHVMSPGVFJW-YDZHTSKRSA-N 346.430 6.161 30 40 EKEB C/C(=N\OCCOc1ccccc1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 4084876 ORKWGMPNXNPHAW-DSBNWKJFSA-N 337.463 5.385 30 40 EKEB N#Cc1ccc(Oc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 6610474 RYSJQQXLQQRSEI-UHFFFAOYSA-N 347.374 5.161 30 40 EKEB C=CCOC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC 95876446 KHPNSFFGLLOSHH-VQTJNVASSA-N 338.532 5.964 30 40 EKEB Cc1cc(/C=N/c2cccc3cccnc23)c(C)n1-c1ccccc1 408738421 XINXCVILCWGJJM-BUVRLJJBSA-N 325.415 5.393 30 40 EKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 575330588 ZGLMBRPAIDDXLB-HNQUOIGGSA-N 346.086 5.260 30 40 EKEB Cc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 5380177 SNVMHRUWKSPZTJ-FOCLMDBBSA-N 328.411 5.470 30 40 EKEB C(=N/N(c1ccccc1)c1ccccc1)\c1cccn1-c1ccccc1 59302792 BTZLKWUZHBXPLY-LYBHJNIJSA-N 337.426 5.650 30 40 EKEB CCCCCCCCCCCCCCCCCCCCOC(C)=O 59725396 JUCOQIYAKWHGSZ-UHFFFAOYSA-N 340.592 7.591 30 40 EKEB CCCCCCCC[C@@H](CCCCCCCCC#N)c1ccccc1 100298367 YISBZZIOJVHLBX-QHCPKHFHSA-N 341.583 8.165 30 40 EKEB CCCCCCCCCOc1ccc(CCc2ccc(O)cc2)cc1 100938980 HCNVWFWUZQTUBB-UHFFFAOYSA-N 340.507 6.307 30 40 EKEB CCCCCCCCCCC[C@@]1(C)OCO/C1=C\C[N+](C)(C)C 109088602 OIZHSRTZRJBENA-RMWKRFJVSA-N 326.545 5.260 30 40 EKEB CCCC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@H](CCC)C1=O 1666352 XAYKGPNIVWPWTC-OFNKIYASSA-N 334.459 5.127 30 40 EKEB N#Cc1cnc2ccc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 16840717 LZTIWAWMCONRLY-UHFFFAOYSA-N 347.727 5.522 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 38167074 FVZOOJLCWIRRQE-VANJLHIMSA-N 340.507 5.280 30 40 EKEB Cc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461369 BQDOLZDFJFHQQL-SLCIEKFFSA-N 336.416 5.185 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 100160551 RWOZOZVJEXWPLZ-OEAKJJBVSA-N 336.866 6.061 30 40 EKEB Fc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 100384226 PSDUIQPOUIKPEC-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB CCCCCCC[C@@H](/C=C/CCC[C@@H](C)O)c1ccccc1C(=O)O 100443339 KOHQFPCNYVFNDE-MFJAVSIHSA-N 346.511 5.936 30 40 EKEB Cc1ccc(-c2csc(N/N=C3/C[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1 103035314 SJVCVARTRNUBQA-RESWNHNNSA-N 339.508 5.733 30 40 EKEB Clc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 109838680 NZELELWJNGIZEL-MFKUBSTISA-N 349.905 6.558 30 40 EKEB C(=N/c1ccc(C2CCCCC2)cc1)\c1cccn1-c1ccccc1 408853494 USBLLPATSHPLSZ-HKOYGPOVSA-N 328.459 6.276 30 40 EKEB C#CCOc1ccc(/C(CC)=C(/CC)c2ccc(OCC#C)cc2)cc1 1685699 LCTYVHULSYWGNJ-VHXPQNKSSA-N 344.454 5.441 30 40 EKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ccc(F)cc1 3128238 AVRRIBGCZODUDD-UHFFFAOYSA-N 340.810 5.564 30 40 EKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1F 8371913 LTNBSQNIOIMICM-ZVHZXABRSA-N 349.405 5.472 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(F)cc1 16804900 UQUNMLCQMUTRIK-UZYVYHOESA-N 344.842 5.428 30 40 EKEB CCCCCCCOc1ccc(-c2ncc(CCCCC)cn2)cc1 100074459 PFDKPGUDUWSIFX-UHFFFAOYSA-N 340.511 6.226 30 40 EKEB CCCCCCCCCCCC[N+]1(C)CCC[C@@H]1c1cccnc1 100674433 SINKRQTWVXZWEE-LETIRJCYSA-N 331.568 6.284 30 40 EKEB C#CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1Cl 409118093 SHZVFTFSXWINHO-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB C=C(C)Cn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 1323250 MJMZQOKCULCLKV-SFHVURJKSA-N 332.491 5.963 30 40 EKEB biogenic O=C1c2ccccc2[C@@]2(c3ccccc3)O[C@@]12c1cccc2ccccc12 2275528 CNCXDAYVPAKAQI-RPBOFIJWSA-N 348.401 5.205 30 40 EKEB O=C1C(O)=C/C(=N\c2ccc3oc4ccccc4c3c2)c2ccccc21 100461244 UAMZYZYZDNCELW-PTGBLXJZSA-N 339.350 5.345 30 40 EKEB CCCCCCCCCCCCCCCCN[C@@H](C)c1ccccc1 104186150 LYOOOZFJRYISTI-QHCPKHFHSA-N 345.615 7.819 30 40 EKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccco2)c2ccccc21 2200562 BWNPKMKDYBUTPV-FQEVSTJZSA-N 331.396 5.146 30 40 EKEB CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccc(C)cc2)n1 4426142 ADGPWCIVZULCGH-UHFFFAOYSA-N 346.459 5.098 30 40 EKEB N#Cc1c(/N=C/c2ccco2)oc(-c2ccccc2)c1-c1ccccc1 13116357 RITWGIDUBUGTGW-BUVRLJJBSA-N 338.366 5.829 30 40 EKEB CCCCCCCCNC(=S)Nc1ccc(CCCCCC)cc1 59662070 NYIHDDUTUKKLIO-UHFFFAOYSA-N 348.600 6.456 30 40 EKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408591630 JTBABPBIOXUEDI-WSDLNYQXSA-N 336.778 5.022 30 40 EKEB CCCC[C@](C#N)(c1ccccc1)C(c1ccccc1)c1ccccc1 1632684 CTAZCSKQDRVENS-VWLOTQADSA-N 339.482 6.470 30 40 EKEB CCCCCCCCCCCCOc1ccc(C#N)c2ccccc12 2049267 PKDLPBUMTIJCAI-UHFFFAOYSA-N 337.507 7.011 30 40 EKEB Cc1[nH]c2ccccc2c1/C=C/C(=O)c1ccc(Br)cc1 4899019 FYFBEBUIIBYCFK-ZHACJKMWSA-N 340.220 5.135 30 40 EKEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965855 JENUYRAAQJBCER-KOEQRZSOSA-N 344.502 6.011 30 40 EKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccccc3Cl)nc1-2 409047723 PFHGEELVIGQRPU-JMIUGGIZSA-N 340.835 5.127 30 40 EKEB Clc1ccc(/N=C(\Nc2ccc(Cl)cc2)c2ccccc2)cc1 1601724 OMRLGOAOZFVZLR-UHFFFAOYSA-N 341.241 6.184 30 40 EKEB CCCC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@H](CCC)C1=O 1666350 XAYKGPNIVWPWTC-NFBKMPQASA-N 334.459 5.127 30 40 EKEB N#Cc1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCCC2 3228920 RPSVHUQHLWUPJF-SSDVNMTOSA-N 346.402 5.241 30 40 EKEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2cc(Cl)cc(Cl)c2)c1 296876 CQTHWAXRSQWZHU-REZTVBANSA-N 329.570 5.306 30 40 EKEB Cc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)s1 361073 BQGJOGDHCNYPGS-UDWIEESQSA-N 334.469 6.084 30 40 EKEB O=C(/C(=C/c1ccccn1)c1nc2ccccc2s1)c1ccccc1 4867558 KLAVXRBVTCFKGQ-VKAVYKQESA-N 342.423 5.115 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccs3)c2C#N)C1 103583791 GYZSWKSZHSCVSJ-ZICWZVMQSA-N 328.506 5.583 30 40 EKEB Cc1ccccc1/C(=N/c1ccccc1)Oc1ccccc1[N+](=O)[O-] 104190088 RGQKULNBHBJPQX-MRCUWXFGSA-N 332.359 5.061 30 40 EKEB C=CCc1cc(/C=N\c2ccc(C(C)(C)C)cc2)cc(OCC)c1O 408818133 ZJYOFBZDAZLMPK-HAHDFKILSA-N 337.463 5.568 30 40 EKEB C(=N\c1ccc(C2CCCCC2)cc1)\c1ccc(N2CCCC2)cc1 408845448 GXLNUHKDNVYFPR-MOHJPFBDSA-N 332.491 6.085 30 40 EKEB N#Cc1c(/N=C/c2cccc(O)c2)oc(-c2ccco2)c1-c1ccco1 409382308 RLUKYEDQSYFPRC-WSDLNYQXSA-N 344.326 5.127 30 40 EKEB CCCCCCCCCCCCc1c(O)[nH]c2ccccc2c1=O 2106537 GMEZLMHSXCGUOB-UHFFFAOYSA-N 329.484 5.697 30 40 EKEB biogenic C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CCC(C)=O 5380774 RUJSTMILPJJENL-ZJCKWPSLSA-N 330.556 6.881 30 40 EKEB biogenic Oc1ccccc1/C=N/Nc1nc(-c2cccc3ccccc23)cs1 5605030 BNEXILVEYXFKIN-CIAFOILYSA-N 345.427 5.115 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl 6880659 DDFVPTFQGZFASA-SRZZPIQSSA-N 336.262 6.150 30 40 EKEB CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(C)cc1)c1ccccc1-2 22246902 VKKKAOFQQMTMJT-ZNTNEXAZSA-N 326.399 5.103 30 40 EKEB CCCCCCCCCCc1nc2ccccc2n1CCC(C)C 101433877 PVFNPDPHPGNYGX-UHFFFAOYSA-N 328.544 6.766 30 40 EKEB Cc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3o2)cc1 102417480 DHSMBGSBKXGOOT-YDZHTSKRSA-N 346.817 6.207 30 40 EKEB COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)cc2)cc1 254312316 WHVPISQBOXRCHR-UHFFFAOYSA-N 344.414 5.205 30 40 EKEB COc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1Cl 65496 DAPXYNLLCJJGQA-SRZZPIQSSA-N 330.214 5.906 30 40 EKEB Cc1cc(O)c(/N=C/C=C/c2cccc(Br)c2)cc1C 2051927 IPEYQCBOPCIYIV-LKIKGXGASA-N 330.225 5.187 30 40 EKEB Clc1ccc(CN/N=C/c2c3ccccc3cc3ccccc23)cc1 4402155 IBWFVHDACXIYCS-MFKUBSTISA-N 344.845 5.770 30 40 EKEB CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)CO 43442977 IPVYNYWIRWMRHH-PISNEZEASA-N 339.564 5.521 30 40 EKEB in-vitro OCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 82207587 DGNNLLZHFZKHFJ-UHFFFAOYSA-N 348.249 5.178 30 40 EKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccc(O)cc1 494272 HUKSSDIKLBOAHH-HSZRJFAPSA-N 341.410 5.219 30 40 EKEB Oc1ccccc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 5003840 FGLYCLMIXYHFPL-WSDLNYQXSA-N 348.789 5.604 30 40 EKEB O=[N+]([O-])c1ccc(CSC#CC23CC4CC(CC(C4)C2)C3)cc1 20437038 CRKZUUZSPHCUAU-UHFFFAOYSA-N 327.449 5.005 30 40 EKEB N#Cc1c(OCc2ccccc2)nc(-c2ccccc2)c2c1CCCC2 170622711 RZRKYTLZTYBOLV-UHFFFAOYSA-N 340.426 5.078 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(O)cc3)cc21 198083947 VYSJSSMGOKNOLJ-AEOXGOBCSA-N 342.870 5.518 30 40 EKEB N#C[C@]1(c2nc3ccccc3s2)C[C@@H]1c1ccc(Cl)cc1Cl 2625037 UYINWSGGEKJDLS-SJKOYZFVSA-N 345.254 5.552 30 40 EKEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1c(C)cc(C)cc1C 2677146 HROOVTWJIXXTMC-UHFFFAOYSA-O 349.523 5.866 30 40 EKEB O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccccc1 4537199 XVGRJSMOSRMBPS-PKNBQFBNSA-N 343.209 6.150 30 40 EKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 409097755 NKRWFLJIWATTTN-CCEZHUSRSA-N 349.817 5.941 30 40 EKEB COc1cc(/C=N/c2ccc(CSc3ccccc3)cc2)ccc1O 20242204 OQPPHSKHGOBVRJ-HYARGMPZSA-N 349.455 5.444 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C)c(Cl)c2)cc1 44843256 XTIDXPSFDPPCHN-VAWYXSNFSA-N 343.854 5.636 30 40 EKEB CCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12 97949432 HTMLTJVZAKTDCV-UHFFFAOYSA-N 341.499 5.380 30 40 EKEB CCCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 102560991 CZLWSJRUALUECE-UHFFFAOYSA-N 340.294 6.313 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2cc(Cl)ccc2C)cc1 409200352 HXKNYJOHTQEQNV-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 4561970 ZPMYNYHMOSOAKK-UHFFFAOYSA-N 344.483 6.179 30 40 EKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cccc2ccccc12 4863583 QMNIAHXKHYFSMO-ZVHZXABRSA-N 345.833 5.878 30 40 EKEB CCOc1ccccc1/C=N/N(Cc1ccccc1)c1ccccc1 4925897 TZZKHKIEJUPHSB-HAVVHWLPSA-N 330.431 5.126 30 40 EKEB CCCCCCCCC(=O)Nc1ccc(C(=O)OCCCC)cc1 97941847 MFCOVPIPGJAHHF-UHFFFAOYSA-N 333.472 5.333 30 40 EKEB C=CC/N=c1/scc(-c2ccc(Cl)cc2)n1/N=C/C(CC)CC 103462210 UKZFQTOCBLCXER-OMCZYTENSA-N 347.915 5.227 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408765094 KEGQRKFFLOPXMB-OAKZWBAKSA-N 344.502 6.667 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc(F)c1 409078642 IZRZNTJEWZMUDH-AFUMVMLFSA-N 349.449 5.750 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl 59103 MJPMPZDJOLQOFR-IFRROFPPSA-N 334.124 5.468 30 40 EKEB N#Cc1c(/N=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 3152944 NGNSJCHUNNNQKG-AWQFTUOYSA-N 335.259 5.556 30 40 EKEB CCCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC 6323398 YWBJIDBCDWEHFG-CPNJWEJPSA-N 340.444 5.204 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC 8084341 FRUXEAFOMDNNNP-FYJGNVAPSA-N 329.827 5.226 30 40 EKEB CCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 100233118 PMVGLKMPRFQYQM-SAPNQHFASA-N 348.490 6.186 30 40 EKEB CCCCCCCCCCC#Cc1ccccc1OC(F)(F)F 101736242 XPHHVPHBHVUTCG-UHFFFAOYSA-N 326.402 6.468 30 40 EKEB CC(C)c1cc(/C=C2\Sc3ccccc3C2=O)cc(C(C)C)c1O 408859458 UKMIHKNKUVYQNS-ODLFYWEKSA-N 338.472 5.969 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C#N)C1 409090814 QKHMDGPEKXYWQY-XMTZNVEYSA-N 340.467 5.660 30 40 EKEB CCCCC1CCC(c2nc(C#N)c(N(C)C3CCCCC3)o2)CC1 585152241 FTIGNCTUYBOJSD-UHFFFAOYSA-N 343.515 5.779 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 59109 DHZHGKWCYJKMBE-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccs2)c2ccccc21 2327432 PSQKUEXFFGOHPJ-FQEVSTJZSA-N 347.464 5.615 30 40 EKEB Cc1cc(Nc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2n1 5520796 MTIZAVWZBQDRCS-UHFFFAOYSA-N 327.309 5.177 30 40 EKEB O=C(/C(=N/Nc1cccc(Cl)c1)c1ccccc1)c1ccccc1 8380649 UYRPUIKKHDQVIZ-FCDQGJHFSA-N 334.806 5.039 30 40 EKEB Cn1c2ccccc2c2cc(/C=C3\CCc4ccccc4C3=O)ccc21 17118340 SNJLKRWHUXYTJF-NBVRZTHBSA-N 337.422 5.544 30 40 EKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccco1)c1cccs1 33467429 OTZQAQUEXNTPOP-ZHACJKMWSA-N 346.411 5.090 30 40 EKEB CCc1cccc2c(C#N)cn(CCCOc3ccccc3Cl)c12 409197823 PPTLJLAIVUSMHR-UHFFFAOYSA-N 338.838 5.198 30 40 EKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c([N+](=O)[O-])c1 5543164 LGEZGFFYOAHLCP-DHZHZOJOSA-N 333.343 5.059 30 40 EKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1c(C)cccc1C 32100478 ZIVYDPQSPULQCT-SDNWHVSQSA-N 344.252 5.265 30 40 EKEB O=C(Nc1cccc(Cl)c1)[C@@H]1CCC/C1=N/c1cccc(Cl)c1 104077919 AGXFOJPZNKUIGM-ZKCWRFQVSA-N 347.245 5.505 30 40 EKEB O=C(/C=C/c1ccccc1)c1cc(OC(F)(F)F)ccc1Cl 575361462 HKMMWTYKUQGBLZ-RMKNXTFCSA-N 326.701 5.135 30 40 EKEB COc1ccc(C(=O)/C=C/Sc2cc(Cl)ccc2Cl)cc1 133709 BCCHKSOMNHCNSK-CMDGGOBGSA-N 339.243 5.491 30 40 EKEB O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1 1685494 MNFGLQYSNLSOHP-RFTYBOQRSA-N 343.253 6.213 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(F)c3)cc2)c1 8368136 FEJFZWADNWSEST-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB N#Cc1nc(-c2ccc(Cl)cc2)oc1SCc1ccccc1 72427727 WMCFTDRITQWZCH-UHFFFAOYSA-N 326.808 5.159 30 40 EKEB C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](OCC)OC1=O 98214428 HUJJMXMBEMUVOX-DUUNTCLCSA-N 346.511 5.411 30 40 EKEB biogenic COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)cc1 409230872 GUTBGEMTZLNDJO-STZFKDTASA-N 328.843 5.090 30 40 EKEB Cc1cc(C)c(C#N)c(S[C@@H](C#N)c2ccc(Cl)cc2Cl)n1 1404188 IKHQIAMJGVBTDP-HNNXBMFYSA-N 348.258 5.234 30 40 EKEB CC(C)(C)c1ccc(C(C)(C)C)c(/N=C/c2ccc3ccccc3n2)c1 2182772 VHFWOEDBSNIQFW-PCLIKHOPSA-N 344.502 6.580 30 40 EKEB Clc1ccccc1/N=C(\Nc1ccccc1Cl)c1ccccc1 4474534 LTSXQEXKHABZGG-UHFFFAOYSA-N 341.241 6.184 30 40 EKEB Fc1ccc(-c2ccc(/C=N/Nc3ccc(Cl)c(Cl)c3)o2)cc1 6598072 RUNPAEVVMGKJQS-UFFVCSGVSA-N 349.192 5.839 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408741843 SHZGKBQTXZFOBB-HZHRSRAPSA-N 331.463 5.219 30 40 EKEB Cc1cc(/C=N\c2ccc(Br)cc2)ccc1N1CCCC1 408850622 PQRWTRCEYLLHPI-MOSHPQCFSA-N 343.268 5.108 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl 409213554 PQXKBQRUPNAYDG-SRZZPIQSSA-N 334.246 5.926 30 40 EKEB CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccc2)c1O)CCCC3 2292469 GQFUCYQZSUTLPH-ZVHZXABRSA-N 347.458 6.065 30 40 EKEB Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl 3080535 UERLRHHCPLBEMB-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)cc1 3127269 KQHREMKVJRCCPA-WSDLNYQXSA-N 333.778 5.294 30 40 EKEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc(Cl)cc1 3128330 FHMUOZBEOVNVPJ-UHFFFAOYSA-N 340.810 5.564 30 40 EKEB O=C(/C=C\c1cccc2ccccc12)c1ccc(Cl)cc1Cl 5722624 DFKKJKLEGKUZNZ-FLIBITNWSA-N 327.210 6.043 30 40 EKEB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3C#N)o2)cc1 7383781 ZPFMDDLLLUYJPF-UHFFFAOYSA-N 349.459 5.198 30 40 EKEB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc(-c2ccccc2)c1 63874630 KOKOTARCUDTBNM-MDZDMXLPSA-N 335.384 5.219 30 40 EKEB CCCCCCCCCCCNC(=O)CCc1ccc(OC)cc1 102064409 UMSGWVPUQWTMQK-UHFFFAOYSA-N 333.516 5.275 30 40 EKEB C=CCOc1ccc(Br)cc1CNc1cccc(C)c1C 409117741 MMSLLSQZCYENEW-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB C=CCSc1nc(SCC=C)c2c3c(sc2n1)CCCC3 2095385 XXUAKNIHIVQTMR-UHFFFAOYSA-N 334.535 5.126 30 40 EKEB CCCCCCCCCCCc1nc2cc(Cl)ccc2c(=O)o1 2154248 JSSWMLWRDISSJX-UHFFFAOYSA-N 335.875 5.915 30 40 EKEB N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 4002815 BISVZBNAVUGLBM-CCEZHUSRSA-N 335.410 5.127 30 40 EKEB Cc1cc(C)c2c(c1)/C(=N/C1CCCCC1)c1cc3ccccc3nc1-2 13301408 DFOKRQCVEPUGJD-BZZOAKBMSA-N 340.470 6.002 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccs3)c2C#N)C1 17067373 GYZSWKSZHSCVSJ-OEKFUPINSA-N 328.506 5.583 30 40 EKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3c(c2)Cc2cc(Cl)ccc2-3)cc1 18152221 MBQJOWVROSITSF-WSDLNYQXSA-N 348.789 5.570 30 40 EKEB C=CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C(F)(F)F)c1 225956697 WDKYSQXWBIRSLM-UHFFFAOYSA-N 329.362 5.033 30 40 EKEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(Oc2ccccc2)cc1 409351775 WPBQDACCZUSDKF-CCEZHUSRSA-N 333.387 5.579 30 40 EKEB N#C[C@H](c1ccccc1)[C@H](c1ccccc1)c1cccc2ccccc12 1564948 ORUOOZRLKXSWDE-JWQCQUIFSA-N 333.434 6.279 30 40 EKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 17124125 PVZWZWTWHPQAQC-SDNWHVSQSA-N 348.829 5.815 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(C(C)(C)C)cc1 59483039 VZSOQVWSDXHLBF-HZHRSRAPSA-N 349.503 5.944 30 40 EKEB CSc1cccc(N/C=C/c2onc(-c3ccccc3)c2C#N)c1 100324637 ZHHGIXWXKUAPIE-ZHACJKMWSA-N 333.416 5.018 30 40 EKEB CCCCC/C=C/C/C=C/CCCCCCCCOS(C)(=O)=O 113221897 JJFLSSAGKSQEHW-ZDVGBALWSA-N 344.561 5.776 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1 229681689 MHVRYHFVOKXUDT-VDORGGRHSA-N 342.398 5.237 30 40 EKEB N#Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccccc2)cc1 408618516 DDWORGSJYSQSLT-NTCAYCPXSA-N 339.394 5.033 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C#N)C1 209985 WQYFYKIQHJQKML-CQSZACIVSA-N 338.476 5.023 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C#N)cc2)c1C 1093638 KBFYFKDYVVHSAG-BUVRLJJBSA-N 327.431 5.279 30 40 EKEB C1=C[C@H](c2ccc(/C=N/Nc3nc4ccccc4s3)s2)CC1 5447384 VBOJPFNBHCXMHK-HWQJWEFDSA-N 325.462 5.237 30 40 EKEB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)Cc2ccccc21 6340217 QETVQDHHIBLDSQ-DEDYPNTBSA-N 326.395 5.088 30 40 EKEB O=C(/C(=N/N=C/c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 12339001 KWQRBQAHDAEYIK-OJMJSWISSA-N 346.817 5.046 30 40 EKEB CCCCCCCNCc1cccc(OCc2ccc(Cl)cc2)c1 102568251 YSZJVGXPZKZOTF-UHFFFAOYSA-N 345.914 5.979 30 40 EKEB Cc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408910936 MCDPGUBHLWRJNW-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB CCc1c(C)sc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 375540 OTQBDZZDJOXWKU-UHFFFAOYSA-N 339.247 5.050 30 40 EKEB CC(C)Oc1ccc(C(=O)/C=C/Nc2cccc(C(F)(F)F)c2)cc1 33737666 BDCUELZVQQXWJF-ZHACJKMWSA-N 349.352 5.301 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCN1CCOCC1 42764757 OSNVKHBQAYVRFA-KTKRTIGZSA-N 337.592 6.356 30 40 EKEB N#CCc1cn(-c2ccc(Br)cc2Cl)c2ccccc12 95915879 OJKONJPIAXYGAT-UHFFFAOYSA-N 345.627 5.112 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1C 409213436 VDIBYTNRJJYZFQ-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CN(C)c1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1 528786 GLMNLHMJOXVWGL-HZHRSRAPSA-N 346.478 5.358 30 40 EKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)c1 4491625 JMWLMCKLDSPPQO-CPNJWEJPSA-N 344.439 5.040 30 40 EKEB Cc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(Cl)cc2)cc1 5698504 VKJLWIMJOWWSDZ-GDNBJRDFSA-N 328.824 5.176 30 40 EKEB CCCCc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 6026263 PQXGHSLAIDEGIZ-LFVJCYFKSA-N 338.470 5.828 30 40 EKEB O=C(/C=C/c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 16943191 PTMVSVXGAAECBG-GIDUJCDVSA-N 329.355 5.158 30 40 EKEB CCCCCCCCCCCCc1ccc(O)c2nc(C)ccc12 100935865 KIIMXJUNPIOAIA-UHFFFAOYSA-N 327.512 6.712 30 40 EKEB CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 253505465 QCPOUGYGVCEUFB-JSPFKUNFSA-N 328.540 6.181 30 40 EKEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc2ncccc2c1 408967551 UBSNXCGPAXVIFC-OYKKKHCWSA-N 341.414 5.099 30 40 EKEB CCCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 409212480 QLAXJWNRGDZRBC-QJOMJCCJSA-N 331.415 6.018 30 40 EKEB CCC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(OC)c2O)c1 3136604 AIWPQNYPGXUEQO-OVMKCGGTSA-N 347.842 5.414 30 40 EKEB N#Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl 4876883 AODPCPYSMDFGBZ-UHFFFAOYSA-N 347.226 5.332 30 40 EKEB CCCCCCCCCCCCCCCCCCNCCCO 101513059 RWRUGQKPFWDUSQ-UHFFFAOYSA-N 327.597 6.220 30 40 EKEB CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530491 IICPDVVTTGLPAT-BQYQJAHWSA-N 330.234 5.981 30 40 EKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(F)cc1 408776563 VYMSJWQMNOVFKO-FOKLQQMPSA-N 344.792 5.776 30 40 EKEB CCCc1ccc(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 33756 JXJCOCUGZSOWDK-UHFFFAOYSA-N 337.275 5.505 30 40 EKEB COc1ccc(/N=C/c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 4805458 AAYIVONWUUXWMB-GIJQJNRQSA-N 346.795 5.222 30 40 EKEB C/C(=N\Nc1nncc2ccccc12)c1ccc(-c2ccccc2)cc1 6287601 BADVJZJJVGEWPH-LFVJCYFKSA-N 338.414 5.133 30 40 EKEB O=C1/C(=C/c2ccc(Br)cc2)c2cccc3cccc1c23 12378072 IRPFVLYHJRFGGX-GZTJUZNOSA-N 335.200 5.339 30 40 EKEB Clc1ccc(Oc2cc(C#Cc3ccccc3)cc3nonc23)cc1 66091772 CROICWBSFUPYDX-UHFFFAOYSA-N 346.773 5.068 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccccc1 102615707 YRVXLZXCGBCIDL-CZIZESTLSA-N 326.852 5.288 30 40 EKEB CC(C)[C@@H]1CC[C@@H](C)/C(=C/C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 136061446 CDLMGTMYJCSWTE-YPOUYRJCSA-N 330.512 5.382 30 40 EKEB CCCCCCCC[C@@H]1[C@@H](CCCCCCCC(=O)OC)N1C 169805633 ZDSHEDCEQBPCFU-AQFHOAJTSA-N 325.537 5.323 30 40 EKEB N#Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 2628501 RCVYDBIOGAFXNG-UHFFFAOYSA-N 329.384 5.022 30 40 EKEB O=[N+]([O-])c1ccc(/C(=N/c2ccccc2)Sc2ccccc2)cc1 16451040 UNYKGBUADHYDRC-VXPUYCOJSA-N 334.400 5.465 30 40 EKEB Cc1cc(C(=O)/C=C/c2ccccc2OCc2cccnc2)c(C)s1 96998526 LBUMWIAEYPNJLJ-MDZDMXLPSA-N 349.455 5.235 30 40 EKEB CCCCCCCCCCCCCCCC(=O)N1CCCCCC1 100305772 CACPGDGHDNBWNV-UHFFFAOYSA-N 337.592 6.870 30 40 EKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 3112631 BANCLKMDOKHKKU-BUVRLJJBSA-N 343.426 5.582 30 40 EKEB S=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1 5602272 GCBOADHXGFAGNR-HAHDFKILSA-N 340.451 5.292 30 40 EKEB COc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1Cl 8277747 SDAVHDNEKNHYLX-UFWORHAWSA-N 328.626 5.714 30 40 EKEB C(=N/c1ccc(CSc2ccccc2)cc1)\c1ccc2c(c1)OCO2 20242224 NYXFAIFWLVBHTA-LPYMAVHISA-N 347.439 5.458 30 40 EKEB CC(C)c1nc(C#N)c(NCc2ccc(Oc3ccccc3)cc2)o1 72238602 LKDFBDPPHRLWTQ-UHFFFAOYSA-N 333.391 5.074 30 40 EKEB Oc1ccc2cccc(/C=N/c3nc(-c4ccccc4)cs3)c2c1 100685184 SNMRRECPDXDYCC-CIAFOILYSA-N 330.412 5.420 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2)c1C 408965518 IBUQQFAWCXSFLJ-UCQKPKSFSA-N 336.866 6.061 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1 409210151 FGBMIAXLSAKODZ-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2ccccc12 25720682 YTSVFFPNSUYXPJ-UHFFFAOYSA-N 348.405 5.631 30 40 EKEB CCOc1ccccc1/C=N/c1ccccc1C(=O)Nc1ccccc1 100004077 NWVFFHZQABIZMB-XQNSMLJCSA-N 344.414 5.088 30 40 EKEB CCOc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccccc1 101602472 KFQMQJDFYQQFED-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB CCCCCCCCCCSc1nc2c3ccccc3ncn2n1 103005648 UOTGBQLRKQTFJJ-UHFFFAOYSA-N 342.512 5.510 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C)c(C)c2)c1C 164317244 HUUMTLAPBXLFCD-BUVRLJJBSA-N 330.475 6.024 30 40 EKEB C=CCc1cc(CO)cc(OCC)c1OCc1cccc2ccccc12 409109432 DTIFVZJWWIDIFN-UHFFFAOYSA-N 348.442 5.038 30 40 EKEB C=CCOc1ccc(CNc2cccc(Cl)c2C)cc1OCC 409111126 AZOLOKFQYDCEBL-UHFFFAOYSA-N 331.843 5.224 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1 409202339 RTONGVGSOYOVTO-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CC(=C/c1ccccc1)/C=N/Nc1cc(C(F)(F)F)ccc1Cl 3238639 DMTOZVLWSLHUFP-KBEYTLSJSA-N 338.760 5.860 30 40 EKEB COc1cc(/C=N/c2ccc3oc4ccccc4c3c2)cc(OC)c1O 3251065 ZGBZLKBNRAGECC-WSDLNYQXSA-N 347.370 5.059 30 40 EKEB CCCCCCCNC(=O)c1csc(Nc2ccc(C)c(C)c2)n1 98045178 RRRYFKCKXVIAHL-UHFFFAOYSA-N 345.512 5.204 30 40 EKEB CCCCCCCCOc1c(Br)cc(C=O)cc1OC 100154014 VNJOAFSMTCNNTO-UHFFFAOYSA-N 343.261 5.010 30 40 EKEB COc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 100349544 MLOFMCLIXPXJQR-OEAKJJBVSA-N 332.447 5.470 30 40 EKEB N#Cc1cc(/N=N/c2ccccc2)ccc1OCC(=O)c1ccccc1 5515487 GXKJTXPIDGQAPK-WCWDXBQESA-N 341.370 5.235 30 40 EKEB O=[N+]([O-])c1ccc(N/N=C(\N=N\c2ccccc2)c2ccccc2)cc1 18054445 GDFUXTMRKPSXDG-UATKBZSTSA-N 345.362 5.152 30 40 EKEB N#Cc1ccccc1/C=C\c1ccc(/C=C/c2ccccc2C#N)cc1 38611161 RBABXJPJIHMBBP-VCFJNTAESA-N 332.406 5.771 30 40 EKEB CCCCCCCCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 97941851 ZEOADEUGYNDCOP-UHFFFAOYSA-N 334.460 5.164 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](C)O 100063363 ZVTDEEBSWIQAFJ-CTDFXDFQSA-N 340.548 5.948 30 40 EKEB CCCCCCCCCCCCN1C=CN(Cc2ccccc2)[C@@H]1C 100302986 XARDPWVLRCPWDL-JOCHJYFZSA-N 342.571 6.542 30 40 EKEB CSc1nsc(/C=C/Nc2cc(Cl)cc(Cl)c2)c1C#N 100381601 RFJQNHIBIKYDKH-NSCUHMNNSA-N 342.276 5.126 30 40 EKEB Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21 4710525 XALVZWXUCMNWHV-OAQYLSRUSA-N 340.426 5.108 30 40 EKEB CCCCCCCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 100978786 TWSSQDJSWZOXNN-UHFFFAOYSA-N 340.851 5.636 30 40 EKEB C=CCOc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 408736664 ZVJYTLOJHGZGAG-UWVAXJGDSA-N 337.850 5.731 30 40 EKEB CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408738469 YAXRHSIQRBLTBW-OEAKJJBVSA-N 336.410 5.383 30 40 EKEB Cc1ccc(SC(C)(C)/C=N/OCc2ccc(Cl)cc2)cc1 3134250 NFGBWPREGXQNLO-DEDYPNTBSA-N 333.884 5.722 30 40 EKEB CCOc1ccccc1/N=C/c1cccc(OCc2ccccc2)c1 3195706 FFFIUYZWAGPLOU-XQNSMLJCSA-N 331.415 5.415 30 40 EKEB N#Cc1ccc(/C=C/c2ccc(/C=C\c3ccccc3C#N)cc2)cc1 71603427 OQVQNTRMZCGXIB-ZMHWZQNNSA-N 332.406 5.771 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc([N+](=O)[O-])c3)c2C)c1 100116580 UJBHDIRLTRHJPS-LPYMAVHISA-N 347.418 5.370 30 40 EKEB CCc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)cc1 198160324 IEEGTWQFDLGWNS-LFVJCYFKSA-N 332.491 6.021 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccccc3F)cc1)C2 408733945 SROHVPHHMOOSSQ-DHRITJCHSA-N 344.433 5.713 30 40 EKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1C1CCCCC1 408742224 VIVKRTLSMPXGGG-BUVRLJJBSA-N 331.463 5.909 30 40 EKEB O=C(/C=C\C1=C[C@H]([C@@H]2CCCCCN2)c2ccccc21)c1ccccc1 97447423 HDTMITJODROCMS-PSEFYWOQSA-N 343.470 5.139 30 40 EKEB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)CC1 100003890 QKEBUASRTJNJJS-TYKWCNGQSA-N 331.503 7.079 30 40 EKEB O=[N+]([O-])c1cccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 100384126 CTFBVJPJZMFFSR-FYJGNVAPSA-N 343.342 5.154 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3O)cc21 223523602 LIUCKGRTCHJJOJ-UUYOSTAYSA-N 340.854 5.428 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2OCC)c1 3227682 AQAXAEXNFBBDDD-UHFFFAOYSA-N 338.451 5.175 30 40 EKEB aggregator C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2ccccc2c1 4925941 DTXPJVOUSXLQLW-CIAFOILYSA-N 338.794 5.028 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(O)cc3)cc21 223476699 XXBQOPWFXSSNGV-OEAKJJBVSA-N 334.463 5.553 30 40 EKEB Cc1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408737478 BGODOXJLHHMJJY-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB N#CC[C@H](C#N)c1c(-c2ccccc2)cn2c1sc1ccccc12 386637 KBJOOCPSDIDBSD-OAHLLOKOSA-N 327.412 5.342 30 40 EKEB [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2sc(-c3ccccc3)c(Cl)c12 15084465 WAQYAPHCNLXTMX-UHFFFAOYSA-N 330.756 6.072 30 40 EKEB C/C=C/C=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 17142745 SRXVDPUCEILPPO-BJCWMCAESA-N 343.495 6.274 30 40 EKEB Cc1nc(N)c(C#N)c(-c2ccc(C(C)C)cc2)c1-c1ccccc1 34954068 CILPMVPXLSGZJT-UHFFFAOYSA-N 327.431 5.301 30 40 EKEB CCCC[Sn](CCC#N)(CCCC)CCCC 195775802 XMBKDJLAGVMJNV-UHFFFAOYSA-N 344.131 5.749 30 40 EKEB Fc1cccc(Cn2ccc3cc(/C=N\c4cccc(F)c4)ccc32)c1 409231489 JJVIIESSYSKLMF-QFEZKATASA-N 346.380 5.718 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cc(C)ccc2C)cc1OC 409384739 FBDHCJBLSSNFJX-SRMCNWIXSA-N 345.870 5.893 30 40 EKEB N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCc1ccccc1 67515 VDLKRULMHOVDRL-UHFFFAOYSA-N 348.496 5.851 30 40 EKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)ccc1O 569002 RQZDUHCWYVFBNB-ZGXHQARYSA-N 332.241 5.419 30 40 EKEB FC(F)(F)c1cccc(N/N=C/c2ccccc2C(F)(F)F)c1 5020129 IRGBPOCDZVRHEU-LSFURLLWSA-N 332.247 5.170 30 40 EKEB C[C@@H]1C/C(=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 5505515 LRQLZZCNRGVQPM-DSNOEGRGSA-N 343.349 5.228 30 40 EKEB COc1cccc(Oc2ccc(N/C=C3/CCC[C@@H](C)C3=O)cc2)c1 6714035 IJQMSUIBAFRXKE-VZHUHSAUSA-N 337.419 5.172 30 40 EKEB Cc1nc(SCc2ccccc2C#N)n(C2CCCCC2)c1C 10870465 ZCEZVIKRAPPVMK-UHFFFAOYSA-N 325.481 5.169 30 40 EKEB Oc1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1C(F)(F)F 44835798 IHQBDWZKLACLPU-SCDVKCJHSA-N 334.124 5.468 30 40 EKEB FC(F)(F)Sc1cc(Cl)ncc1C(F)(F)C(F)(F)F 97950031 DOFBDHMKFWPVMG-UHFFFAOYSA-N 331.615 5.001 30 40 EKEB CCCCCCCCCCC(=O)CCCC(=O)NCCCCCC 101674696 WGJGRDSSDBABPR-UHFFFAOYSA-N 339.564 5.953 30 40 EKEB CC1(C)C/C(=N\O)[C@@H]2C=C(c3ccccc3)N(c3ccccc3)[C@H]2C1 4733302 NZYZTHSCGJTRQR-MPUDGSPWSA-N 332.447 5.183 30 40 EKEB FC(F)(F)c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 5691247 FSNLCZYEBYVJFY-AUEPDCJTSA-N 349.743 5.353 30 40 EKEB C=CCn1c(S[C@H](C)CCSc2ccccc2)nnc1C1CC1 84637479 VQYJHVLFWDNXKF-CQSZACIVSA-N 345.537 5.005 30 40 EKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 408625828 ZGMIFLOXMLIPFC-OUKQBFOZSA-N 335.834 5.644 30 40 EKEB N#CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 408736222 MKVYJRFZOGXJOV-UWVAXJGDSA-N 336.822 5.069 30 40 EKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)cc1 409199457 CVVSYSLGWACKFL-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB C1=C[C@@H](c2ccc(/C=N/Nc3nc4ccccc4s3)s2)CC1 5447385 VBOJPFNBHCXMHK-MBNTZHJCSA-N 325.462 5.237 30 40 EKEB Oc1c(/C=N\c2cccc(Br)c2)ccc2ccccc12 100248419 NFTVASZWBBPDGV-ODLFYWEKSA-N 326.193 5.059 30 40 EKEB CCCCCCCCCCCCCCCCCC1=NC(C)(C)CO1 100307599 NVSOSXIRJQBCAP-UHFFFAOYSA-N 337.592 7.455 30 40 EKEB CCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1 102315497 LOUSASKCRIPPDT-WCWDXBQESA-N 338.495 7.622 30 40 EKEB COc1ccc([C@@H]2CC(O)=C/C(=N\c3cc(Cl)ccc3O)C2)cc1 104162169 WWTGHJZRNGDWSR-HJIPDZNASA-N 343.810 5.146 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2ccccc2CC)cc1OC 409113379 FTWVVDNFXMLRBP-UHFFFAOYSA-N 337.463 5.163 30 40 EKEB Cc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2894642 WXZJJZACPKMKAP-OEAKJJBVSA-N 342.467 6.331 30 40 EKEB Cc1ccsc1/C=C/C1=Cc2c(sc(N)c2C#N)C(C)(C)C1 3246423 RUVCLUXYAMCIRP-SNAWJCMRSA-N 326.490 5.350 30 40 EKEB COc1ccc(C(=O)ON=C2CCCCCCCCCCC2)cc1 4118223 WOOZHZBBQODBMS-UHFFFAOYSA-N 331.456 5.513 30 40 EKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(Cl)s1 6339763 JLCNNUYXZWOJIW-ZZXKWVIFSA-N 327.630 5.060 30 40 EKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 20242186 AFPAFSYZIVZYTG-KGENOOAVSA-N 348.427 5.638 30 40 EKEB Cc1cc(C)c2c(c1)/C(=N\C1CCCCC1)c1cc3ccccc3nc1-2 100494371 DFOKRQCVEPUGJD-WJTDDFOZSA-N 340.470 6.002 30 40 EKEB CCCCC(=O)C1=C(Nc2ccc3ccccc3c2)CC(C)(C)CC1=O 4406332 WUAKOVSBXNUYRJ-UHFFFAOYSA-N 349.474 5.654 30 40 EKEB Clc1ccccc1/C=N/c1nc2ccccc2n1Cc1ccccc1 4741743 BLPOLAVLLSCQCK-OEAKJJBVSA-N 345.833 5.489 30 40 EKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 5328109 RJGYJZHKLBNGTH-VZRDRIGRSA-N 337.290 6.182 30 40 EKEB CC(C)[C@]1(C)CC[C@@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O 6415517 GGHFMFVEFSJANJ-AMASQTPZSA-N 325.279 6.038 30 40 EKEB Cc1nc(-c2cccnc2)sc1C(=O)/C=C/c1ccc(Cl)cc1 95586990 AIXLCNKKZJKDBW-RMKNXTFCSA-N 340.835 5.063 30 40 EKEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409053332 BXXBUNZOKNBGSW-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(C)c1O 568995 WOIVKIZIKMMMNP-DQAKUKQTSA-N 346.268 5.727 30 40 EKEB C=C1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 3849889 USISGGVIAQLXQF-BZDFKLGJSA-N 330.512 5.517 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 6880669 AVQKRWOHGPIAFC-CIAFOILYSA-N 331.843 5.505 30 40 EKEB COc1ccc(/N=N/C(=N/Nc2ccccc2)c2ccccc2)cc1 13424358 CCCNXDPMLWXWML-FWOYJBNGSA-N 330.391 5.253 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408934573 LXYGTFSMCFYPKT-IKTNTUJMSA-N 336.357 5.329 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCC 409113729 FAFWFJKATYWYNV-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB N#Cc1c(Cl)nsc1-c1ccc(CSc2ccccn2)cc1 161508 LOFGYEOBNOLJEU-UHFFFAOYSA-N 343.864 5.022 30 40 EKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C)cc1 2443737 ZAZBJHAGHZHKRN-UHFFFAOYSA-N 335.476 5.040 30 40 EKEB N#Cc1ccc(/C=C\c2ccc(/C=C\c3ccc(C#N)cc3)cc2)cc1 31372566 KIAAMJMIIHTGBH-SFECMWDFSA-N 332.406 5.771 30 40 EKEB CN(C)c1ccc(/C=C\C(=N\Nc2ccccc2)c2ccccc2)cc1 33368409 PGXVQLMSRMMTSF-RAOUGZJESA-N 341.458 5.282 30 40 EKEB CCCCCCCCCCCCCCCCc1c(C)ncn(C)c1=O 104140064 MCRYNHIUFRQUSK-UHFFFAOYSA-N 348.575 6.113 30 40 EKEB COc1ccc(O)c(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1 104212162 PWIQVDVXSMHYPT-FFRCMLGQSA-N 331.375 5.567 30 40 EKEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C 253617324 IVXCPPFOKIYBRE-UCKAWJCSSA-N 328.540 5.420 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc4c(c3)OCO4)c2C)cc1 408762765 GESONRXMVYWYRG-QRVIBDJDSA-N 346.430 5.136 30 40 EKEB Fc1ccccc1/N=C\c1cccn1-c1cccc(Br)c1 409015187 ATEYJGKPEPBLHU-NDENLUEZSA-N 343.199 5.130 30 40 EKEB C/C(Nc1ccc(Br)cc1)=C1\Sc2ccccc2C1=O 100094869 KLCVFAVYWPRQIP-MHWRWJLKSA-N 346.249 5.081 30 40 EKEB CCCCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 100870695 XGOHLQCHAGLKHP-CQOQZXRMSA-N 349.518 6.008 30 40 EKEB C=CCSC1=N[C@@H](c2ccccc2Cl)C=C(c2ccccc2)N1 3671415 ZKVQSMOBYYTFQF-GOSISDBHSA-N 340.879 5.301 30 40 EKEB C(=N\N=C1c2ccccc2-c2ccccc21)\c1cccc2ccccc12 5031751 YNEZTEXFPYQEBK-XYGWBWBKSA-N 332.406 5.692 30 40 EKEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1Cl 29206675 FZAHXMSARRTMGD-UHFFFAOYSA-N 337.831 5.054 30 40 EKEB CCCCCCCc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 100984511 OQGWQARZWCACGS-UHFFFAOYSA-N 339.479 5.138 30 40 EKEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 101697262 LMONJZBWBMMZPU-UCQKPKSFSA-N 332.447 5.470 30 40 EKEB Oc1ccc(/C=N\c2cc3c4ccccc4ccc3c3ccccc23)cc1 104131338 IUSHYZSYYSOCDX-QQXSKIMKSA-N 347.417 6.602 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3cccc(CO)c3)ccc21 282451 CHLWQZNKBIPHBR-OEAKJJBVSA-N 328.415 5.057 30 40 EKEB C=C(C)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 1471281 TYYYAWYDSFQELN-UHFFFAOYSA-N 328.415 5.345 30 40 EKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)c1 5176003 TVAAAWAMLBLPJR-MTJSOVHGSA-N 346.382 5.092 30 40 EKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1 5542266 XVPRTBUHFUOHRT-BUVRLJJBSA-N 345.442 5.642 30 40 EKEB CCCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 8453858 XDWACXPYNJBVDN-UHFFFAOYSA-N 342.571 5.866 30 40 EKEB O/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 11861136 GMXMDIKLVFGJTO-OEAKJJBVSA-N 327.383 5.380 30 40 EKEB N#Cc1ccc(OCc2cccc3ccccc23)c(Br)c1 11960306 KNJYQRWGGRPYRK-UHFFFAOYSA-N 338.204 5.053 30 40 EKEB Cc1cc(Br)c(O)c(/C=N/c2cc(Cl)ccc2C)c1 100383379 AUPDMYNLYPJLII-QGMBQPNBSA-N 338.632 5.176 30 40 EKEB CCCCCCCCN(C)/N=N\c1ccc(Cl)cc1C(=O)O 104154947 UPTQBUMDQJGNOB-HNENSFHCSA-N 325.840 5.329 30 40 EKEB O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1cccs1 4247884 ZIEGDSIOWFYNHA-VQHVLOKHSA-N 337.425 5.514 30 40 EKEB O=C(/C(=C/c1ccccn1)c1ccc2ccccc2n1)c1ccccc1 5572000 OYABSURESJZROB-CAPFRKAQSA-N 336.394 5.053 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1Cl 6962176 IYAIRHAWWBYATN-CIAFOILYSA-N 348.229 5.155 30 40 EKEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 7449835 YMNMCHYRSSQMOF-IBGZPJMESA-N 341.863 5.606 30 40 EKEB CCC(C)(C)/N=C(\O)CSc1nc(C)c(C)n1C1CCCCC1 10870326 JUMFRVVJECIOIK-UHFFFAOYSA-N 337.533 5.242 30 40 EKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 12862114 DJNKUMIVUMNAKB-XKZIYDEJSA-N 348.442 5.771 30 40 EKEB biogenic Oc1c(Cl)cc(Cl)cc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1 18121753 SSLZZBFLKKIIFH-IBHNMFLHSA-N 347.205 5.029 30 40 EKEB CCCCCCCCCCCCCCCCC1Cc2ccccc2C1 100306800 QRMLVRAWZSZLKS-UHFFFAOYSA-N 342.611 8.273 30 40 EKEB CCCCCCCCOc1ccc(NC(=O)c2ccccc2O)cc1 103753342 MRAMYAYMPXJJFM-UHFFFAOYSA-N 341.451 5.384 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3cccc(C)c3)c2c1 408781438 SJHKOPAHYGGIIE-BUVRLJJBSA-N 340.426 5.903 30 40 EKEB N#Cc1ccc(-c2ccc(/N=N/c3ccc4ccccc4c3O)cc2)cc1 4813936 FLWHHTYEZKELCS-OCEACIFDSA-N 349.393 6.499 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)cc1 408767351 ZPJHORGHRNUWHN-UCQKPKSFSA-N 336.866 6.061 30 40 EKEB COc1ccc2c(c1)CC/C(=C\c1ccc(Cl)cc1Cl)C2=O 4709580 XKAFOAJDVIJIIV-MDWZMJQESA-N 333.214 5.215 30 40 EKEB C#CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C 8277699 RFVMZFZZTOUPAG-OEAKJJBVSA-N 333.818 5.564 30 40 EKEB Cc1cc(Cl)cc(Cl)c1O/C=C/C(=O)c1ccc(F)cc1 16269634 CBVAMERRVKDRFF-VOTSOKGWSA-N 325.166 5.216 30 40 EKEB O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc2ccccc2c1 33378788 GGKNXMWOJXCHDV-KHPPLWFESA-N 327.210 6.043 30 40 EKEB CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC 100061933 SITULKFUBJXOJH-UHFFFAOYSA-N 342.520 5.574 30 40 EKEB Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1 101007507 FLNVWIKRXYKORZ-BIDSZKBNSA-N 339.479 5.170 30 40 EKEB CCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl 104367806 LFBVFMYQESVNJY-UHFFFAOYSA-N 331.711 5.821 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 137486446 BDYBODUBXLJIQU-CSUZIONRSA-N 332.447 5.750 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(C)C)cc2)c1C 408965871 JMQGAQBLYJTNDI-PCLIKHOPSA-N 344.502 6.531 30 40 EKEB N#CC[C@@H](C#N)c1c(-c2ccccc2)cn2c1sc1ccccc12 386636 KBJOOCPSDIDBSD-HNNXBMFYSA-N 327.412 5.342 30 40 EKEB CCC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1482194 LZSOOHLAZHOTHJ-VEYVBMQYSA-N 330.512 5.050 30 40 EKEB biogenic C=CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OCC 6959805 IFDPNQNHANORJA-FYJGNVAPSA-N 329.827 5.363 30 40 EKEB O/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 33785574 CFRAKHMKYRWUSO-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(OC(F)(F)F)cc2)c1 44844568 SIHXIGGSYJKGNH-MDZDMXLPSA-N 335.325 5.011 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3O)c2C#N)C1 409083074 UPWTYEMBKKXAPT-OFJBCHTGSA-N 338.476 5.227 30 40 EKEB C=C(C)CCC[C@@H](C)CCN(/N=C/c1ccccc1)c1ccccc1 4266402 GJDPFZURUFCRKQ-QBHDBVHESA-N 334.507 6.300 30 40 EKEB C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 6295374 WEFITPJCSLDYBM-HAVVHWLPSA-N 327.383 5.242 30 40 EKEB CCN1/C(=C/C=C2\CCc3ccccc3C2=O)C=Cc2ccccc21 36294023 OKSGZNOCNODWPP-XHGFWWIISA-N 327.427 5.179 30 40 EKEB Clc1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)c(Cl)c1 58822528 OPDNRJOMCUNAGN-RGVLZGJSSA-N 331.202 5.699 30 40 EKEB Cc1s/c(=N\N=C\c2ccc(C(C)C)cc2)[nH]c1-c1ccccc1 59193892 JAEYJLYBEWNJNQ-FYJGNVAPSA-N 335.476 5.110 30 40 EKEB O/C(=C\C=N\c1cccc(Cl)c1)c1ccc(Br)cc1 100029058 SJNXAHLIPTTYGY-KNYYAHOCSA-N 336.616 5.404 30 40 EKEB CCCCCCCCCCCCS/C(N)=N\C[C@H]1CCCO1 100167421 HQVGLGQOHSPRIE-QGZVFWFLSA-N 328.566 5.134 30 40 EKEB Cc1cccc(-n2nc(C)cc2/N=C/c2cccc(Cl)c2Cl)c1 100922466 FPOWBFUAUINXIV-SRZZPIQSSA-N 344.245 5.547 30 40 EKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4ccco4)cc3)[C@H]2C1 408936488 KLLFQFVYOQJMJJ-QLJSOMRTSA-N 340.426 5.857 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 409212460 QGTPLPOVHKKJBP-IWIPYMOSSA-N 349.861 6.232 30 40 EKEB Clc1ccccc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 1781135 UXKLSSXVLNQHBX-LPYMAVHISA-N 348.858 6.367 30 40 EKEB C=CCNc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 3104495 YHZFOYMQOGHRHH-UHFFFAOYSA-N 333.460 5.034 30 40 EKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 4747133 HXCUOMWEFYLIDI-SZNDQCEHSA-N 335.472 5.507 30 40 EKEB Oc1ccccc1/C=N/Nc1nc(-c2ccc3ccccc3c2)cs1 6244338 YPIHNQNVKHTXOT-CIAFOILYSA-N 345.427 5.115 30 40 EKEB O=C(O/N=C1\CCCC\C1=C\c1ccccc1)c1ccc(Cl)cc1 8656134 RVMAFJBKFCVPEA-KGJFVNAZSA-N 339.822 5.510 30 40 EKEB N#Cc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 18191761 XCLRGLUOQDKDEH-CYYJNZCTSA-N 349.397 6.031 30 40 EKEB Oc1c(/C=N/c2ccc(Oc3ccccc3)cc2)ccc2ccccc12 32101631 FBDYQLDIFTXMEX-LFVJCYFKSA-N 339.394 6.088 30 40 EKEB CC[C@H](C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 32647157 UDUWRBSHWKXDFO-LBPRGKRZSA-N 339.822 5.142 30 40 EKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 408604143 SYMIUOZXEIDGMR-HYARGMPZSA-N 338.476 5.428 30 40 EKEB C#CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl 408605875 HABHCUGYCUWAAS-UHFFFAOYSA-N 340.637 5.271 30 40 EKEB Cc1ccc(-c2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 1398703 GWLSGUQMUZZCES-UHFFFAOYSA-N 344.361 5.676 30 40 EKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(C#Cc2ccccc2)cc1 4460278 LQGOIUHMTUFSBP-XQNSMLJCSA-N 340.382 5.054 30 40 EKEB Cc1ccc(N/C(S)=N\[C@H]2CCSc3ccccc32)cc1C 5225387 ARPHMXMCCZACNG-INIZCTEOSA-N 328.506 5.238 30 40 EKEB FC(F)(F)c1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 14257467 NVHRNHCGUCGVLA-UFFVCSGVSA-N 347.365 5.275 30 40 EKEB CCCCCCCCCNc1ncnc2c1[nH]c1ccc(F)cc12 97954109 YEXSTYMOYAMSMI-UHFFFAOYSA-N 328.435 5.413 30 40 EKEB N#Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 216849078 GJUFWZTWYQTVCK-UHFFFAOYSA-N 330.573 5.237 30 40 EKEB CCOc1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 408734366 YUSOLWPSPYOILZ-BUVRLJJBSA-N 342.442 5.356 30 40 EKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(C)c1 408740443 KRUIEHFEYHMADJ-OYKKKHCWSA-N 330.475 6.078 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cc(C)ccc2C)c1C 408960593 NBTFVTWYLRRFRD-MYYYXRDXSA-N 344.502 6.332 30 40 EKEB CCc1cccc2c(C#N)cn(Cc3ccc(Cl)c(Cl)c3)c12 409202372 RRAIINLJWHINAT-UHFFFAOYSA-N 329.230 5.430 30 40 EKEB CC(C)(C)c1ccc([C@@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1 411820 FKFWFOUFGAPENS-HXUWFJFHSA-N 330.431 5.004 30 40 EKEB CCSc1nc2c(c(-c3cccs3)c1C#N)-c1ccccc1C2=O 4648836 AJDPIYHHUGSUCU-UHFFFAOYSA-N 348.452 5.005 30 40 EKEB CC/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(F)cc1 4871845 WFYGBRCWWIABMC-RELWKKBWSA-N 343.471 5.050 30 40 EKEB CCCCOc1ccc(/C=C2/CCOc3ccc(C)cc3C2=O)cc1 96792702 DVNUZKCHHIDQHL-SDXDJHTJSA-N 336.431 5.223 30 40 EKEB Cc1ccc([C@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1 101007506 FLNVWIKRXYKORZ-PGJCHXKPSA-N 339.479 5.170 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(Cl)c1C 409220954 IITNPPRPDUFKIH-HYARGMPZSA-N 342.870 5.398 30 40 EKEB O=C1/C(=C\c2ccccc2Cl)[C@H](c2ccccc2)Oc2ccccc21 135095 WIBPUZAXVOPNDF-RRXSNJIPSA-N 346.813 5.740 30 40 EKEB C=CCOc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2266528 PNSMILYONYYMNF-UHFFFAOYSA-N 331.202 5.168 30 40 EKEB CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5186322 BMHQLYJCEGUNNX-SXGWCWSVSA-N 335.186 5.008 30 40 EKEB C=CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 6855840 UKSWHGDLELNEFF-UHFFFAOYSA-N 337.850 5.348 30 40 EKEB O=C(/C=C\c1cccs1)c1ccc(C#CCC2CCCCC2)s1 33376404 TYOGGFOGRQPGBB-QBFSEMIESA-N 340.513 6.028 30 40 EKEB Cc1c(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)oc2ccccc12 84068134 IQOIGRXMCZAZJA-VAWYXSNFSA-N 340.382 5.094 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(F)c(Cl)c1 101470971 UDZGYLMCXTVXOF-UHFFFAOYSA-N 340.910 7.363 30 40 EKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(Cl)cc1 102422540 WNFIRQCRBLWPAM-REZTVBANSA-N 345.023 5.212 30 40 EKEB Cc1ccc2nc(/N=C/c3ccc(Br)cc3)sc2c1 50178 YLPULJUXZRJKOS-RQZCQDPDSA-N 331.238 5.118 30 40 EKEB Cc1cc(NN=C2CCC(c3ccccc3)CC2)nc2ccccc12 6330587 FHEYAUJCGUXIHN-UHFFFAOYSA-N 329.447 5.669 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 6959778 GEGQZRVLRGPBCW-LPYMAVHISA-N 343.854 5.671 30 40 EKEB CCCCCCCCCCCCc1ccc2ccc(C)nc2c1O 100935867 BHWWGVDLAQGFOR-UHFFFAOYSA-N 327.512 6.712 30 40 EKEB Cc1ccc2nc(-c3cccc(/N=C/c4ccccc4O)c3)oc2c1 3096673 LXUKXHTYDABACE-LPYMAVHISA-N 328.371 5.259 30 40 EKEB CCOc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 6617816 CXLWDPXHSSIRBV-WUKNDPDISA-N 328.411 5.648 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OCC 6880730 IAYJSSGHFNHKRV-FYJGNVAPSA-N 331.843 5.587 30 40 EKEB Cc1ccccc1NC(=NCc1ccccc1)Nc1ccccc1C 6913017 NJIQQTWJOYTWJO-UHFFFAOYSA-N 329.447 5.384 30 40 EKEB CCCCCOc1ccc(C=Nc2ccc(C(=O)OCC)cc2)cc1 256090897 ZQZICUICLNBRNL-UHFFFAOYSA-N 339.435 5.183 30 40 EKEB CCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCC 100070358 HTQZCKRWTXLIED-UHFFFAOYSA-N 328.561 5.327 30 40 EKEB Cc1ccc(COc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc1 408692187 GRZKJVFBUVILHI-NTCAYCPXSA-N 342.438 5.779 30 40 EKEB CCCSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N 3637075 PIHNTHGTWBYZJN-UHFFFAOYSA-N 340.345 5.280 30 40 EKEB CCCCCCC(=C/c1ccccc1)/C=N/N=C\c1ccccc1O 5030462 UJUCPIUMNCWTEH-POVNFZEGSA-N 334.463 5.851 30 40 EKEB Clc1ccc(N/N=C/c2cccc(Cl)c2Cl)cc1Cl 5445303 UJNSWCJUXLNUAU-CNHKJKLMSA-N 334.033 5.746 30 40 EKEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)CC2 6683647 XMSAZCDKGKOPAH-ZROIWOOFSA-N 341.794 5.078 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCOC[C@@H](O)CO 8437483 NRWMBHYHFFGEEC-YUQDSPFASA-N 342.564 5.394 30 40 EKEB in-vitro O=C(/C=C\c1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 17023040 RJGYJZHKLBNGTH-RRRYKUETSA-N 337.290 6.182 30 40 EKEB COc1cc(Cl)c(C)cc1N/C=C/C(=O)c1ccc(C(C)C)cc1 51318734 QWMKYWFEKJSIQG-MDZDMXLPSA-N 343.854 5.589 30 40 EKEB O=C1/C(=C\c2ccc(F)cc2)c2ccccc2/C1=C\c1ccc(F)cc1 102965069 KYXLZZSYWPELOU-VOKWCDJLSA-N 344.360 5.629 30 40 EKEB N#Cc1c(N=Cc2cccc(Br)c2)sc2c1CCCC2 245229317 UEMKXMIZTLGMCW-UHFFFAOYSA-N 345.265 5.012 30 40 EKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 541932 NPAHKEQYSHECNT-UHFFFAOYSA-N 344.462 5.141 30 40 EKEB CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1727179 QIXYIBIIMNDKCW-SLZMIMFISA-N 342.310 5.334 30 40 EKEB COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1 4014240 CDWXQQCOZHDTJF-JLHYYAGUSA-N 335.428 5.023 30 40 EKEB CCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCC 79629205 PVUKABGVNSMFFQ-UHFFFAOYSA-N 330.259 5.840 30 40 EKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1 100116731 UMGIXOMWAYRSHK-JLPGSUDCSA-N 330.475 6.142 30 40 EKEB CCCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O 100935828 KTGKHRSYLCUUEY-UHFFFAOYSA-N 327.468 5.962 30 40 EKEB CCN1c2cc(C)c(/C=N\c3ccccc3O)cc2C(C)=CC1(C)C 223500104 ZUUHOQIJTCKIBJ-UCQKPKSFSA-N 334.463 5.473 30 40 EKEB C=CCOc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224974976 PVYTUGKIWSBOHI-UHFFFAOYSA-N 343.426 5.100 30 40 EKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 408736629 XXQFNCTZPLGLHN-GJYPPUQNSA-N 336.822 5.069 30 40 EKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408737298 BJJNWNIXNSHBCG-HZHRSRAPSA-N 346.430 5.021 30 40 EKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1 408737611 FPGWWCWUMXTEPI-MFKUBSTISA-N 348.465 6.281 30 40 EKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408767587 MVJZILJVIAAQEY-YDZHTSKRSA-N 334.394 5.186 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(OC)nc2)c1C 408960803 OEYYQAYJSNQZLQ-QRVIBDJDSA-N 347.462 5.119 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3O)c2C#N)C1 409083070 UPWTYEMBKKXAPT-LVCXCXRVSA-N 338.476 5.227 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OC 409375737 OPEIKQWFZWTOCR-OMBDHMDGSA-N 331.843 5.585 30 40 EKEB CC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 58972 ABOZFKFLZRTOEK-HZHRSRAPSA-N 329.399 5.219 30 40 EKEB CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)cc1Cl 1727173 CPWGZKHMPCLWFI-GDXASINISA-N 342.310 5.334 30 40 EKEB CCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 2023643 LAFXFMCHGBGBDD-CQSZACIVSA-N 328.452 5.136 30 40 EKEB biogenic CSc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)cc1 3229241 MVAFYSJCSUIKCN-CJLVFECKSA-N 330.456 5.280 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl 6880668 OMLNTHHSBUPHTF-SRZZPIQSSA-N 336.262 6.150 30 40 EKEB CCCOc1ccc(/C=N/c2ccccc2C)cc1Br 6941761 LBUUQSWRUXHCRK-XDHOZWIPSA-N 332.241 5.297 30 40 EKEB CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C/CCCC(=O)OC 15159798 DHUPCTVGLDZJCY-HSAUYNDVSA-N 334.500 5.516 30 40 EKEB Cc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccc(C)cc2)cc1 32609557 XTQPFCZZNPKLRL-VOZFUJEASA-N 340.422 5.703 30 40 EKEB O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)CCO2 32888154 CRSNUSUVHLADPO-PKNBQFBNSA-N 342.394 5.310 30 40 EKEB Cc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461372 BQDOLZDFJFHQQL-YZJQUUSSSA-N 336.416 5.185 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)cc3)cc21 198084806 ZHRCJIKMHFOALW-ZXCVBSDHSA-N 344.861 5.952 30 40 EKEB c1ccc(N=C(c2ccccc2)N(c2ccccc2)c2ccccc2)cc1 254384478 AVDXZUYBWDVWPG-UHFFFAOYSA-N 348.449 6.603 30 40 EKEB C[C@@H](Nc1oc(-c2cccc3ccccc23)nc1C#N)c1ccccc1 533694 KTPDHUULAINYQD-OAHLLOKOSA-N 339.398 5.540 30 40 EKEB CN(c1ccc(/C=N/C[C@H]2CCCO2)cc1)c1cccc2ccccc12 3216648 KMDQQGYCGTZUCM-KCOUNZPASA-N 344.458 5.206 30 40 EKEB CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 62238198 CPLYLXYEVLGWFJ-IBGZPJMESA-N 328.537 6.084 30 40 EKEB in-vitro Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCCC1 100314385 OBRPTBMTKGIPQL-RGVLZGJSSA-N 335.234 5.050 30 40 EKEB CCCCCCCCCCCCCCCC(=O)N(O)c1ccccc1 70665765 WGMPVZJEXPNBCF-UHFFFAOYSA-N 347.543 6.890 30 40 EKEB biogenic Cc1cc(C)cc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)c1 100116684 SNPVJXHIVVLJCF-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB N#Cc1cn(C(=O)c2cccc3c(Cl)cccc23)c2ccccc12 226361501 WBBIJRNNFOUCAF-UHFFFAOYSA-N 330.774 5.008 30 40 EKEB Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409236846 GGWNOXHRHJDHPA-MYYYXRDXSA-N 342.417 5.888 30 40 EKEB N#Cc1c(NCSCc2ccccc2)sc2c1CCCCC2 3667252 SHWTYRZNWQDFRP-UHFFFAOYSA-N 328.506 5.191 30 40 EKEB Clc1ccc(-c2sc(N/N=C/c3ccccn3)cc2Cl)cc1 4159455 MNKCOJFEOKNTSI-KEBDBYFISA-N 348.258 5.563 30 40 EKEB O=C(/C=C/c1ccc(Br)cc1)c1cc2ccccc2o1 6049063 MLFBRYLZEOMJPS-JXMROGBWSA-N 327.177 5.091 30 40 EKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 6962618 JEZOFKYILQLVQS-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB Cc1cccc2cc(/C=C/C(=O)c3ccc(F)cc3)c(Cl)nc12 95116641 MXWJBRKEXHVLQQ-JXMROGBWSA-N 325.770 5.232 30 40 EKEB CCCCCCCCCCCCCCCCCCCCCCN 100308738 VPNOHCYAOXWMAR-UHFFFAOYSA-N 325.625 7.767 30 40 EKEB N#C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 5581714 NSTPNFTWKQYQIY-AWEZNQCLSA-N 344.258 5.401 30 40 EKEB Cc1ccc(/N=C/c2ccc3ncccc3c2)c(Br)c1 12599976 NPHDTJMXANHSML-RGVLZGJSSA-N 325.209 5.056 30 40 EKEB CC(=N\Nc1ccc(Cl)cc1)/C(C)=N/Nc1ccc(Cl)cc1 101160338 ZQXISFALCRXYPT-AYKLPDECSA-N 335.238 5.269 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(C)c1 409110318 BOZCLZGVTNXANP-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB Cc1ccc(-c2csc3ncnc(Oc4ccccc4C#N)c23)cc1 8177774 FIZQOJIUSLBWTF-UHFFFAOYSA-N 343.411 5.331 30 40 EKEB CCCCCCCCCCOC(=O)Nc1ccc(OC(=O)CC)cc1 98002561 LYIGODUWOPZXTC-UHFFFAOYSA-N 349.471 5.691 30 40 EKEB O/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 100468479 FHDWSVQSQBYXJC-HZHRSRAPSA-N 345.446 5.395 30 40 EKEB O=C1c2ccccc2[C@@]2(c3ccccc3)O[C@]12c1cccc2ccccc12 100710373 CNCXDAYVPAKAQI-JWQCQUIFSA-N 348.401 5.205 30 40 EKEB N#Cc1ccc2c(ccn2C(=O)c2cccc3c(Cl)cccc23)c1 216961385 YITZLLCNWWXVDN-UHFFFAOYSA-N 330.774 5.008 30 40 EKEB Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409019713 WTODCYZTLZELAG-RGVLZGJSSA-N 347.867 6.442 30 40 EKEB C=CCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC 4659274 YMZXVZBZVLSFCV-UHFFFAOYSA-N 331.456 5.109 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OCC 6959305 RYRFIJDKBQIATN-LPYMAVHISA-N 341.838 5.118 30 40 EKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc2c(c1)CCC2 17143516 CIEQTVXCUXGIQZ-HZHRSRAPSA-N 347.487 5.443 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCC 409111761 DVLPHPYJYQNBMA-UHFFFAOYSA-N 345.870 5.396 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl 6880705 MQTILEZNNBBKOL-SRZZPIQSSA-N 336.262 6.150 30 40 EKEB O=C(/C=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccco1 96401700 KBBASURMHADHNW-CPNJWEJPSA-N 340.831 5.949 30 40 EKEB CCCCCCCCCCCC(=O)c1c(O)ccc2ccccc12 100071414 LGQPEUSEBNFGEC-UHFFFAOYSA-N 326.480 6.649 30 40 EKEB CC(C)CC[C@]1(CC/N=C/c2ccccc2)CCO[C@H](C(C)C)C1 100759562 JAPHEBBQVFDOLP-DSBNWKJFSA-N 329.528 5.753 30 40 EKEB biogenic C=CCOC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 216941618 JREWRLYIXMCPJX-UHFFFAOYSA-N 339.394 5.398 30 40 EKEB CC(C)(c1ccccc1)c1ccc2c(c1)C=CC(=O)C2(Cl)Cl 253473806 YRVZTGULVHSALF-UHFFFAOYSA-N 331.242 5.239 30 40 EKEB CCCCCCCCCCSCN1C(=O)c2ccccc2C1=O 1672788 KQZQUMPBZXFAAT-UHFFFAOYSA-N 333.497 5.114 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)c1 8368256 YQRCIBWCQSGGDF-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB O/N=C(/c1cc2cc3ccccc3nc2s1)c1ccccc1Cl 100925339 HKZXMYUDCCOVGS-HEHNFIMWSA-N 338.819 5.330 30 40 EKEB CCOc1ccc2ccccc2c1/C=N/c1ccc2ccccc2c1 101667602 ZJKWNWRJYXCGRU-LFVJCYFKSA-N 325.411 6.142 30 40 EKEB CCCCCCCNCc1cccc(OCc2ccc(F)cc2)c1 102568220 SFYDZARKFWLIEA-UHFFFAOYSA-N 329.459 5.465 30 40 EKEB CCCCCCC[C@@H]1C[C@H](OCC)O[C@H](CCCCCCC)O1 104338424 XPYMDCBCTBGJKN-VAMGGRTRSA-N 328.537 6.202 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 137486368 BDYBODUBXLJIQU-BXDFRRGMSA-N 332.447 5.750 30 40 EKEB CCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 2377069 ONCHVFUGCDWDHN-UHFFFAOYSA-N 345.490 6.407 30 40 EKEB CC(C)(C)C1CCC(=NNc2ccnc3cc(Cl)ccc23)CC1 4863639 TUNBPYGJWDCIDN-UHFFFAOYSA-N 329.875 5.892 30 40 EKEB CCOc1ccc2nc(/N=C/c3c(O)ccc4ccccc34)sc2c1 101667564 QTXVWUCYQWZHIK-CIAFOILYSA-N 348.427 5.304 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2[C@@H](C)CC1(C)C 198099325 ONZWYFZWZWTUJF-WORIPGKHSA-N 334.507 6.166 30 40 EKEB CCCCCCCOc1ccccc1/C=N/Nc1nc(C)cs1 409074552 VIDQUFOHSCSSOB-CPNJWEJPSA-N 331.485 5.247 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)c(C)c1 409210881 HJRVMKWEAJTFOG-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB COc1cccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1 5720958 OTYZDPUDSTUQIJ-CCEZHUSRSA-N 344.410 5.170 30 40 EKEB COc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1O 20242120 DMYSIUJYMAYEKP-HYARGMPZSA-N 349.455 5.444 30 40 EKEB O=C(/C=C/c1ccccc1O)c1ccc(Sc2ccccc2)cc1 51330030 PNYPUYRPJXXWPM-NTCAYCPXSA-N 332.424 5.440 30 40 EKEB Fc1ccc(F)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1 66091313 PDQOKBVQSPHJIO-KPSZGOFPSA-N 335.568 5.371 30 40 EKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1O 409116788 MNNQFHLCUXXEFM-UHFFFAOYSA-N 331.843 5.093 30 40 EKEB CSc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 46088 QKCJCPXWAUIWFD-RQZCQDPDSA-N 340.673 5.575 30 40 EKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C#N)C1 485047 IXBBUWGNUHTEJP-LBPRGKRZSA-N 332.513 5.145 30 40 EKEB C=CCn1c(COc2ccc3ccccc3c2Cl)nc2ccccc21 1470603 GUSDGYYOCRFGSS-UHFFFAOYSA-N 348.833 5.608 30 40 EKEB Cc1ccc(/C=N/Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 5234211 CWMXVMMSMFIANC-LPYMAVHISA-N 343.455 5.718 30 40 EKEB CCCCC1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1 80053437 UEWUXXCQZUSEKF-UHFFFAOYSA-N 330.515 6.859 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(OC)cc3)c2C)cc1 408761308 IGDKOONHDVMEFM-HAHDFKILSA-N 332.447 5.416 30 40 EKEB Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCCCC#N 1601485 BWZFHHNGFBFRGC-UHFFFAOYSA-N 341.458 6.044 30 40 EKEB N#C[C@@H](c1ccccc1)[C@@H](C/C(=N\O)c1ccccc1)c1ccccc1 6575706 LENXMXZDEOPCNP-BGWGKYIPSA-N 340.426 5.346 30 40 EKEB Cc1cccc(-c2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)c1 8656897 VRQNYOBONOAHHI-UHFFFAOYSA-N 337.426 5.213 30 40 EKEB CC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 59483047 LIFQVCGPFPCGSQ-LTGZKZEYSA-N 341.867 5.690 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4sccc4C)cc3)sc2c1 96034 MJSKROBXLRJGLF-CIAFOILYSA-N 348.496 6.392 30 40 EKEB Clc1ccc2c(N/N=C/c3cccc4ccccc34)ccnc2c1 5673492 CDWACCGKXAXGCW-YDZHTSKRSA-N 331.806 5.487 30 40 EKEB N#Cc1ccc(/C=C\c2ccc(/C=C\c3ccccc3C#N)cc2)cc1 71603423 OQVQNTRMZCGXIB-NCCHCWSYSA-N 332.406 5.771 30 40 EKEB C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(=O)O 95913725 JSVFSMMYZKBYGK-JVRYAFQOSA-N 344.495 5.165 30 40 EKEB biogenic,in-vitro CCCCCCCCNC(=O)CCCC(=O)CCCCCCC 98043295 VZDPFXHWDIXVKD-UHFFFAOYSA-N 325.537 5.563 30 40 EKEB CCCCCCCCCCCCOc1ccccc1C1=NCCN1 100933933 MUBDZSYHHCLHEA-UHFFFAOYSA-N 330.516 5.336 30 40 EKEB Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)[C@@H](C)CC(C)(C)N2C 223571900 FKKMQSGDSFUKIR-HZRSJKMUSA-N 349.522 5.534 30 40 EKEB CO[C@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 5707469 MPUDTZVWARYYCZ-MJCUULBUSA-N 345.527 5.287 30 40 EKEB C=CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OCC 6439556 LKKWMXDWGSDXNK-UHFFFAOYSA-N 347.414 5.056 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1 8368118 MWRDHCZDRZFQLU-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(C)cc1 67299904 RCBKJRZCRCVRJL-FYWRMAATSA-N 336.818 6.195 30 40 EKEB CCCCCCCCCCP(=O)(OCCCC)OCCCC 95705108 MBCXIKUNYKOIOD-UHFFFAOYSA-N 334.481 6.954 30 40 EKEB CCCCCCCCCCCCOc1ccc(/C(CC)=N/O)c(O)c1 100930243 ZQMDDODZWFEAQA-LSDHQDQOSA-N 349.515 6.280 30 40 EKEB CCCCCCCCCCCCCCCC[n+]1cccc(C#N)c1 104177680 WNEVKWQVTKCPDI-UHFFFAOYSA-N 329.552 6.327 30 40 EKEB CCCCCC/C=C/[C@H]1[C@H]2C[C@@H](N=N2)[C@@H]1C/C=C/CCCC(=O)O 504685751 SRIZDZJPKIYUPZ-NLENZDKPSA-N 332.488 5.553 30 40 EKEB O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1Cl 4280521 NGJNCPUDHJBUDA-AATRIKPKSA-N 327.594 5.249 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3C)c2C)c1 5533097 JWJSIJFOHWELAT-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB CCCCCCCCCCCCCCCCN1CCCCCC1=O 100309844 LYQYWEFFQIZYDP-UHFFFAOYSA-N 337.592 6.870 30 40 EKEB CCCCCCCCCOc1ccc(/C=N\c2ccc(C)cc2)cc1 104149518 FVQUWCQPENLSTL-CLCOLTQESA-N 337.507 6.875 30 40 EKEB Clc1cc2c(cc1/C=N/c1ccc3c4c(cccc14)CC3)OCO2 3136704 WOHMGQXWAXJTQM-LSHDLFTRSA-N 335.790 5.071 30 40 EKEB C/C(=N\Nc1nncc2ccccc12)c1cccc(-c2ccccc2)c1 98055559 GZGCERFTVFTNQT-LFVJCYFKSA-N 338.414 5.133 30 40 EKEB Cc1ccc(-c2csc(N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)n2)cc1 100929980 SJVCVARTRNUBQA-CUYHYWQJSA-N 339.508 5.733 30 40 EKEB CC(/C=C1\S/C(=N/c2cccc(C)c2C)NC1=O)=C\c1ccccc1 5024434 UFSNEYYOAOEWOZ-VAWAYFNOSA-N 348.471 5.141 30 40 EKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC 6959691 JNDRXCTYBRHIJL-CIAFOILYSA-N 331.843 5.505 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 8084998 YNFHYKLBUCUEJM-BUVRLJJBSA-N 333.406 5.718 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=C3\Sc4ccccc4C3=O)c2C)cc1 12462102 OGWSTUMFRRURLP-BKUYFWCQSA-N 345.467 5.732 30 40 EKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccccc1Cl 100840999 ZYTGZTFHIIKMAW-ZZEZOPTASA-N 326.852 5.288 30 40 EKEB CCCCCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 102560812 SHQOTXAJDSQLQZ-UHFFFAOYSA-N 340.294 6.313 30 40 EKEB Cc1ccccc1/N=C1/c2ccccc2/C(=N/c2ccccc2C)N1C 103990532 VEXAFTXAMHVGTD-HKOLQMFGSA-N 339.442 5.405 30 40 EKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\c2ccccc2Cl)o1 408960971 KNNYPHHWRGOQTO-NHDPSOOVSA-N 339.778 5.357 30 40 EKEB COc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br 409217299 BFNWEFQQDVGMPQ-GIJQJNRQSA-N 338.632 5.170 30 40 EKEB C=C(C)CSc1nnc(SCc2cccc3ccccc23)s1 28533 OGXMOMLNTQLIQL-UHFFFAOYSA-N 344.530 5.652 30 40 EKEB CN(C)/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3189478 RXXHJCCQGJMEQZ-JJIBRWJFSA-N 339.442 5.193 30 40 EKEB C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4963491 WAXZERYFXCBCDH-VJFDXUIRSA-N 340.507 5.249 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c(C)c1 8368821 RUOGKTIAKFOAER-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1cc2c(cc1C)N[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 18142529 ROWXQQNBXKOVQS-JOCHJYFZSA-N 346.474 5.525 30 40 EKEB CCCCc1ccc(/N=C/c2cc(Br)c(N(C)C)o2)cc1 59104157 YCKKVLHPOPYSBT-XDHOZWIPSA-N 349.272 5.201 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)C2 100006270 AOWSCJKKFKCUOW-WOAKVDTOSA-N 347.458 5.713 30 40 EKEB C=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925481 DPCZMRQCEHNJJR-LLTZGFESSA-N 328.496 5.437 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl 409009389 FDCVWMPJWDKOLW-XHEYCZLTSA-N 332.787 5.176 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C 409211735 MWSGTXMSOVIECG-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330455 NSXNJKSTXCFDRM-NXVVXOECSA-N 342.436 7.831 30 40 EKEB O=C1/C(=C\c2ccccc2Cl)CCC/C1=C\c1ccccc1Cl 2074879 QLOHWWSWUAXAGS-RFTYBOQRSA-N 343.253 6.213 30 40 EKEB CN1[C@@H](c2ccccc2)CC(=Nc2ccccc2)C[C@@H]1c1ccccc1 73242592 UVHKUWLZFPTNRD-DNQXCXABSA-N 340.470 5.967 30 40 EKEB CN1/C(=C\C=C\C=N\c2ccccc2)Sc2ccc3ccccc3c21 100933003 XQWGKVSGINWSRC-KZUSBMALSA-N 342.467 6.182 30 40 EKEB COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1OC(C)C 409009795 IDXONJCFNJKVCK-JMIUGGIZSA-N 338.234 5.540 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/Cc1ccccc1 409085451 SGBQYXOLEUEYGP-PCLIKHOPSA-N 345.486 5.479 30 40 EKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 409202289 QUHKFWSPGZTBOR-BUVRLJJBSA-N 345.442 5.642 30 40 EKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc(Cl)c2O)c1 6396806 KBMDHKJKPIGGLW-CIAFOILYSA-N 344.842 5.233 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(C)ccc2F)cc1 44843321 UOPBAYPMXAIBPP-VAWYXSNFSA-N 327.399 5.122 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 100502933 IQQJZKBEWZMAQU-LPYMAVHISA-N 328.371 5.259 30 40 EKEB CCCCCCCCOc1ccc(/C=C/C(=O)N2CCCCC2)cc1 100546706 UPTABKZGZAJUMV-DTQAZKPQSA-N 343.511 5.452 30 40 EKEB Cc1ccc2c(c1)-c1nc3c(C)cccc3cc1/C2=N/c1ccccc1 100671305 GBPUNSGNORHINF-WJTDDFOZSA-N 334.422 6.001 30 40 EKEB CC(C)c1ccc(N/C=C/C(=O)c2cccc(Br)c2)cc1 409061805 IJSKWEOJDCBNEM-ZHACJKMWSA-N 344.252 5.381 30 40 EKEB N#Cc1ccccc1/N=C1\CCCN1c1ccc(Cl)c(Cl)c1 354312 GHIUPFAKCFDHRM-HEHNFIMWSA-N 330.218 5.195 30 40 EKEB CCCCCCCC[C@]1(CCC)NC(=S)N(c2ccccc2)N1 2310581 SVFWQBVHZNPQQO-LJQANCHMSA-N 333.545 5.133 30 40 EKEB CCCCCCCCC(=O)N[C@H](C)c1ccc2c(c1)Cc1ccccc1-2 3184319 CEDNUJDFKQCKRQ-GOSISDBHSA-N 349.518 6.186 30 40 EKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1cccs1 3233445 GVOISVPWNXMFDF-UDWIEESQSA-N 325.820 5.383 30 40 EKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 6962580 XBUTWJATCRCMIJ-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 16292635 JOVAFFUERFSCNX-UHFFFAOYSA-N 345.402 5.402 30 40 EKEB CCCCO/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1 17300611 RYFBMTLSFMYQKA-VHXPQNKSSA-N 344.458 6.329 30 40 EKEB C/C=C/C(=O)OCCCCCCCCCCCCCCCCCC 104071938 HBEOHRMPTRZKOK-LRNAUUFOSA-N 338.576 7.367 30 40 EKEB N#Cc1c(NCc2ccco2)sc2c1CCCCCCCCCC2 1763493 IUPIWDIRRBHULQ-UHFFFAOYSA-N 342.508 6.044 30 40 EKEB Cc1ccc2cc(C)c(N/N=C/c3ccc(Cl)cc3Cl)nc2c1 4834786 YWVXCUMVYJPNBB-UFFVCSGVSA-N 344.245 5.604 30 40 EKEB C=C1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 13408615 USISGGVIAQLXQF-ZXYIWLIBSA-N 330.512 5.517 30 40 EKEB CCCCCCCCCc1ccc(C#Cc2ccc(C#N)cn2)cc1 98044806 WJYLCXVAZYJWKP-UHFFFAOYSA-N 330.475 5.646 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(C(C)C)cc3)c2C)cc1C 408743035 YTFBHMCYECGBQI-MYYYXRDXSA-N 344.502 6.585 30 40 EKEB Cc1cccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1C 409211777 OEELURUWSRHJAY-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccccc1 68406 WOXUDYOBUJGEFY-CMDGGOBGSA-N 331.849 5.438 30 40 EKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1cccc2ccccc12 4933304 RBUSPJBFYXRMEV-NCELDCMTSA-N 336.438 6.402 30 40 EKEB FC(F)Oc1ccc(/C=N/CCC23CC4CC(CC(C4)C2)C3)cc1 5445552 REVBWEPVXINRGC-YDZHTSKRSA-N 333.422 5.313 30 40 EKEB O=C(/C=C\c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 5664999 PTMVSVXGAAECBG-UUASQNMZSA-N 329.355 5.158 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1Cl)c1cccc2ccccc12 16526199 SGGDRCAUMWMSGU-KHPPLWFESA-N 342.225 5.955 30 40 EKEB C/C(=N\c1sc2c(c1C#N)CCCC2)c1ccc(Cl)c(Cl)c1 101560324 NDWJXICPSHCCQY-UFFVCSGVSA-N 349.286 5.946 30 40 EKEB COc1ccccc1Oc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 409103814 WXEKVNJAXWZMNG-UHFFFAOYSA-N 337.419 5.172 30 40 EKEB O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccc(O)cc2)cc1 4460284 RHDZKJVFBUZJEL-OOUOEQNQSA-N 345.373 5.178 30 40 EKEB Cc1c(C)c(C)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1C 5212003 YMZVFNZLTSCXJG-VQHVLOKHSA-N 347.285 6.432 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(C)c1 8368807 DUYCWQRSUJYPAP-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)cc1 17087094 PFDBLPCLRKCJJO-FOCLMDBBSA-N 329.399 5.596 30 40 EKEB N#Cc1cc2c(nc1SCc1cccc(Cl)c1)CCCCC2 17440244 PCMKUYBVBRABFX-UHFFFAOYSA-N 328.868 5.168 30 40 EKEB CCCCCCCCCCCC[S@](=O)C[C@@H](O)c1ccccc1 33355508 JGFMVVKNYQLJOQ-NFBKMPQASA-N 338.557 5.390 30 40 EKEB CCCCCCCCCCCCCCP(=O)(OCC)OCC 100022568 CPWIYYOBPHXJIA-UHFFFAOYSA-N 334.481 6.954 30 40 EKEB CCCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 102191645 YZIQFVACKKEBCY-VHEBQXMUSA-N 346.518 6.957 30 40 EKEB N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccccc2)cc1 408595160 KVQBGSKHTIVDRV-HZHRSRAPSA-N 344.439 5.260 30 40 EKEB Brc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 408959676 CYZZJQBXPRQOMO-ZHZULCJRSA-N 343.268 5.190 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1C 409209081 FMPGSMIWVGHCPJ-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB Cc1ccc(O)c(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)c1 61808 UDSNHHAIYSEULX-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc[nH]1 5945737 OGGOCDIKVFTXGI-JOCHJYFZSA-N 342.442 5.477 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3C)c2c1 408779171 BHJGYLYQMZIFJH-BUVRLJJBSA-N 340.426 5.903 30 40 EKEB CCCOc1ccc2ccccc2c1/C=N/c1oc(C)c(C)c1C#N 409082331 IXWRPSGTWMNSEC-YDZHTSKRSA-N 332.403 5.461 30 40 EKEB CC(C)(C)c1cc(/N=C/c2ccc(O)cc2)c(O)c(C(C)(C)C)c1 297471 AEWSVRCSLKOPOV-LPYMAVHISA-N 325.452 5.443 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4118304 TUIQZPQQSNCPIV-MDWZMJQESA-N 348.423 5.172 30 40 EKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)c(O)c(C)c3)cc2)cc1 6202690 JEGHVWZASDXGEI-OEAKJJBVSA-N 347.414 5.561 30 40 EKEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 8084507 FPJYGISEAXPTFE-DEDYPNTBSA-N 344.252 5.327 30 40 EKEB C(=C\c1ccccc1)\C=N/CCCCCC/N=C/C=C\c1ccccc1 17314995 ATPFMBHTMKBVLS-RLXKVISOSA-N 344.502 6.115 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\[C@H]3C[C@H]3c3ccccc3)cc2)cc1 103513300 MHVRYHFVOKXUDT-BYYARECASA-N 342.398 5.237 30 40 EKEB C[C@@H]1/C(=N\O)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 105313054 IXJNSRRYDLWBGA-WBOWEBDKSA-N 349.261 5.235 30 40 EKEB O=C(/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360463 DQKGEUVSHIHAJZ-RMKNXTFCSA-N 344.254 5.620 30 40 EKEB Cc1cccc(CS/C(=N/c2ccccc2)Nc2ccccc2)c1 4244866 PAUTZCANSSQTJY-UHFFFAOYSA-N 332.472 6.028 30 40 EKEB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)Sc2ccccc21 13616152 IJIJIDSSHGTWET-WOJGMQOQSA-N 349.367 5.184 30 40 EKEB N#Cc1c(-c2ccccc2Cl)noc1/C=C/Nc1ccc(F)cc1 100417137 INZYHDANQDPSOH-MDZDMXLPSA-N 339.757 5.089 30 40 EKEB COc1ccc(Oc2ccc(N/C=C3\CCCCCC3=O)cc2)cc1 107650831 XAVHTANKTLKVBO-FOCLMDBBSA-N 337.419 5.317 30 40 EKEB Cc1ncc(N=C(O)C2CCC(c3ccccc3)CC2)c(C2CC2)n1 329685431 USLYZOLOMCFHFB-UHFFFAOYSA-N 335.451 5.224 30 40 EKEB CCOC(=O)c1cccc(/N=C\c2ccc(-c3cccc(F)c3)o2)c1 409009233 CFXUAZFXDUIZBK-XKZIYDEJSA-N 337.350 5.013 30 40 EKEB CCN(CC)c1ccc(/N=C/c2ccc(Br)s2)cc1 46321 WIMRIXPNKTXCQC-GZTJUZNOSA-N 337.286 5.107 30 40 EKEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(Cl)cc1 535855 PMVQUEKITBLBQR-UHFFFAOYSA-N 344.201 5.132 30 40 EKEB FC(F)Oc1ccccc1/N=C/c1c2ccccc2cc2ccccc12 3233526 LKNMEXRYMIICRK-AFUMVMLFSA-N 347.364 6.345 30 40 EKEB Cc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1 59461375 YEDAUUBYHRHFDE-LNSJNNGNSA-N 336.416 5.185 30 40 EKEB CCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 66351954 IIRLOGPQMLRMIQ-UHFFFAOYSA-N 341.410 5.397 30 40 EKEB O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1Cl 100480097 PSBPITXGLCWXEN-IDUWFGFVSA-N 329.570 5.306 30 40 EKEB CCCCCCCCCCS(=O)(=O)[C@@H]1CCCCCC/C1=N\O 100948612 WUZBPVSKZYLMRR-SELCWUDQSA-N 345.549 5.095 30 40 EKEB O/N=C1/C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 104119406 DKBTVOCXPDAIGZ-IWPJPXQQSA-N 339.438 5.872 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C 408737793 HCKUTWRBVKESQS-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)cc2Cl)ccc1Cl 273881 PSBPITXGLCWXEN-REZTVBANSA-N 329.570 5.306 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 977419 JNXKJLQXCLLESL-OEAKJJBVSA-N 346.430 5.105 30 40 EKEB C=CCn1c(C)c(/C=N/Nc2nc3ccccc3s2)c2ccccc21 4107668 FBGNZJFUIUAOKM-FYJGNVAPSA-N 346.459 5.191 30 40 EKEB CCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C(C)C)cc2)cc1 4651778 KMVPFWZAGAIQQW-CJLVFECKSA-N 339.435 5.180 30 40 EKEB C=CCCCCCCCCc1nc(SC/C=C(\C)Cl)n[nH]1 5828243 RKJFXCRHEBNJTP-WYMLVPIESA-N 327.925 5.499 30 40 EKEB N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1ccccc1 6045558 ADNQXZYLSFBFBW-UHFFFAOYSA-N 334.366 5.142 30 40 EKEB Cc1ccccc1N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 33733937 NNVIMNCTRAJFOP-JZBNPYPUSA-N 328.415 5.335 30 40 EKEB CCCCCCCCCCCCNC(=S)NNc1ccccc1 100980421 CDPIFSUVPXQPRP-UHFFFAOYSA-N 335.561 5.399 30 40 EKEB CCCCCCCc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1 101106370 FCUQBHJKKHMQFK-UHFFFAOYSA-N 348.408 6.612 30 40 EKEB CCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 167802126 IICPDVVTTGLPAT-FPLPWBNLSA-N 330.234 5.981 30 40 EKEB CCCCCCCCSC1(n2nc3ccccc3n2)CCCCC1 196778179 SWGURDSRVGUMPV-UHFFFAOYSA-N 345.556 6.142 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)cc1C 408739830 FYXZLMDDRQKQIP-XKZIYDEJSA-N 347.418 5.370 30 40 EKEB CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408783364 KPZYHKBEAYIDKA-OEAKJJBVSA-N 336.866 6.061 30 40 EKEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 96006193 HACQMFQDGUEMMR-CPXJLSPNSA-N 341.414 6.301 30 40 EKEB O/N=C(\c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 100467621 XLKFPTSFBIEJHV-FUGRWSRWSA-N 340.637 5.629 30 40 EKEB Cc1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c(C)c1 408758164 HBQAOCYNZJHHPC-QRVIBDJDSA-N 336.866 6.115 30 40 EKEB CSC1=N/C(=C\c2c3ccccc3cc3ccccc23)C(=O)S1 4660065 LBCULPWZCDZDNW-BOPFTXTBSA-N 335.453 5.326 30 40 EKEB C=CCc1ccccc1Oc1nc2ccccc2nc1N1CCCCC1 45900718 VWGKQWHKSNXDLV-UHFFFAOYSA-N 345.446 5.141 30 40 EKEB Cc1cc(C)c(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 101673749 JQHKNASHAIEDRD-BUHFOSPRSA-N 341.454 6.087 30 40 EKEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C 118933848 GJPBKKSNBJBHEI-PAPWGAKMSA-N 336.466 5.029 30 40 EKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccccc1 409214058 XJEHJSQSGOSOBE-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB N#Cc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 4524477 QCISJVRAOZUHPQ-HXUWFJFHSA-N 344.439 5.030 30 40 EKEB Cc1c(C(=O)Nc2sccc2C#N)oc2c1ccc1ccccc12 5937030 FAPCVAZIKCEKOI-UHFFFAOYSA-N 332.384 5.080 30 40 EKEB CCCCCCCCCCCCNC(=O)/C=C/c1ccccc1Cl 8443605 USKIAXJIHKGEKH-WUKNDPDISA-N 349.946 6.390 30 40 EKEB C/C(=C\C(=O)c1ccccc1)Nc1ccc(/N=N\c2ccccc2)cc1 96006192 HACQMFQDGUEMMR-ZOYGIQIFSA-N 341.414 6.301 30 40 EKEB CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 198078186 KOUNPYYQGPXTRY-FVQJWRHTSA-N 349.478 5.118 30 40 EKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408753042 HENYOPBAPMTMMA-KOEQRZSOSA-N 344.502 6.496 30 40 EKEB CC(C)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409094960 GPOSUAWMQZHZOM-HYARGMPZSA-N 332.403 5.050 30 40 EKEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2 6048018 BQTXHPARSNIFFQ-VAWYXSNFSA-N 341.366 5.062 30 40 EKEB N#CCCn1cc(-c2csc(NC3CCCC3)n2)c2ccccc21 7843300 PFQAAXINAXYTNA-UHFFFAOYSA-N 336.464 5.033 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(OCC)ccc1O 100922035 DEBAYXVLXMPWAD-UHFFFAOYSA-N 348.527 6.675 30 40 EKEB COc1ccc(C/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408760087 RJODSJYZOQOVSH-HAHDFKILSA-N 332.447 5.030 30 40 EKEB C(=N/c1ccccc1)\c1ccccc1OCc1cccc2ccccc12 409213979 VSYJCGFUYPTKTM-KOEQRZSOSA-N 337.422 6.169 30 40 EKEB CCCCCCCCC1[C@](C)(c2ccccc2)C[C@@]1(C)c1ccccc1 1597253 QORQBLPMUTXIGN-UIOOFZCWSA-N 348.574 7.673 30 40 EKEB C=C(C)COc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1C 4586222 XNUXUJWQNVDBBE-UHFFFAOYSA-N 346.382 5.470 30 40 EKEB biogenic O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccc(F)cc1 33376453 JTADJKXBLJASCW-YPKPFQOOSA-N 326.370 6.028 30 40 EKEB CCCCCCCCCCOC(=O)Nc1ccc(OC)c(Cl)c1 98001172 MPYXGCDXOYEDKQ-UHFFFAOYSA-N 341.879 6.038 30 40 EKEB Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)[C@H](C)CC(C)(C)N2C 223571945 FKKMQSGDSFUKIR-WMWHPZEKSA-N 349.522 5.534 30 40 EKEB C/C(=N/Nc1nc(C)c(C)s1)c1ccc(C2CCCCC2)cc1 409051387 LLQCBSIWLBLQQR-STZFKDTASA-N 327.497 5.644 30 40 EKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 3112576 GFZDDDPYNNAENN-OEAKJJBVSA-N 349.817 5.618 30 40 EKEB CC1(C)CC(=O)C(=CNc2ccc(/N=N/c3ccccc3)cc2)C(=O)C1 4729420 XHHQDCMXOJLYFP-WCWDXBQESA-N 347.418 5.356 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2ccc(C)c(C)c2)c(Br)c1 44844229 OMDIJEIDAMGUKM-CMDGGOBGSA-N 344.252 5.183 30 40 EKEB CCCCCCCCCCCCCCCCCCNCC(=O)O 59957871 SHRYOWAOIIMOSO-UHFFFAOYSA-N 327.553 5.922 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(/N=N\c3ccccc3)cc2)cc1 100245105 DHZKZZNYLTUXJU-PBTXOSIISA-N 341.414 6.219 30 40 EKEB Cc1cc(/C=N/c2ccc(Cl)c(O)c2)c(C)n1-c1ccc(F)cc1 408738114 OQLFORZSVMWMHJ-SSDVNMTOSA-N 342.801 5.343 30 40 EKEB C=CCOc1ccc(CNc2ccccc2CC)cc1Br 409111419 CNCBHIANROAEGN-UHFFFAOYSA-N 346.268 5.188 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2OC)cc1OC 409372505 ZNARDGHKLJAIAN-XMOVILSBSA-N 347.842 5.285 30 40 EKEB N#Cc1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCCC2 572764 OAYIWHWHMSYTKG-UHFFFAOYSA-N 346.455 5.294 30 40 EKEB Clc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 59678670 CFQMMTAOGHOLQP-OEAKJJBVSA-N 331.806 5.430 30 40 EKEB CCCCCCCCCCCCS[C@@H]1CCCCCC/C1=N\O 100933145 APXUOWHFSFALLF-YDJIHCHBSA-N 341.605 7.194 30 40 EKEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/Nc1nc(Cl)c(Cl)cc1Cl 103390144 UTDMLTUXAPHCKZ-IYZGSUCGSA-N 344.673 5.432 30 40 EKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 408708693 KYQBPVDNDBVZGG-UHFFFAOYSA-N 346.515 5.005 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409377184 FLKDBXRNPMCWPZ-HJGVYBFFSA-N 345.870 5.893 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/C=C/c3ccccc3)c2C#N)C1 4491612 IVFVIKAGXCYQCC-ZGDUXCSJSA-N 348.515 6.186 30 40 EKEB C#Cc1cccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1 228935229 PRTMFUGONOPHCI-UHFFFAOYSA-N 344.254 5.285 30 40 EKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2C(C)C)cc1 408915537 PXYZSZRAWCSCKL-BIXZQSIESA-N 336.460 5.007 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2C(C)C)c1C 408966747 NFPPAJAIYYJJSQ-PCLIKHOPSA-N 344.502 6.531 30 40 EKEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968604 XUYJDCDCJJTWEV-JLPGSUDCSA-N 336.523 6.143 30 40 EKEB COc1ccc2c(c1)C=C1C(=C/C(=N\c3ccccc3)CC1(C)C)O2 349431 XIDUSONNFGABIA-HAVVHWLPSA-N 331.415 5.558 30 40 EKEB CCCCCCCCCC[C@@H](C)c1ccc(S(=O)(=O)O)cc1 2038783 CJTZDYDOPZRFTF-MRXNPFEDSA-N 326.502 5.568 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)ccc1C 219811043 MDYYSRVQBNHXAS-MRXNPFEDSA-N 325.477 5.073 30 40 EKEB C#CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OCC 409113795 IVNUZJUHJXPLTC-UHFFFAOYSA-N 349.474 5.055 30 40 EKEB C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(C(F)(F)F)cc1 97465044 YFLYRWSEFNZCDM-AWEZNQCLSA-N 348.368 5.561 30 40 EKEB CCCCCCCCCCCCCC(=O)N(CCC#N)CCC#N 100931349 PVBQBYXVPDSBLG-UHFFFAOYSA-N 333.520 5.343 30 40 EKEB CCCCCCCCc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 103014002 PJAZPEWMTGFSLM-HAVVHWLPSA-N 337.463 6.038 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1O 409110167 SVOIZBBGSQWRST-UHFFFAOYSA-N 331.843 5.093 30 40 EKEB CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 8432231 NVCIBCALQWQAKR-HNNXBMFYSA-N 346.540 5.824 30 40 EKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 8653191 YNHRPXVZZIGOJR-LUAWRHEFSA-N 327.210 6.043 30 40 EKEB Cc1cc(C)c(N/C=C/C(=O)c2ccc(Br)cc2)c(C)c1 44843371 VEPHTPREKAGAKA-CMDGGOBGSA-N 344.252 5.183 30 40 EKEB Cc1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)cc1C 2137994 MQOLOXFCFVJJGY-UDWIEESQSA-N 332.424 5.893 30 40 EKEB CCCCCCCCCCCCCCCCCc1n[nH]c(=S)o1 104204643 VYELQOVVWRJRHQ-UHFFFAOYSA-N 340.577 7.146 30 40 EKEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 409076826 CKQNPPXYTUZFDP-SRRANQMSSA-N 326.465 5.423 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 409214642 YXPKNFPFIGKUBV-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB CCCCCCc1ccc(COc2ccc3cc(C#N)ccc3c2)cc1 2049169 RUEYCDIQIGKOCL-UHFFFAOYSA-N 343.470 6.413 30 40 EKEB N#CC(/C(F)=C(\F)c1ccccc1)(c1ccccc1)c1ccccc1 3094995 KNPXMUHBBFNXKA-QZQOTICOSA-N 331.365 5.804 30 40 EKEB FC(F)(F)c1ccccc1N/N=C/c1ccc(N2CCCCC2)cc1 6269413 LXXLDZRPXBIZBJ-OEAKJJBVSA-N 347.384 5.142 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1C 409216252 GOHYHPZFPWJFRE-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB Cc1ccc(-c2nc(S[C@@H](C)C#N)[nH]c2-c2ccc(C)cc2)cc1 2640831 UUMQDZYHDXXNJZ-HNNXBMFYSA-N 333.460 5.365 30 40 EKEB CCCCCCCC/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3073265 BADDRSHHZNWKJJ-JJIBRWJFSA-N 345.571 6.767 30 40 EKEB CCCCCC1CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1 3466658 NYIIMCUQDTTYJB-UHFFFAOYSA-N 337.551 7.219 30 40 EKEB O=[N+]([O-])c1ccccc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 5023424 AEBCDVXETPAZAZ-REZTVBANSA-N 344.585 5.001 30 40 EKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(C)c2O)c1 6396799 VLRWLCDGFZPLTE-CIAFOILYSA-N 344.842 5.233 30 40 EKEB C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 8570604 CCCRZPOPYYXEFR-UHFFFAOYSA-N 336.218 5.201 30 40 EKEB CCOc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242214 NBIIGCZEPWXPCH-XQNSMLJCSA-N 347.483 6.128 30 40 EKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1C1CCCCC1 408739478 CFLPVXHUECLFKS-UHFFFAOYSA-N 333.431 5.073 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3ccc4c(c3)OCO4)cc2)cc1 409246092 DSHVKONHAMAJDZ-XKZIYDEJSA-N 347.439 5.626 30 40 EKEB Cc1ccc(C(=O)/C=C/Sc2nc3cc(Cl)ccc3s2)cc1 68412 OYRWPXIESYDDHE-CMDGGOBGSA-N 345.876 5.747 30 40 EKEB CN(C)c1ccc(/C=C/C(=O)c2ccc(Nc3ccccc3)cc2)cc1 4817356 ZKKIZPSUHULGKF-LICLKQGHSA-N 342.442 5.392 30 40 EKEB S=C(Cc1ccccc1)NN=C1CCCCCCCCCCC1 6227620 CZDOTNPNAFZSOT-UHFFFAOYSA-N 330.541 5.807 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 8085004 GYQKDCRCLCOCCK-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB Fc1cccc(Cl)c1/C=N\Nc1nc(-c2ccccc2)cs1 16777133 CYEHAMPXQZRAII-OCKHKDLRSA-N 331.803 5.049 30 40 EKEB CCOc1ccccc1/C=N\c1ccccc1C(=O)Nc1ccccc1 18323660 NWVFFHZQABIZMB-KQWNVCNZSA-N 344.414 5.088 30 40 EKEB O=C(/C=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1 408625436 YEMPLOWMCZLNHK-BUHFOSPRSA-N 348.829 5.815 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 409009569 AYBPQBVIKXOTAE-SITPEIFSSA-N 325.452 5.747 30 40 EKEB Cc1oc(/N=C/c2c(OC(C)C)ccc3ccccc23)c(C#N)c1C 409081916 IHPSSHFMTUSFQB-FSJBWODESA-N 332.403 5.459 30 40 EKEB CCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330431 LLBRMJFXBQCTCI-PFONDFGASA-N 328.409 7.441 30 40 EKEB CC(C)(C)c1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1 553629 ACXVDMXLQAIYTQ-UHFFFAOYSA-N 329.403 5.105 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OC 6880661 METNZIYDOWGYKO-CIAFOILYSA-N 331.843 5.505 30 40 EKEB Cc1cc(C)cc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408741153 ODXDSCREDCUIKU-BUVRLJJBSA-N 345.490 5.528 30 40 EKEB Clc1ccc(-n2cccc2/C=N/Nc2ccc3ccccc3n2)cc1 408849592 WYRBJXFAOLABGR-HYARGMPZSA-N 346.821 5.125 30 40 EKEB O=C1C=C(Nc2ccccc2C(F)(F)F)C[C@H](c2ccccc2)C1 409003351 SCHOSBORKULKNZ-AWEZNQCLSA-N 331.337 5.148 30 40 EKEB Cc1ccc(/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1C 1102842 RDEMOTLTGWIVOC-CIAFOILYSA-N 347.443 5.675 30 40 EKEB CC/C(=N\NC(=S)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 4871676 BSJJXGWEPDRSAE-HEHNFIMWSA-N 345.899 5.058 30 40 EKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OC 6959181 MOYQUBCQZCDLQV-KEBDBYFISA-N 338.234 5.460 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 8371885 NPSNNWABRLZKPG-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCN 59868190 VPHOSDZKGZRSAI-MDZDMXLPSA-N 325.537 5.526 30 40 EKEB Clc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)c(Cl)c1 100133432 YKPFOXXJYJZZGO-FMCGGJTJSA-N 338.237 6.315 30 40 EKEB in-vitro C#CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 409113419 FWVLHIJPCIEZKU-UHFFFAOYSA-N 329.399 5.103 30 40 EKEB Cc1nc(SCc2ccc(C#N)cc2)n(C2CCCCC2)c1C 6657531 LHSSIGSACSTCSQ-UHFFFAOYSA-N 325.481 5.169 30 40 EKEB CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCC[C@H]3C)cc1 16609127 GZPFVYUWQSKPDR-CQSZACIVSA-N 329.447 5.242 30 40 EKEB O=C1/C(=C\C=C\c2ccccc2)CCC/C1=C\C=C/c1ccccc1 31667383 CTQRVSIAFMWYTR-FYMWNJRISA-N 326.439 6.019 30 40 EKEB CCCCCCCCCCCCN(CCCC)C(=O)CC(C)=O 100071433 YBZNFAPTMAUKPF-UHFFFAOYSA-N 325.537 5.515 30 40 EKEB N#Cc1cn(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc12 226361752 OUONYIQOKXGEOA-UHFFFAOYSA-N 346.773 5.115 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)cc1 408756471 VKMPSVNOHYMWDS-HMAPJEAMSA-N 347.418 5.315 30 40 EKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(Cl)cc1 408768210 CVMMBKJIXKYWLW-CIAFOILYSA-N 340.879 5.787 30 40 EKEB CCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1 2022912 FMEJYQSHWHPSHF-UHFFFAOYSA-N 340.419 5.117 30 40 EKEB biogenic O=C1/C(=C\c2ccccc2[N+](=O)[O-])Sc2ccc3ccccc3c21 6496526 LFRZIRQRGALBEI-GZTJUZNOSA-N 333.368 5.078 30 40 EKEB COc1ccc(C)cc1[C@H](C)NC1CCC(C#N)(c2ccccc2)CC1 6651296 ZWLCGBHZARHNCN-QRGRWYIGSA-N 348.490 5.058 30 40 EKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 17023042 RJGYJZHKLBNGTH-MSZJLCJDSA-N 337.290 6.182 30 40 EKEB C=CCc1c(C)nc(-c2ccccc2)nc1Nc1cc(C)ccc1OC 40556506 PPVFFQBOEXNMKG-UHFFFAOYSA-N 345.446 5.241 30 40 EKEB CCCCCCCCCCC/C(=N\O)c1ccc2cccnc2c1O 100935878 CZTKYFOZBDZFGO-FCDQGJHFSA-N 342.483 6.040 30 40 EKEB O=C1C(c2ccccc2)=C(Nc2ccc(Cl)cc2)c2ccccc21 100942501 DHNLBEMZYYHAJS-UHFFFAOYSA-N 331.802 5.517 30 40 EKEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1O 101160318 XEEAFMOAAVYYPD-SRZZPIQSSA-N 345.229 5.688 30 40 EKEB CCOc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409059204 VIQCIOLOYINBNZ-GIJQJNRQSA-N 339.178 5.051 30 40 EKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)C1 408564346 YWQGLEDADDESIM-YLSINNKHSA-N 340.294 6.095 30 40 EKEB CCCCCCCCCCCCc1c2ccccc2cc2ccccc12 1703238 JORZBSFPMKMFMU-UHFFFAOYSA-N 346.558 8.456 30 40 EKEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 5280544 XJRACTZDWAQGCJ-KPKJPENVSA-N 326.317 5.755 30 40 EKEB Cc1cccc(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 14922972 BZIJDICPDDOUAP-JAIQZWGSSA-N 340.766 5.567 30 40 EKEB COc1ccc(OC)c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 71977162 AWZMHDNLWVKNKH-WYMLVPIESA-N 344.410 5.267 30 40 EKEB C/C(Cl)=N/c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 101156740 AEASXDFTGLAVET-LXOGZNDWSA-N 325.837 6.242 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 408692606 QOJWNLXEBYFMLV-BUHFOSPRSA-N 329.443 5.607 30 40 EKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408738379 WGEUXBJJRRYARL-YDZHTSKRSA-N 334.394 5.186 30 40 EKEB COc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 368451 DXPDNYQVXBVRDP-YDZHTSKRSA-N 346.455 5.411 30 40 EKEB O=C1/C(=C\c2cc(F)ccc2F)[C@@H](c2ccccc2)c2ccccc21 5279850 YHCOALRWQXAFKV-FNGUVFISSA-N 332.349 5.377 30 40 EKEB COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 8161507 YXHFJCJHBFILTH-HYARGMPZSA-N 337.806 5.892 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1 100116740 DZNGGIZLJGBEPO-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB CC(C)N1c2ccc(/C=N/c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C 223564263 FFCLWJWUQVLVFV-GCMSVZMUSA-N 338.470 6.077 30 40 EKEB CC(C)c1cc(/C=N/Nc2ccc3ccccc3n2)cc(C(C)C)c1O 408845440 GXHKUVFEIMBEPK-YDZHTSKRSA-N 347.462 5.633 30 40 EKEB O=[N+]([O-])c1cccc(N/N=C(\N=N\c2ccccc2)c2ccccc2)c1 4481613 DFNLSHMKMVGJCG-UATKBZSTSA-N 345.362 5.152 30 40 EKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 4582853 YNHRPXVZZIGOJR-PKNBQFBNSA-N 327.210 6.043 30 40 EKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 5612527 ITWOPFOSIWSCID-ZDLGFXPLSA-N 333.869 5.361 30 40 EKEB CN(C)/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2 6852315 FSFLDXFACAARSK-YBFXNURJSA-N 341.505 5.125 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\Nc1nc(-c3cccs3)cs1)C2 12374298 ODZLJGDWICDQIS-ZPSPFCAJSA-N 331.510 5.486 30 40 EKEB N#Cc1cc(Sc2ccccc2)c(Sc2ccccc2)cc1C#N 24522937 XOHYJKFIHOYQKA-UHFFFAOYSA-N 344.464 5.732 30 40 EKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 32100573 NDCZSWUZYAOQBO-CSKARUKUSA-N 340.637 5.845 30 40 EKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)s1 252495435 OQGVVLIFQUJXAX-REZTVBANSA-N 337.832 5.110 30 40 EKEB CC(C)N1c2ccc(/C=N/c3ccc(F)cc3)cc2[C@H](C)CC1(C)C 260563031 FFCLWJWUQVLVFV-HUSFYUSLSA-N 338.470 6.077 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)cc1 408739523 XGWUWHBRUGDNHI-PCLIKHOPSA-N 338.454 6.306 30 40 EKEB N#Cc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 409189818 TUWZXNVOOOIFKN-UHFFFAOYSA-N 342.423 5.414 30 40 EKEB Brc1ccc(/C=N/c2ccc3c4c(cccc24)CC3)cc1 354153 ODDSQXSGRQWNNJ-CIAFOILYSA-N 336.232 5.452 30 40 EKEB CCCCCCCc1ccc(C(=O)Nc2cccc3ccccc23)cc1 2023197 CYVBGGRJDCJROR-UHFFFAOYSA-N 345.486 6.605 30 40 EKEB CCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 2202500 YGXQPIPRAQNFLJ-UHFFFAOYSA-N 331.463 6.017 30 40 EKEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ccc(F)cc2)cc1 4867922 HJAQSNWEZIJCDK-LFVJCYFKSA-N 347.437 5.298 30 40 EKEB CSc1ccccc1/N=C/c1cc(F)c(N2CCCC2)cc1C 6792620 ZOSCRCUKISCUTQ-FYJGNVAPSA-N 328.456 5.207 30 40 EKEB C[C@@H]1CCCC[C@@H]1/N=C(/S)Nc1ccc(SC(F)F)cc1 13479380 ORCDWZCHRCYHIM-MFKMUULPSA-N 330.469 5.278 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)cc1C 44843932 JXVYBEPPSWKSQX-CCEZHUSRSA-N 343.426 5.904 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Oc2cccc(N)c2)cc1 59663616 PZIRQEDWKVZVMG-UHFFFAOYSA-N 341.451 5.227 30 40 EKEB C=CCOC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 73634026 JCAXXLKNMLYQNK-UHFFFAOYSA-N 348.185 5.144 30 40 EKEB C(=N/c1c2ccccc2nc2ccccc12)\c1cccc2c1OCOC2 100060576 GJQOMPCZKFVCSW-FSJBWODESA-N 340.382 5.005 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C 223527382 DEBFPXDDIQSXRG-VBHMAFOESA-N 336.479 5.558 30 40 EKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408964722 DHOGXPJYFPLQNX-LFVJCYFKSA-N 330.475 6.142 30 40 EKEB N#Cc1c(/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccco1 408976743 RXXFWUAETBDWLY-BUVRLJJBSA-N 338.366 5.829 30 40 EKEB Cc1ccsc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N 2770551 JLAJWUFCOMVSAQ-UHFFFAOYSA-N 338.457 5.217 30 40 EKEB C/C(=N\Nc1ccc(C)c(Cl)c1)c1ccc(Br)cc1 4922368 CKYISJFGVKTFCK-WOJGMQOQSA-N 337.648 5.247 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2C)cc1 51318544 HAXRPRAQCZYOAU-VAWYXSNFSA-N 343.854 5.636 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 100191281 NNFRVKAJSDZZDF-MFKUBSTISA-N 339.442 5.701 30 40 EKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 5907524 FMEJYDFSVLUJOT-VURRPDKYSA-N 332.787 5.218 30 40 EKEB C=CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 20241943 XFWYLKIUTYIXRZ-ZDUSSCGKSA-N 347.867 5.024 30 40 EKEB C/C(=C\C(=O)c1cccnc1)Nc1ccc(/N=N/c2ccccc2)cc1 32100631 CARYZHDZTGBTBD-KGUNYZKOSA-N 342.402 5.696 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCO 32787130 BOWVQLFMWHZBEF-MDZDMXLPSA-N 325.537 5.132 30 40 EKEB in-vitro C=CCc1cc(/C=N/c2ccc(CCCC)cc2)cc(OCC)c1O 59678458 WREJHUBFWKHIBG-XQNSMLJCSA-N 337.463 5.613 30 40 EKEB CCCCCCCCCCCCCCCCn1cnc2ccccc21 60117133 RWMRETJLJRUDMC-UHFFFAOYSA-N 342.571 7.518 30 40 EKEB CN1[C@H](c2ccccc2)CC(=Nc2ccccc2)C[C@H]1c1ccccc1 73242593 UVHKUWLZFPTNRD-ZEQRLZLVSA-N 340.470 5.967 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=O)OCC 100309179 ZQRKKRPGMWJFCH-UHFFFAOYSA-N 341.580 6.994 30 40 EKEB CN1/C(=C/C=N/c2ccc(F)c(F)c2F)C(C)(C)c2ccccc21 103451669 GAOZDBAVQWGMEG-QUCSAUPBSA-N 330.353 5.118 30 40 EKEB Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N2CC2)cc1 104333994 YKKMROBDBAPTHK-WCWDXBQESA-N 326.443 5.173 30 40 EKEB CCOc1cccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 107848613 GSOMGRQQMOEIQJ-FOCLMDBBSA-N 343.426 5.561 30 40 EKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 198150695 WJMABIWMAPKARD-BUVRLJJBSA-N 332.491 5.940 30 40 EKEB Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 3088534 UUEMSJBXANKWIO-BUVRLJJBSA-N 343.426 5.582 30 40 EKEB CCCC(=O)C1=C(Nc2ccccc2C)C[C@H](c2ccccc2)CC1=O 340912 GRUJCUJXRBDWKL-SFHVURJKSA-N 347.458 5.177 30 40 EKEB CC(C)(C)[C@H]1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1 495804 HAYFFPKYRICYAU-NSHDSACASA-N 328.506 5.495 30 40 EKEB O/N=C1\C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1c1ccccc1 33901447 QWMMGJJMBIYAMK-PGJJHWSKSA-N 342.442 5.076 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccccc2Cl)cc1 44843111 PMAXBGPGAKMQOO-OUKQBFOZSA-N 329.827 5.327 30 40 EKEB OC1=NC(=N\c2cccc(F)c2)/C(=C/c2cccc3cccnc23)S1 72401948 PCMPRYLNZGDFMU-YBEGLDIGSA-N 349.390 5.106 30 40 EKEB C=CCc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OC 408703415 RGJQPPFTMSUKIB-UHFFFAOYSA-N 343.426 5.343 30 40 EKEB Clc1ccc(/C=N/c2ccc(Br)c(Cl)c2)s1 408967204 QPWQQHVIGZQLJY-GIDUJCDVSA-N 335.053 5.568 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409228714 CYPRPPMMVKFKCI-DTVDJLOLSA-N 331.463 5.753 30 40 EKEB COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1 6289373 PYJBMIQMKLZBHX-WYMLVPIESA-N 344.410 5.170 30 40 EKEB Oc1ccc2ccccc2c1/C=N/CC12CCC3C[C@@H](C[C@H](C3)C1)C2 100920794 TYPJGUKCUWMYMK-PSHAMJQQSA-N 333.475 5.571 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc21 104201770 PGNDKOWODWWYKP-HMAPJEAMSA-N 343.386 5.473 30 40 EKEB COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c2ccccc12 298088 JPHAMGSWEIQBBE-SRZZPIQSSA-N 330.214 5.906 30 40 EKEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]21C 3843611 IVXCPPFOKIYBRE-OZXBTWHLSA-N 328.540 5.420 30 40 EKEB C/C(=C/C(=N\N=C/c1ccccc1O)c1ccccc1)c1ccccc1 5030473 KGFIXCIEGNPCNP-LZAYRFJISA-N 340.426 5.319 30 40 EKEB Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 6584390 BRNUEXOVZCGXCA-LPYMAVHISA-N 348.858 6.367 30 40 EKEB C=CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC 6961084 DHEPMUMFIKTKPF-FYJGNVAPSA-N 329.827 5.363 30 40 EKEB O=C(/C=C/c1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1 33376413 SSUIJQHAMVDKLZ-WUKNDPDISA-N 342.825 5.636 30 40 EKEB CCCN/C(=N\c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 49772138 SPHJZMRRWPHPBV-UHFFFAOYSA-N 340.776 5.437 30 40 EKEB CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525637 UJXMIOVGPWESNH-UHFFFAOYSA-N 346.277 6.595 30 40 EKEB CCCCCCCCCCC[C@]1(C)OCO/C1=C\C[N+](C)(C)C 109088605 OIZHSRTZRJBENA-YKRMCXMESA-N 326.545 5.260 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2)cc1 408586176 LRFPEDMZCKCSAR-UHFFFAOYSA-N 325.452 5.678 30 40 EKEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 409176475 ONYFSBZNLZRVOJ-CMDGGOBGSA-N 342.225 5.955 30 40 EKEB Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C#N 2382214957 OBULTJCEONEIFO-UHFFFAOYSA-N 329.399 5.025 30 40 EKEB Cc1cc(C)c(C2(C)CC(/C(=N\O)c3cc4ccccc4o3)C2)c(C)c1 15230122 ZAHJQPRUYZZMSG-ZNTNEXAZSA-N 347.458 5.904 30 40 EKEB CCn1c2ccccc2c2cc(/N=C/c3cccc([N+](=O)[O-])c3)ccc21 18069218 FXVZLBDDTCBSQQ-HYARGMPZSA-N 343.386 5.473 30 40 EKEB COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 28466822 NYGOSCWEGSOKNR-ZSOIEALJSA-N 344.410 5.267 30 40 EKEB CCCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 95093065 SVDRGQIOEGPZKJ-UHFFFAOYSA-N 339.482 7.015 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\Nc1nc(-c3cccs3)cs1)C2 102447965 ODZLJGDWICDQIS-HJAMVMGWSA-N 331.510 5.486 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)cc2)cc1OCC 409119278 SMDAPXBBDPHCGP-UHFFFAOYSA-N 337.463 5.299 30 40 EKEB COc1ccc(C)cc1/N=C/c1cccc(OCc2ccccc2)c1 3228595 KUJSXFWVJQPKPM-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB C(=N/c1ccccc1)\c1c(OCc2ccccc2)ccc2ccccc12 5773734 IHOHJAIFTNCHMT-KOEQRZSOSA-N 337.422 6.169 30 40 EKEB Oc1c(Cl)cc(Cl)cc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1 18121752 SSLZZBFLKKIIFH-CVZQCJKPSA-N 347.205 5.029 30 40 EKEB CC(C)(C)c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1 32647135 HSSGDKDPASVDAC-CIAFOILYSA-N 338.842 5.027 30 40 EKEB O/N=C1/C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 104119399 DKBTVOCXPDAIGZ-KIAZCSCTSA-N 339.438 5.872 30 40 EKEB CCCCCCCCCCCCCCCCN1CCSCC1 104190153 MYUYWDFPEUCEOG-UHFFFAOYSA-N 327.622 6.517 30 40 EKEB Fc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)c1 409202895 VCWVQADCGPTGNA-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB C=C(C)CCC[C@H](C)CCN(/N=C/c1ccccc1)c1ccccc1 4266400 GJDPFZURUFCRKQ-WGHBEHPSSA-N 334.507 6.300 30 40 EKEB Cc1cc(O)ccc1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5540206 JAUWYJOTKVEQBD-YDZHTSKRSA-N 339.479 5.752 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OCC 6880693 QDUCJVJXRWLWAS-FYJGNVAPSA-N 347.842 5.287 30 40 EKEB Cc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461371 BQDOLZDFJFHQQL-LNSJNNGNSA-N 336.416 5.185 30 40 EKEB C=CCNC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCC 104109770 ADZPERKXQXVDFT-PMACEKPBSA-N 337.548 5.537 30 40 EKEB Cc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409073199 VKFFEJJWNYFYLZ-HMAPJEAMSA-N 337.875 6.550 30 40 EKEB O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F 575358000 ZZBHWTGRGBLTIS-UHFFFAOYSA-N 343.025 5.009 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)O 4081365 DEFBNRDMYPYCCS-DIEINZNXSA-N 332.572 6.673 30 40 EKEB biogenic O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 34470008 OXCWBCIPYMWDBG-ZZXKWVIFSA-N 346.040 6.196 30 40 EKEB COc1ccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc1 409075280 YIXYMIFCQZPGHI-FOCLMDBBSA-N 345.398 5.296 30 40 EKEB Cc1cccc(/N=C/c2ccccc2OCc2ccc(F)cc2)c1C 409207917 CNXCGTQVOBMHAH-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CCCCCCCCC1[C@@](C)(c2ccccc2)C[C@]1(C)c1ccccc1 1597254 QORQBLPMUTXIGN-CLJLJLNGSA-N 348.574 7.673 30 40 EKEB C=CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2250983 GHDCUSMOHFVRQN-UHFFFAOYSA-N 341.505 5.130 30 40 EKEB CCCC1C/C(=C/c2cccc(C)c2)C(=O)/C(=C/c2cccc(C)c2)C1 5614680 YRYBYZCFBUHJJQ-JVBWRSBESA-N 344.498 6.550 30 40 EKEB C(=C1\CCCC\C1=N/Nc1nc2ccccc2s1)\c1ccccc1 5733659 UCJMFRVVCVSPKS-IBCOTZFFSA-N 333.460 5.722 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OCC 6959285 SGKQIOYCWLUDBD-LPYMAVHISA-N 341.838 5.118 30 40 EKEB C/C(=N/OC(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12 16136673 LAKFCSOSUJIRDQ-XKZIYDEJSA-N 338.794 5.466 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)cc1 32125508 UHPWBWKZFVMWBK-HAHDFKILSA-N 348.446 5.044 30 40 EKEB CC1(C)C[C@H]([C@@H](CC/N=C/c2ccccc2)c2ccccc2)CCO1 100098660 VSHGZYNYQYFIKY-PWRLBTGDSA-N 335.491 5.485 30 40 EKEB Cc1ccc(N/C=C/c2onc(-c3ccccc3Cl)c2C#N)cc1C 100102401 LSIAMBSCPZWFCG-MDZDMXLPSA-N 349.821 5.566 30 40 EKEB CCCCCCCCCCCCCCCC(=O)OCCOCCO 100306082 RGODSEMCBFJLCL-UHFFFAOYSA-N 344.536 5.020 30 40 EKEB Cc1cccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408962260 XSBDKPKICBKRRK-UCQKPKSFSA-N 345.398 5.023 30 40 EKEB O=C(/C=C/C=C/c1ccccc1)c1ccc(Oc2ccccc2)cc1 4866088 IWFHLEDPWQEWLV-HPIZBCMHSA-N 326.395 5.931 30 40 EKEB CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1 12524981 MRQALQYQAUKSSG-CJLVFECKSA-N 327.790 5.254 30 40 EKEB Cc1ccc(N=Nc2ccc(N/C=C/C(=O)c3ccco3)cc2)cc1 409179225 QMQIIIZBPJDGNE-PZFGMSNSSA-N 331.375 5.812 30 40 EKEB Oc1ccc(-c2ccccc2)cc1/N=C/c1ccc(Cl)cc1Cl 3033592 TUZREUGEWADMPZ-WSDLNYQXSA-N 342.225 6.117 30 40 EKEB O=C(/C=C/c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 5214792 FSDNSCPTYVCIPR-IZZDOVSWSA-N 335.384 5.219 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 6941566 KUUQVEVSTDUUBS-UDWIEESQSA-N 346.268 5.605 30 40 EKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 17124086 PYMUSXAHUXOKGH-SDNWHVSQSA-N 332.374 5.301 30 40 EKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 98001375 QJUGCSICZSOGCO-UHFFFAOYSA-N 333.472 5.331 30 40 EKEB biogenic CCCCCCCCCCCCc1ccc(C(/C=N/O)=N\O)cc1 100932723 TYIPFLYTYFSKIK-BYVORTCQSA-N 332.488 5.788 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc4cccnc34)c2C)cc1 408739069 SMYLCNZQMKVLSO-MFKUBSTISA-N 339.442 5.701 30 40 EKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)cc1 409096330 KSWHZWJDCMHCPG-WUKNDPDISA-N 343.426 5.850 30 40 EKEB COc1cccc(Oc2ccc(N/C=C3/CCC[C@H](C)C3=O)cc2)c1 3639248 IJQMSUIBAFRXKE-RIBQPWQFSA-N 337.419 5.172 30 40 EKEB CC(=O)/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 8653276 NPMHKEMZUVOLJB-CJLVFECKSA-N 326.395 5.209 30 40 EKEB N#Cc1ncc(C(F)(F)F)cc1Oc1cc(Cl)cc(Cl)c1 1392196 GNCNACBMZLABOJ-UHFFFAOYSA-N 333.096 5.071 30 40 EKEB CCOc1ccccc1/C=N\Nc1c2ccccc2nc2ccccc12 31672188 XXZKBVJPGXDRJP-HAHDFKILSA-N 341.414 5.233 30 40 EKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccccc2)c(C)s1 409052477 HYJSUUDJKSCWNK-NHRABQJNSA-N 333.460 5.620 30 40 EKEB CN(C)CC[C@@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 347538 COHMSQBLJMBJBN-AWEZNQCLSA-N 330.884 5.050 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)c(C)c1 8368828 DUUUYVVPPXFVPW-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)cc(Cl)c2)cc1 51318852 YGSIYTMWKMQXDU-BQYQJAHWSA-N 336.218 5.201 30 40 EKEB CCCCCCCc1c(CC)n(C(=O)OC(C)(C)C)c2ccccc12 100238423 SQXPWLMLXHPKSK-UHFFFAOYSA-N 343.511 6.500 30 40 EKEB Cc1cc(C)c2oc(-c3ccc(/N=C/c4ccccc4O)cc3)nc2c1 100502826 GQZXVYXYLXMASX-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CCCCCCCCCCC/C(=N/O)c1cccc(Cl)c1O 100933914 BKEVBJUTFBVCAI-JZJYNLBNSA-N 325.880 6.145 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1ccccc1SCC 219816290 HDCLWUUGSXEWPX-UHFFFAOYSA-N 329.490 5.329 30 40 EKEB CCCC[C@H](CC)[C@H](C#C[C@@H]([C@H](CC)CCCC)N(C)C)N(C)C 4409542 RJLGGVZDIXQSOC-LRSLUSHPSA-N 336.608 5.283 30 40 EKEB CCCCCCCCCCCCCCCCOc1cccc(C=O)c1 100310106 OUXLJXSUHFCQRF-UHFFFAOYSA-N 346.555 7.359 30 40 EKEB CCCCCCCCCC[C@@H](C(=O)c1ccccc1)N1CCCCC1 100693309 HRIOXDQTKYYRLE-QFIPXVFZSA-N 343.555 6.255 30 40 EKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 103613712 HAOLKLICEFOBQW-OEFJELFNSA-N 340.382 5.582 30 40 EKEB CCCCCCCCCCCCCCCCCC1=N[C@H](CC)CO1 104326419 KFWMAYFJAHUWBW-OAQYLSRUSA-N 337.592 7.455 30 40 EKEB C=CCn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 1383367 DBUPLZIIISLAQG-UHFFFAOYSA-N 338.625 5.245 30 40 EKEB CCCCC[C@@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1727177 QIXYIBIIMNDKCW-GDXASINISA-N 342.310 5.334 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl 8368507 WTSGYDPDAUMOOY-SRZZPIQSSA-N 334.246 5.926 30 40 EKEB CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 408853750 RDISTMPIYAMEDC-HAHDFKILSA-N 336.866 6.179 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409228715 CYPRPPMMVKFKCI-WTJYETQFSA-N 331.463 5.753 30 40 EKEB Cc1nn(-c2ccccc2)c(/N=C/c2cccs2)c1-c1ccccc1 242529 RQRCPWYEAFHDBW-PXLXIMEGSA-N 343.455 5.660 30 40 EKEB COc1ccccc1/C=C1\S/C(=N/c2ccccc2Cl)N=C1O 6848981 KFHPWPVHEFLMIH-GDNBJRDFSA-N 344.823 5.081 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl 71976968 OKGXFUZEIDUXGO-QHHAFSJGSA-N 346.040 6.196 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\C/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367072 FVZOOJLCWIRRQE-DPYHWCPFSA-N 340.507 5.280 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(N(C)C)cc2)c1C 408967319 PXJICSCZENHVPF-JLPGSUDCSA-N 345.490 5.473 30 40 EKEB Fc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Cl 409208933 AVYHVHNIALJQSH-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 409216994 MXWYDAOXNSZGOH-IWIPYMOSSA-N 333.406 5.718 30 40 EKEB c1ccc([C@H]2O[C@@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 158272 ZEUYIQIOKFNOJX-QHAWAJNXSA-N 331.440 5.197 30 40 EKEB CCOc1ccc(/C=N/c2ccc(NC(=O)c3ccccc3)cc2)cc1 361377 UJNPJHAYENQOQT-XQNSMLJCSA-N 344.414 5.088 30 40 EKEB CCCOC(=O)Nc1ccccc1/N=C1\CCC\C1=C\c1ccccc1 6593349 TWVWNSUCYZBHSW-VDJPPSHYSA-N 348.446 5.985 30 40 EKEB CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 6958067 MGEGTVIKGSGYGW-KEBDBYFISA-N 338.234 5.460 30 40 EKEB CN1C(=O)C=C(/C=N/c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@@H]21 16955245 OYSCKFIELWMGSV-YVVCTBMISA-N 344.458 5.013 30 40 EKEB COc1ccc(C2=C(Nc3cccc(F)c3)c3ccccc3C2=O)cc1 101093087 YLNKQXUZETVTPZ-UHFFFAOYSA-N 345.373 5.011 30 40 EKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 198080244 MNGBHWCAQFYWDP-HIQXPHMNSA-N 334.507 6.030 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)cc1 408752288 HKQNYCIYVLAKMR-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)c1 408758750 QIVVQZRDZARZBP-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB Fc1cccc(-c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)o2)c1 409018467 HLPJTFZBQYXXNF-FBHDLOMBSA-N 334.177 6.143 30 40 EKEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409085728 ZTXJWFPFAMWDAW-DXRSZSRVSA-N 336.504 5.830 30 40 EKEB C=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1Br 409116696 LLAUJZXUNGNFBS-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB O=C(On1c(-c2ccccc2)cc2ccccc21)c1ccc(Cl)cc1 239453 OFTLEGGHEVHWNN-UHFFFAOYSA-N 347.801 5.231 30 40 EKEB Clc1ccc(/N=C/c2sc3ccccc3c2Cl)c(Cl)c1 2283047 MJSRAQWZZYFYQJ-UFWORHAWSA-N 340.662 6.612 30 40 EKEB Cc1csc2sc(C(=O)/C=C\c3ccc(Cl)cc3)c(C)c12 33374259 JEQTYUGJBYNBMX-YVMONPNESA-N 332.877 6.129 30 40 EKEB Cc1ccc(O)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 58617 FZNNZRXIQQDTNG-LPYMAVHISA-N 328.371 5.259 30 40 EKEB O=C(/C(=N\N=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 67728 KWQRBQAHDAEYIK-XZIKTUPWSA-N 346.817 5.046 30 40 EKEB Brc1ccc(/C=N/c2ccc3[nH]c4ccccc4c3c2)cc1 494648 CXDFVUWWRYSMAA-CIAFOILYSA-N 349.231 5.834 30 40 EKEB CC(=O)c1cccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)c1 2291945 JXYGEADZRMSNEQ-SWZQWKNLSA-N 347.414 5.299 30 40 EKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1C(C)C 8812028 XMRNCWQWVWBNOD-YDZHTSKRSA-N 339.870 5.308 30 40 EKEB C=CCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 100457706 ZWPBLWYDADPJLU-WQRHYEAKSA-N 326.446 5.031 30 40 EKEB CCCCCCCCCCCCCCN(CCO)C(=O)OCC 100924185 TVUHJUIZGKVUOW-UHFFFAOYSA-N 329.525 5.138 30 40 EKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(F)cc1 408787195 UJGITRNBWTZOJA-MYYYXRDXSA-N 342.417 6.137 30 40 EKEB C=C(C)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 477479 GQFKDDOLBCDQIL-NSHDSACASA-N 347.553 5.093 30 40 EKEB O=C1Nc2ccccc2/C1=N\c1ccc(Oc2ccc(Cl)cc2)cc1 13902701 NUSPNPIHJDIDIA-UHFFFAOYSA-N 348.789 5.205 30 40 EKEB Cc1cccc(C(=O)/C=C\Nc2ccccc2C(=O)c2ccccc2)c1 100662218 RNYFBFQHKQWLEL-PFONDFGASA-N 341.410 5.035 30 40 EKEB C(=N\Nc1ncnc2ccccc12)\c1c2ccccc2cc2ccccc12 4536855 YVWSJOKPMLZWBC-WGARJPEWSA-N 348.409 5.382 30 40 EKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccccc2)c1 8367988 QYVQSCOHILCKOU-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1 59461376 YEDAUUBYHRHFDE-YZJQUUSSSA-N 336.416 5.185 30 40 EKEB CCCCCCCC[C@@]1(CCC)NC(=S)N(c2ccc(C)cc2)N1 103707825 UUDNXPAKWLQGTR-FQEVSTJZSA-N 347.572 5.441 30 40 EKEB N#Cc1ccc(-c2ccc(/C=N\c3cccc(Cl)c3Cl)o2)cc1 409019209 ZMMWZQQGTCVOBU-JJFYIABZSA-N 341.197 5.876 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2)cc1OC 409371644 XPCUUAGHHDGUSG-KIHMUJGBSA-N 335.806 5.416 30 40 EKEB Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2ccc3ncccc3c21 13564303 DPTMBVLUGMOYSZ-FQEVSTJZSA-N 346.455 5.169 30 40 EKEB O=C1/C(=C/C=C\c2ccccc2)CCCC/C1=C\C=C/c1ccccc1 17380136 ONORUXCYOUKTBD-XOUSOTBQSA-N 340.466 6.409 30 40 EKEB Cc1cc(C)c(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)c1C 19805255 JBPKKEMJANZYDA-UHFFFAOYSA-N 333.479 5.095 30 40 EKEB CCCCCCCCCCCC(=O)Nc1ccsc1C(=O)OC 102064335 NKCYCYRKBFDRHK-UHFFFAOYSA-N 339.501 5.394 30 40 EKEB C#CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 409215133 WXONVOWSWAQMJP-OEAKJJBVSA-N 333.818 5.564 30 40 EKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4O)cc3)nc2c1 218273 UHSAMLZDTODRLR-LPYMAVHISA-N 328.371 5.259 30 40 EKEB C#CCOc1ccc([C@@H](CC)[C@H](CC)c2ccc(OCC#C)cc2)cc1 1677725 HITRPXJUQPKJRE-DNQXCXABSA-N 346.470 5.398 30 40 EKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OC 6960444 ACOQUOIUSFMYKT-XQNSMLJCSA-N 347.414 5.637 30 40 EKEB CSC(SC)=C1CCCC/C(=C\C=C\c2ccccc2)C1=O 68590749 LBLPXMVTUWVMPD-YZLWMTBJSA-N 330.518 5.707 30 40 EKEB CCCCCCCOc1ccc(C(=O)c2cncc3ccccc23)cc1 100594117 RTCACIMXGXLHTR-UHFFFAOYSA-N 347.458 5.815 30 40 EKEB C[C@H](Nc1oc(-c2cccc3ccccc23)nc1C#N)c1ccccc1 533693 KTPDHUULAINYQD-HNNXBMFYSA-N 339.398 5.540 30 40 EKEB Clc1ccc(/C=N/CCCC/N=C/c2ccc(Cl)cc2)cc1 100969233 CWGFYCFZQFABTB-JFMUQQRKSA-N 333.262 5.312 30 40 EKEB CCCCCCCCOc1ccc(/N=C/c2ccc(O)cc2)cc1 101004821 CDDDUNMGHXGJLW-OQKWZONESA-N 325.452 5.882 30 40 EKEB CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)CO5 118918385 BDIOFUIBSDCUQC-QGZPSTLZSA-N 346.555 5.329 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(F)cc3)cc21 223492555 BPKDFCGDCVIRQB-ZVHZXABRSA-N 336.454 5.987 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C 409217602 QOMKFDNQGIZWDO-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCCCn1c(NCc2ccccc2O)nc2ccccc21 1789167 FQDFQYVFOVBOBV-UHFFFAOYSA-N 337.467 5.324 30 40 EKEB C/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccc2ccccc2c1 4881101 NGKCFRMQBUVORU-XQNSMLJCSA-N 347.487 5.167 30 40 EKEB Fc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1F 4921777 CBDMUBFEVSUOGR-QPSGOUHRSA-N 334.675 5.083 30 40 EKEB CCCCCCCOc1ccc(-c2ncc(CCCC)cn2)cc1 100074458 QHENCFGRJREZKQ-UHFFFAOYSA-N 326.484 5.835 30 40 EKEB COc1ccc(O)c(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c1 104212153 PWIQVDVXSMHYPT-BZROTZBESA-N 331.375 5.567 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 408754503 NRRSKOIYGQLUOD-HZHRSRAPSA-N 348.515 6.129 30 40 EKEB COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1Cl)CC2 480597 VLTCRRWZBODPMY-MDWZMJQESA-N 333.214 5.215 30 40 EKEB O=C1/C(=C\c2ccco2)CC(c2ccccc2)C/C1=C\c1ccco1 1465346 NHMQLLNWBPNUOX-KPNKYRRCSA-N 330.383 5.486 30 40 EKEB C/C(=N\Nc1cc(C(=O)O)ccc1Cl)c1ccc2ccccc2c1 4933539 LMTDAFKDWBQONV-CIAFOILYSA-N 338.794 5.028 30 40 EKEB Clc1ccc(/C=N/NCc2c(Cl)cccc2Cl)c(Cl)c1 9195740 ASAOQMBRLLFIKK-FBCYGCLPSA-N 348.060 5.424 30 40 EKEB N#Cc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 21474229 CLMXOVKPGONYGP-UHFFFAOYSA-N 341.233 5.111 30 40 EKEB CCCCCCCCCCC/C=C/C(C)(C)/C=C/CCCC(=O)O 33185492 AGKRHAILCPYNFH-VQZJLROISA-N 336.560 7.301 30 40 EKEB CCCCCCCCCCCCNC(=O)/C=C/c1ccc(OC)cc1 97941874 RTRCCWKMYONIMH-OBGWFSINSA-N 345.527 5.746 30 40 EKEB biogenic Cc1cccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)c1 408995498 JRWPPPONLIKIKF-BUVRLJJBSA-N 339.442 5.444 30 40 EKEB FC(F)(F)Oc1ccccc1C=Nc1cccc(C(F)(F)F)c1 575173146 OOXDXZKIQKXLDX-UHFFFAOYSA-N 333.231 5.355 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/C=C/c3ccccc3)c2C#N)C1 3666516 IVFVIKAGXCYQCC-FTTFRXLKSA-N 348.515 6.186 30 40 EKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1O 4975291 OPELZXOVPRCKHZ-RGVLZGJSSA-N 343.839 5.005 30 40 EKEB Clc1ccc(Sc2ccc(/C=N/c3ccccc3)s2)cc1 409013443 AAYLCCZICAXZIY-XDHOZWIPSA-N 329.877 6.303 30 40 EKEB CN(C)/C=C1\C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O 1386279 CZLNUOUWSSNILK-SICOMBFOSA-N 346.257 5.157 30 40 EKEB N#Cc1cccc(C[C@](O)(c2ccccc2)c2cccc3ccccc23)c1 1562871 WBNGYSIYXSSWEV-VWLOTQADSA-N 349.433 5.190 30 40 EKEB Cc1ccc(/N=C2\C(=O)N3c4c2cc(C)cc4[C@H](C)CC3(C)C)cc1 12631549 WXBLIYCIORBJER-GUYLDNPGSA-N 332.447 5.057 30 40 EKEB Cc1cc2c(cc1C)-c1nc3ccccc3cc1/C2=N\C1CCCCC1 13511793 ZPZFSFCFBASIQK-BZZOAKBMSA-N 340.470 6.002 30 40 EKEB Cc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1 33527321 TWRMGOAKLXTABH-VXLYETTFSA-N 327.840 5.218 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/C=C\c3ccccc3)c2C#N)C1 111074244 IVFVIKAGXCYQCC-NTICPOCESA-N 348.515 6.186 30 40 EKEB C=CCC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225942079 UWCQWYCTOWIVSR-UHFFFAOYSA-N 325.452 5.415 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 4281063 ATECRIWYJLOAAF-BDZBAJMUSA-N 343.430 6.641 30 40 EKEB N#CC(C#N)[C@H](CC(=O)c1cccs1)c1ccc(Cl)cc1Cl 4499423 YBIMFCCNPQYEND-ZDUSSCGKSA-N 349.242 5.075 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 8085110 DPXVZLFEZMDUSS-BUVRLJJBSA-N 333.406 5.718 30 40 EKEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccccc1Cl 26570136 FQVGRDZONROWFR-UHFFFAOYSA-O 341.887 5.594 30 40 EKEB CCCCCCCCOc1c(Cl)cc(/C=N\O)cc1OCC 408539608 IQAHFMDHQWTNEK-UYRXBGFRSA-N 327.852 5.286 30 40 EKEB C#CCOc1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OCC 409115391 MHVNJGMZOFLRJH-UHFFFAOYSA-N 349.474 5.000 30 40 EKEB COc1ccc(/N=C/c2cccc(-c3ccccc3)c2O)cc1Cl 1001719 JIQDRYKYMUWMQA-LPYMAVHISA-N 337.806 5.472 30 40 EKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(F)c1 4776166 DOHXKWZXZZOZKB-UHFFFAOYSA-N 348.402 5.101 30 40 EKEB CCOc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 5445275 CLPXYYKBOBWWJY-DJKKODMXSA-N 343.641 5.492 30 40 EKEB Clc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 15441583 SBDZXPDQNFHOLI-HYARGMPZSA-N 331.806 5.405 30 40 EKEB O=C(/C=C/c1ccccc1C(=O)O)c1ccc(C2CCCCC2)cc1 16448943 ZPIKEWOTSRWJRD-CCEZHUSRSA-N 334.415 5.329 30 40 EKEB N#Cc1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)c(Cl)c1 19357696 GCBFCZFVLHWVLZ-UHFFFAOYSA-N 345.185 5.099 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(N)cc2)cc1 59313651 PFFNUXBXLPYNDZ-UHFFFAOYSA-N 341.451 5.227 30 40 EKEB CCN1c2cc(C)c(/C=N/Nc3ccccc3)cc2C(C)=CC1(C)C 208510375 DNXFMDQCQWLPTL-HZHRSRAPSA-N 333.479 5.463 30 40 EKEB N#Cc1c(N)oc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1 408976299 QKKKSFSOSZUWFO-UHFFFAOYSA-N 336.394 5.734 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)cc1 409187320 OWLBDBCESGQKFS-IWIPYMOSSA-N 346.474 5.860 30 40 EKEB C=CCOc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1772372 LXZHYTYMRMDINJ-UHFFFAOYSA-N 344.366 5.303 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl 6761213 DXPYXYZXMBUBNX-UHFFFAOYSA-N 342.653 5.824 30 40 EKEB CCCCCCCCCCC[C@H](CC(=O)O)OCc1ccccc1 59034005 NDCDVTWILZGAIG-HXUWFJFHSA-N 334.500 5.967 30 40 EKEB in-vitro CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 198146752 RUJVTEOXZLJQAR-OEAKJJBVSA-N 347.462 5.027 30 40 EKEB Cc1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409238148 CIQPXHOCKPLNAX-MFKUBSTISA-N 342.417 5.888 30 40 EKEB Fc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409250717 RURPXNOTKFEBRT-QFEZKATASA-N 346.380 5.718 30 40 EKEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(ccc3ccccc13)N2 4930226 ZWIUXDJIDNSKJP-OAQYLSRUSA-N 343.401 5.543 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(SC)cc2)cc1 44843316 OFFZJKUNDXZSKO-BUHFOSPRSA-N 341.476 5.396 30 40 EKEB C=CCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 75144656 AXBSMDQASBYIQO-KRWDZBQOSA-N 338.451 5.095 30 40 EKEB CCCCCCCCCCCCCCCCN1C[C@H]2CCCC[C@@H]2C1 104377607 JSXFTQNDPFTADO-DNQXCXABSA-N 349.647 7.590 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C 198100692 IDDMCQZVLOBGHQ-YQCVNYCESA-N 336.479 5.563 30 40 EKEB O/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216811595 JPSOPAAFFKYZRA-WSVATBPTSA-N 330.598 5.034 30 40 EKEB C=CCOc1ccc(Br)cc1CNc1ccccc1CC 409120601 UOURNKFOMQENTP-UHFFFAOYSA-N 346.268 5.188 30 40 EKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C#N)C1 485048 IXBBUWGNUHTEJP-GFCCVEGCSA-N 332.513 5.145 30 40 EKEB C=C(C)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586223 WJVPAATZFXZXAM-UHFFFAOYSA-N 332.355 5.161 30 40 EKEB biogenic COc1cccc(/N=C(/N)SC(c2ccccc2)c2ccccc2)c1 7666358 XARJKKRNIPVZCE-UHFFFAOYSA-N 348.471 5.164 30 40 EKEB CCCCCCC/C=C/C(=O)NCCSCCC1CCCCC1 14233833 VBASXFRSUKLSST-SDNWHVSQSA-N 339.589 5.723 30 40 EKEB in-vitro CCOc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O 44835985 GFTGEBUKEQTTFN-HZHRSRAPSA-N 347.414 5.121 30 40 EKEB O=C(/C=C/c1c(F)cccc1Cl)c1cccc(Br)c1 71977124 RQFZXXBGKUWJGK-BQYQJAHWSA-N 339.591 5.138 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 260562700 BINMLZAZTJMPFW-JNCAFBRLSA-N 340.898 6.203 30 40 EKEB COc1ccccc1/N=C/c1ccc(Sc2ccc(C)cc2)cc1 409240857 QFVZFMLKTSVVNB-PXLXIMEGSA-N 333.456 5.905 30 40 EKEB FC(F)Oc1ccc(N/C(S)=N\C2CCCCCCC2)cc1 3255487 QGMPAVYYIUZMAZ-UHFFFAOYSA-N 328.428 5.099 30 40 EKEB CCCC(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1cccc(C)c1 4099385 XCKZONVWLZTCCR-QMHWDSPHSA-N 337.452 5.336 30 40 EKEB O=C1/C(=C/c2ccccc2)CC[C@H]2[C@@H]1CC[C@H]1c3ccccc3CC[C@@H]12 4529720 DIYWYRFFWACTFY-YKJQRKLWSA-N 342.482 5.805 30 40 EKEB CCN(CC#N)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1 4559132 NKIBJAPDPOJTJE-QZQOTICOSA-N 333.222 5.759 30 40 EKEB Clc1ccc(/C=N\OCc2ccc(Cl)c(Cl)c2)cc1Cl 4769072 UDXQLSHYGDDOTA-GXHLCREISA-N 349.044 5.851 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 5511531 GLTVNVIHTHMZTN-QHHAFSJGSA-N 346.040 6.196 30 40 EKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 6048379 XMZHTNRNPVKDBZ-QPJJXVBHSA-N 345.147 5.908 30 40 EKEB COc1cc(Cl)c(C)cc1N/C=C/C(=O)c1ccc(C)c(C)c1 44844254 QEXAYLBMGZBCJQ-BQYQJAHWSA-N 329.827 5.082 30 40 EKEB CCCCCCCCCCCC[C@@H](CN(C)C)C(=O)c1ccccc1 104333528 MQMHFPBAIVWPAB-QFIPXVFZSA-N 345.571 6.358 30 40 EKEB CCCCOc1ccc(/C=N\Nc2ccc(Br)cc2)cc1 408600954 HRYNXYOCUKHJIH-UYRXBGFRSA-N 347.256 5.074 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\Cc3ccc(OC)cc3)c2C)cc1 408762324 DQHRFGDLWJBFSU-JLPGSUDCSA-N 346.474 5.284 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2cc(C)ccc2C)c1C 408967631 RHUWMLDJDOXXMN-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1 409203193 UZCBNMXLIWFUTE-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)C2 351940 DBYWPCBBWJUTBP-KZULUSFZSA-N 337.435 5.322 30 40 EKEB O=C(/C(=C/c1cccnc1)c1nc2ccccc2s1)c1ccccc1 5174751 SIGBFRXPDOWSDL-LGMDPLHJSA-N 342.423 5.115 30 40 EKEB N#Cc1ccc(COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 6044999 HHRSAYYUQICABJ-UHFFFAOYSA-N 343.470 5.605 30 40 EKEB CCN1c2ccc(/C=N/c3ccccc3OC)cc2[C@H](C)CC1(C)C 198094652 AQUXSRNZVQJPQS-LGVXEURYSA-N 336.479 5.558 30 40 EKEB CCOC=Nc1c(C#N)c(-c2ccccc2)cn1-c1ccc(Cl)cc1 245240916 VCDXVPHQCNBRQN-UHFFFAOYSA-N 349.821 5.366 30 40 EKEB CCCCCCCCCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2419035 AIDNCLNBRBSQBN-UHFFFAOYSA-N 344.890 5.927 30 40 EKEB C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC 4426727 SBRJFDJPIAPOCA-KAOXLYBCSA-N 335.491 5.186 30 40 EKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1S 12139494 IKZOTASCGKQWNX-UHFFFAOYSA-N 328.849 5.291 30 40 EKEB Cc1ccccc1N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 33733938 NNVIMNCTRAJFOP-ATHPHSJWSA-N 328.415 5.335 30 40 EKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)C1 408564345 YWQGLEDADDESIM-XZHRJIJLSA-N 340.294 6.095 30 40 EKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 409057613 HPSGWSXTMJFFQV-CCEZHUSRSA-N 349.817 5.941 30 40 EKEB COc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C 409208762 BXXQNZRTWIWNLC-GIJQJNRQSA-N 338.632 5.170 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(F)c2)cc1OC 409389138 ZLZXMNNKFNGTMP-OVMKCGGTSA-N 335.806 5.416 30 40 EKEB Cc1ccc(N2Cc3ccccc3Oc3cc(C#N)c(C#N)cc32)cc1 99540 CHSKUJWKIVVNLY-UHFFFAOYSA-N 337.382 5.182 30 40 EKEB Cc1cc(C)c(C2=CC(=O)C(c3c(C)cc(C)cc3C)=CC2=O)c(C)c1 1651906 VCVJQGLXBSXVHH-UHFFFAOYSA-N 344.454 5.156 30 40 EKEB C/C(=C\C(=O)c1ccc(C)cc1)Nc1ccc(Oc2ccccc2)cc1 32100404 CPLNVXREJSIPNV-FBMGVBCBSA-N 343.426 5.986 30 40 EKEB CCOc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 100384363 OMTYVEKILVCRAI-HZHRSRAPSA-N 342.398 5.644 30 40 EKEB C=CCC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C(F)(F)F)c1 225956719 VUECZNUWURZIQP-UHFFFAOYSA-N 343.389 5.281 30 40 EKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1O 409117841 ORAIGYVMFPRSOA-UHFFFAOYSA-N 331.843 5.093 30 40 EKEB C#CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C 409203665 ZVXNRCFLYZCIEL-OEAKJJBVSA-N 333.818 5.564 30 40 EKEB Cc1[nH]c2ccccc2c1/C=N/N=C(c1ccccc1)c1ccccc1 3250472 YSOISSMRKNGGHH-LFVJCYFKSA-N 337.426 5.348 30 40 EKEB CCCc1cc(Nc2ccccc2)n2c(nc3ccccc32)c1C#N 6564551 AFPXFXMRVRDJIK-UHFFFAOYSA-N 326.403 5.055 30 40 EKEB CCCCCCNc1nc(CCC)c2c(c1C#N)CC(C)(C)SC2 19706538 UTEJPANSVLTFBA-UHFFFAOYSA-N 345.556 5.466 30 40 EKEB COc1c(Cl)cc(Cl)cc1C(=O)/C=C\c1ccc(Cl)cc1 32152308 RPBAIWPSJUSOIP-DAXSKMNVSA-N 341.621 5.552 30 40 EKEB N#Cc1ccc(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 58213983 QVKONWNUDFECKX-NRFANRHFSA-N 349.886 6.234 30 40 EKEB CCCCCCCCCCCCCCCCNC(=O)NCCC 59895075 IJJXDYXCBPUKQZ-UHFFFAOYSA-N 326.569 6.177 30 40 EKEB CCCCCCCCC[C@H](CCCC)c1ccc(C(=O)CC)cc1 102978742 MDPMIKYIANJJEY-FQEVSTJZSA-N 330.556 7.694 30 40 EKEB F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 103531230 OIFVPOGZPDZZRO-IWQZZHSRSA-N 346.086 5.260 30 40 EKEB O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1nc2ccccc2o1 5605053 ACJPZAMGGKYCCY-DKOMLNGNSA-N 342.464 5.585 30 40 EKEB C[C@@H]1CCc2sc(NC(=O)c3cccc4ccccc34)c(C#N)c2C1 5919962 TVYMBOMENTWZLU-CYBMUJFWSA-N 346.455 5.150 30 40 EKEB O=C(/C=C/c1nc(-c2ccccc2)cs1)c1cc2ccccc2o1 60370842 IWIZAJHBJCJCRM-ZHACJKMWSA-N 331.396 5.452 30 40 EKEB COc1cccc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)c1 71800795 CHSDWIYNXPVSNV-VQHVLOKHSA-N 337.806 5.101 30 40 EKEB N#CCCSc1ccccc1NC(=O)Cc1cccc2ccccc12 95953469 LMJUGXWWVBUVCI-UHFFFAOYSA-N 346.455 5.027 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)cc1C 219818420 OYOIYOWXPCYLHU-IBGZPJMESA-N 339.504 5.463 30 40 EKEB Fc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 409213038 SBUNTJJJPWUAIU-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB CCCCC1CCC(Cc2ccc(-c3ccc(C#N)cc3)cc2)CC1 2055005 QPFQOLGVVWJEPX-UHFFFAOYSA-N 331.503 6.764 30 40 EKEB CC(C)(C)O/N=C\c1cc(NC(=S)c2ccccc2)ccc1Cl 5811798 LHSQNTXAIGVGEO-NDENLUEZSA-N 346.883 5.277 30 40 EKEB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)CCc2ccccc21 6566305 NPHCHRKNCBGLCF-LTGZKZEYSA-N 340.422 5.478 30 40 EKEB CCCCCCCCCCCNC(=O)c1ccc(Cl)c(Cl)c1 97941871 DGOAXYJIZLKPSU-UHFFFAOYSA-N 344.326 6.254 30 40 EKEB CCCCCCCCC/C(=N\O)c1ccc2ccc(C)nc2c1O 100935877 WRJPQZUOKIDKPA-RELWKKBWSA-N 328.456 5.568 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(F)cc3)cc2C(C)=CC1(C)C 198161318 MYLUWPQDCNIZQI-ZVHZXABRSA-N 336.454 5.907 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccccc3)cc21 208246578 OQULYCYENRQZJZ-KOUDTOEKSA-N 341.886 5.508 30 40 EKEB COc1ccc(Cl)cc1/N=C\c1ccc(N2CCCC2)c(C)c1 408844849 FKCNHOVEBUZAGA-BKUYFWCQSA-N 328.843 5.008 30 40 EKEB O=C(/C=C/c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 4322437 KCNFKYAMFRLHAM-SAPNQHFASA-N 338.450 5.467 30 40 EKEB CCCCCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 29749215 HKWQGALRNDJVOY-UHFFFAOYSA-N 344.499 5.048 30 40 EKEB O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccccc1 55120946 PIJDQZXVKRTRSX-CCEZHUSRSA-N 343.470 5.269 30 40 EKEB O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4377886 PNZSYMGEZQXESH-HKWRFOASSA-N 346.813 5.489 30 40 EKEB O=C(O/N=C1\CCCC\C1=C/c1ccccc1)c1ccc(Cl)cc1 6514175 RVMAFJBKFCVPEA-QCCCPLQBSA-N 339.822 5.510 30 40 EKEB C(=N/n1c2ccccc2c2ccccc21)\c1cnc(-c2ccccc2)nc1 13957154 MFRJXNYZZDEBHE-WGOQTCKBSA-N 348.409 5.134 30 40 EKEB CCCCCCC[C@H]1C[C@@H](OCC)O[C@H](CCCCCCC)O1 104338438 XPYMDCBCTBGJKN-ZCNNSNEGSA-N 328.537 6.202 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1 408587666 SZCXZMNSJCXVIB-UHFFFAOYSA-N 339.479 5.987 30 40 EKEB CCCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 6942595 AJDWYACTDGJPDC-OEAKJJBVSA-N 337.850 6.341 30 40 EKEB C=CCCC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358983 KZCDQKXOOCXCAU-UHFFFAOYSA-N 327.427 6.305 30 40 EKEB CCn1c2ccccc2c2cc(/C=C/C(=O)c3cccs3)ccc21 4117054 ADAFURAUUUCJFD-ZRDIBKRKSA-N 331.440 5.772 30 40 EKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5145152 RELHOQWWZLPAFQ-NVMNQCDNSA-N 344.769 5.050 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccs3)c2C#N)C1 17067371 GYZSWKSZHSCVSJ-WXYNYTDUSA-N 328.506 5.583 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C/c3ccc4ccccc4c3)cc21 17779758 IZGNKGROTVSFCZ-YZSQISJMSA-N 348.449 6.718 30 40 EKEB Cc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)o1 59483124 HVAPKSNJYCYAOW-HYARGMPZSA-N 327.387 5.191 30 40 EKEB CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 100003796 QSXYPHAWOSQCHP-MAEOIBBWSA-N 333.431 5.461 30 40 EKEB CCCc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 408753565 AWEJXAHIBAQYKN-XDHOZWIPSA-N 341.505 5.579 30 40 EKEB Cc1cc(C)c(/C=N/c2ccccc2C(=O)c2ccccc2)c(C)c1 5378740 SAYUEUKMRDTYDN-BUVRLJJBSA-N 327.427 5.593 30 40 EKEB CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1Cl 5953767 AWWQZUUWEVKZHF-WSDLNYQXSA-N 344.241 6.296 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 8368742 MWNMELHLRJIOOQ-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB Oc1ccc2ccccc2c1/C=N/Cc1c(O)ccc2ccccc12 12671689 FQPAVMLGOVHHFR-YDZHTSKRSA-N 327.383 5.023 30 40 EKEB in-vitro CCCCCC(=C/c1ccccc1)/C=N/Nc1nc2ccccc2[nH]1 35254184 BUMDOOLPQZSRQM-MXXLVYNCSA-N 332.451 5.625 30 40 EKEB CCCCCCCC/C=C/C=C/C=C\[C@@H]1O[C@H]1CCCC(=O)OC 85691242 YOAQIJHBMIIBJM-DUHAGCEXSA-N 334.500 5.516 30 40 EKEB C=CCCCCCCCCCSc1nnc2nc(C)cc(C)n12 94993246 WTQHVAINPGHSRP-UHFFFAOYSA-N 332.517 5.140 30 40 EKEB CCCCCCCCCCCCCCCCN1CNC(=S)NC1 97952157 AAWLVDRQCJWLBM-UHFFFAOYSA-N 341.609 5.162 30 40 EKEB CCCCCCCCCCCCCC/C(C)=N/Nc1ccccc1 97965556 IVKMHNNPQCDPCZ-XTQSDGFTSA-N 330.560 7.566 30 40 EKEB CCCCCCCCC[C@H](CCCCCCCC(=O)O)OC(C)C 100300777 PXGFSFTWBGIYOM-HXUWFJFHSA-N 342.564 6.736 30 40 EKEB COc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 408853010 YANDOXYLQQHWHK-MTJSOVHGSA-N 345.229 5.543 30 40 EKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(C)c1 409120722 SEQOVNQZSAKKOE-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB CCCOc1ccc(N/C=C/C(=O)c2cccc3ccccc23)cc1 409178003 KEFVLRLRLYJCNE-CCEZHUSRSA-N 331.415 5.437 30 40 EKEB COc1ccc2ccccc2c1/C=N/Nc1cc(C)nc2ccccc12 5006930 WNWNIYUYDUSSST-OEAKJJBVSA-N 341.414 5.151 30 40 EKEB C=C(C)C(=O)Oc1ccc(/N=N/c2ccc(OC)cc2)c2ccccc12 5225401 TXKKNEIHNDOZHF-GHVJWSGMSA-N 346.386 5.745 30 40 EKEB O=C(/C=C\c1ccc(F)cc1)c1ccccc1OCc1ccccc1 33376613 XIFOFPZBOLEZLQ-QINSGFPZSA-N 332.374 5.301 30 40 EKEB CCCCCCCCCCCCCCCC[N+]1(C)CCSCC1 95870334 WATKKNWHAVWBPK-UHFFFAOYSA-N 342.657 6.661 30 40 EKEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]21C 253617322 IVXCPPFOKIYBRE-MTIRTVRRSA-N 328.540 5.420 30 40 EKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Br)cc1 409104060 DBNGQOMHCFFRFA-VCHYOVAHSA-N 338.632 5.252 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 409236920 GXHVXYGOBZCFQD-HZHRSRAPSA-N 331.484 6.514 30 40 EKEB CCN(CC)c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 1885718 BYANVJKIKWPIDW-HKOYGPOVSA-N 328.459 5.950 30 40 EKEB N#Cc1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 2892502 CTFPAGMFLBKWLS-AWQFTUOYSA-N 335.259 5.556 30 40 EKEB C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C(C)C 4176927 SABFVQHSNHWNOI-CWBXHPNXSA-N 335.491 5.042 30 40 EKEB Cc1sc(NC(=O)c2ccc(Cc3ccccc3)cc2)c(C#N)c1C 5144850 ZQYCRHUTLAZWQA-UHFFFAOYSA-N 346.455 5.080 30 40 EKEB CCCCCCCCCCCCCCCCC/C=C/C(F)(F)F 103531020 MWYLTRCCSMARSF-VHEBQXMUSA-N 334.510 8.366 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O 247913170 LZGVQJDYLAUCGI-CNWYBHPASA-N 348.527 5.334 30 40 EKEB biogenic,in-vitro N#Cc1ccccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 409326619 MLHSDAIMVGMAID-ODLFYWEKSA-N 329.380 5.148 30 40 EKEB CC(C)n1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21 505482 MSGSKBKGZCUORG-LPYMAVHISA-N 329.403 5.227 30 40 EKEB Fc1c(F)c(F)c(O[C@@H](c2ccccc2)C(F)(F)F)c(F)c1F 2900631 TWGQUWLOTCBPPR-ZDUSSCGKSA-N 342.185 5.065 30 40 EKEB N#Cc1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCCC2 12360329 PGNHOGXLZUATQT-WSDLNYQXSA-N 332.428 5.108 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(F)c(C)c2)cc1 44843247 AONOKYGGUWHPKH-VAWYXSNFSA-N 327.399 5.122 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccccc2)c1C 408778106 AZIUITAJBFMQPL-LPYMAVHISA-N 338.838 5.507 30 40 EKEB CCCCCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 2434865 LZMORDHYFOWXFF-UHFFFAOYSA-N 334.423 5.210 30 40 EKEB Cc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)o1 4184789 OEHCKJORUWMPCD-GHRIWEEISA-N 329.355 5.153 30 40 EKEB CN1/C(=C/C=C2/CCc3ccccc3C2=O)C(C)(C)c2ccccc21 83314104 DTPLBBMEWNNVFO-WANMUPLOSA-N 329.443 5.053 30 40 EKEB O=C1/C(=C\c2c[nH]c3ccccc23)CC/C1=C/c1c[nH]c2ccccc12 114719 XWKQDPZDSGUBDK-NFLUSIDLSA-N 338.410 5.479 30 40 EKEB C[C@H](Cc1ccccc1)N(C)C1=C(CCC#N)C[C@H](C(C)(C)C)CC1 1581705 UGQCEMOXUIYELV-WIYYLYMNSA-N 338.539 5.953 30 40 EKEB CCCCCc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1 1668169 BDFSPYYFUIDBBV-UHFFFAOYSA-N 344.478 5.257 30 40 EKEB O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 6927880 BZPQYUZYHUZGKV-KHPPLWFESA-N 341.432 5.438 30 40 EKEB CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br 8084601 WIBWBPFKHJDDEY-XDHOZWIPSA-N 332.241 5.161 30 40 EKEB C=C(C)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 9422019 HNHBTEOLOGPCLA-UHFFFAOYSA-N 340.395 5.369 30 40 EKEB Clc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 10118785 AMNGDWOYJVYDCV-WSDLNYQXSA-N 345.229 5.377 30 40 EKEB CC(C)[C@@H]1CC[C@@H](C)/C(=C\C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 36056567 CDLMGTMYJCSWTE-FBWDHRNTSA-N 330.512 5.382 30 40 EKEB Fc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 59483149 PVQNTLSWSZYPQS-BUVRLJJBSA-N 341.389 5.429 30 40 EKEB Cc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c(C)s1 89582309 IHEIMGIMPCRYKV-UHFFFAOYSA-N 337.469 5.079 30 40 EKEB C[C@H]1/C(=N\O)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 100839893 IXJNSRRYDLWBGA-WFLZGYCFSA-N 349.261 5.235 30 40 EKEB CCCCCCCCCCCCOC(=O)C[N+]1(C)CCCCC1 104038650 NTHLLHAGORLLBS-UHFFFAOYSA-N 326.545 5.081 30 40 EKEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408738283 UATCCEAFMVFWHC-LPYMAVHISA-N 338.838 5.507 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(C)=O)c2)c1C 408968525 WSBPWYSEGGWBHJ-BUVRLJJBSA-N 344.458 5.610 30 40 EKEB Clc1ccc(/C=N\N=C\c2ccc(Cl)c(Cl)c2)cc1Cl 5159590 YBSMZQHLLSYRAG-NORIJPHCSA-N 346.044 5.753 30 40 EKEB CC(C)C1=CC(=Nc2ccc(Br)cc2)C=C(C(C)C)C1=O 5188229 SAHPHQBDFYWWQV-UHFFFAOYSA-N 346.268 5.269 30 40 EKEB CCCCCCC(=O)/C=C\c1cc(Cl)cc(Cl)c1OCOC 17107670 VMTNNDCMNUKHDE-HJWRWDBZSA-N 345.266 5.529 30 40 EKEB O=C1/C(=C\c2ccc(F)cc2)CCCCC/C1=C/c1ccc(F)cc1 33718712 ZWJIORJVLRDMLC-DJTQBEGKSA-N 338.397 5.965 30 40 EKEB CC(C)[C@H]1CC[C@@H](C)/C(=C/C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 36610868 CDLMGTMYJCSWTE-CVZSNGBOSA-N 330.512 5.382 30 40 EKEB CCCCCCCCOc1ccc(C(=O)NCc2ccccc2)cc1 408587179 RSUMYSLKKBJWJM-UHFFFAOYSA-N 339.479 5.356 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408740142 ITEFJRBLOWGFCD-LFVJCYFKSA-N 345.490 5.473 30 40 EKEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 409008832 LPCUHJHLQYGRRJ-LPYMAVHISA-N 337.350 5.013 30 40 EKEB Cc1ccc(-n2cccc2/C=N\c2ccccc2Cl)cc1Cl 409020748 STTIDZKYSKGIKU-MTJSOVHGSA-N 329.230 5.843 30 40 EKEB C=CCOc1ccc(CNc2cc(Cl)ccc2C)cc1OCC 409120506 WJYREYHUVMHPHZ-UHFFFAOYSA-N 331.843 5.224 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1C 409209889 JPXPGOADJHXIHW-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409213920 WFUPVENBQMDPGM-CIAFOILYSA-N 329.827 5.281 30 40 EKEB Oc1ccccc1/C=N/c1nc2c(s1)CCCCCCCCCC2 2213677 NUSJOJFCLYSOBY-RCCKNPSSSA-N 342.508 5.819 30 40 EKEB Cc1ccc(C(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 4849132 UQFQVNYQKMJJCT-UHFFFAOYSA-N 346.455 5.007 30 40 EKEB Cc1csc2sc(C(=O)/C=C/c3ccc(Cl)cc3)c(C)c12 5218862 JEQTYUGJBYNBMX-VMPITWQZSA-N 332.877 6.129 30 40 EKEB CC(=O)/C(=C\Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1 100068203 UBOPQGPKEILRNR-XAFFKLEKSA-N 341.414 6.144 30 40 EKEB Cc1ccc(/N=C/N(C)Sc2ccc(C(C)(C)C)cc2)c(C)c1 104196584 LOYWPTGGWAAHAF-KGENOOAVSA-N 326.509 5.900 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)c1 408752008 FIXUJHBPTOMZRR-MFKUBSTISA-N 339.442 5.701 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(OC)cc2)c1C 408965450 HMOBTRGXIBJUQT-HAHDFKILSA-N 332.447 5.416 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(C)c2)cc1OC 409375337 JGFOPYSVBIRKJV-YSRRJJCPSA-N 349.833 5.724 30 40 EKEB CCCc1ccc(-c2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 575358844 GPCCOVVBQXTZKS-WOJGMQOQSA-N 326.439 6.202 30 40 EKEB CSc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 5275139 CGRHEADOHHMQAF-NYYWCZLTSA-N 333.250 5.067 30 40 EKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccco1)Nc1cc3ccccc3cc12 5302925 ROJDAHAPADYHSV-JOCHJYFZSA-N 343.426 5.742 30 40 EKEB CCCCC1CCC(c2nc(C#N)c(NCc3cccnc3)o2)CC1 27748668 DGGPTRBIRBQAAW-UHFFFAOYSA-N 338.455 5.017 30 40 EKEB O=C(/C=C/c1cccc2ccccc12)c1cccc(Br)c1 33632658 ZWVACMFFDRKAKQ-VAWYXSNFSA-N 337.216 5.498 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1c(C)cccc1C(C)C 219806410 QZUJNZRBYGZHHZ-UHFFFAOYSA-N 325.477 5.649 30 40 EKEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1cccc(Cl)c1 408761646 AHXIMRCWDRPVAW-XKZIYDEJSA-N 338.838 5.298 30 40 EKEB C#CCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl 409116898 NMHNQGCIWBVVCD-UHFFFAOYSA-N 334.246 5.180 30 40 EKEB O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1ccc(F)cc1 409177371 FVIIGPGAGBUFDD-CCEZHUSRSA-N 332.378 5.378 30 40 EKEB N#Cc1ccc(CSCc2csc(-c3cccs3)n2)cc1 12796550 ISSSYHJYASISHP-UHFFFAOYSA-N 328.487 5.177 30 40 EKEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C 118933847 GJPBKKSNBJBHEI-LFGUEBOJSA-N 336.466 5.029 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)cc1 408760988 BRWZLZZPVVVWEO-BUVRLJJBSA-N 327.431 5.279 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 409210101 DPVRRALQOZBHOO-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB Cc1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12 224389 DSNAIIJSCLJUAX-RGVLZGJSSA-N 340.220 5.367 30 40 EKEB O=[N+]([O-])c1cc(F)ccc1/N=C/c1c2ccccc2cc2ccccc12 4964249 BTBGLMNVBYSTPH-YDZHTSKRSA-N 344.345 5.791 30 40 EKEB N#Cc1c(/N=C/c2c[nH]nc2-c2ccccc2)sc2c1CCCCC2 5054396 ZTMXSRBWXIQJRO-WSDLNYQXSA-N 346.459 5.029 30 40 EKEB CCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 8084494 CCAFECKJGJWZJX-XDHOZWIPSA-N 332.241 5.161 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 8085095 IBQYUVXXSQSKMA-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB O=C1/C(=C\c2cccc(F)c2)[C@@H](c2ccccc2)Oc2ccccc21 96766961 XFKAWZFXULGSBV-PGPKDTDWSA-N 330.358 5.226 30 40 EKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccn1 409243498 XAEYBIGPDKCJRS-JJFYIABZSA-N 344.245 5.547 30 40 EKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#CCl 2049238450 WJYFACPYOCRQPX-AIGJGIFASA-N 334.931 5.350 30 40 EKEB N#Cc1cccc(C[C@@](O)(c2ccccc2)c2cccc3ccccc23)c1 2028864 WBNGYSIYXSSWEV-RUZDIDTESA-N 349.433 5.190 30 40 EKEB COc1ccc(C(C)=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 5464582 SSVUNLJDADFVRJ-UHFFFAOYSA-N 338.491 5.996 30 40 EKEB Clc1ccccc1CN/N=C/c1c2ccccc2cc2ccccc12 8811618 ZGJJFVFXFRPECC-MFKUBSTISA-N 344.845 5.770 30 40 EKEB CN(C)CCCCN1c2ccccc2Sc2ccc(N=[N+]=[N-])cc21 16958795 YNVQLTVBLZFJHB-UHFFFAOYSA-N 339.468 5.573 30 40 EKEB O=C(/C=C/Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 32100144 AVJCIWQSIBRMIT-CMDGGOBGSA-N 326.610 5.455 30 40 EKEB CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccc(C(=O)O)cc2)cc1 408933004 GMRFKJFSQNOIJH-HAHDFKILSA-N 346.430 5.224 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1Cl 409014632 XSILPJUUJYZGJJ-BPXUPMHTSA-N 338.234 5.627 30 40 EKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Cl)cc3)nc1-2 409045815 IEOHWPIWRODLHH-JMIUGGIZSA-N 340.835 5.127 30 40 EKEB CCOc1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 65097 KVQQCVMZEXAZNH-LFVJCYFKSA-N 342.442 5.964 30 40 EKEB CN(C)CCC[C@@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 2193156 XPGZGKIYXGNBEM-HNNXBMFYSA-N 344.911 5.440 30 40 EKEB N#CCCn1cc(-c2csc(-c3ccsc3)n2)c2ccccc21 8102726 GMIASCJWZMOLNG-UHFFFAOYSA-N 335.457 5.407 30 40 EKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 8116640 FFTLIWOKDDFSHD-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB CC(=O)/C(=C\Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 100068232 HMLQPPDYDWEYNE-XQNSMLJCSA-N 343.426 5.308 30 40 EKEB O=[N+]([O-])c1ccc(N/N=C(\N=N/c2ccccc2)c2ccccc2)cc1 104165662 GDFUXTMRKPSXDG-HREGSMEMSA-N 345.362 5.152 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OC 409111906 DVRIOCBPKYNHEK-UHFFFAOYSA-N 331.843 5.006 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)cc1 409188366 YPSOWKSVEUBGAH-UCQKPKSFSA-N 336.410 5.383 30 40 EKEB O=C(O/N=C1/CCCC/C1=C\c1ccccc1)c1ccc(Cl)cc1 5887938 RVMAFJBKFCVPEA-WZBLNXIKSA-N 339.822 5.510 30 40 EKEB CCOc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5900656 QVXACPBXLYIXGS-HMAPJEAMSA-N 342.394 5.369 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1 6554242 VGHOXCKNVVOEDE-WSDLNYQXSA-N 347.805 5.340 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 8371985 KJRPOCDIWAOGPA-HYARGMPZSA-N 346.386 5.233 30 40 EKEB C=CCOc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 36080665 XARGCSGHPKLANJ-QTEQDKRBSA-N 345.442 5.281 30 40 EKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2Cl)cc1 51318846 YXOZLDDVKNIOEQ-MDZDMXLPSA-N 336.218 5.201 30 40 EKEB CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC 95851714 MURWRBWZIMXKGC-UHFFFAOYSA-N 334.456 5.161 30 40 EKEB CCCCCCCCCCCCNC(=O)Nc1ccc(CC)cc1 104143883 CDKVLHUOBKLHMU-UHFFFAOYSA-N 332.532 6.291 30 40 EKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#CCl 118914836 WJYFACPYOCRQPX-GCOKGBOCSA-N 334.931 5.350 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408692254 IOEQLHVAWBBMOV-OUKQBFOZSA-N 329.443 5.607 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Cl 409010375 CJRCGSCRRNXKCJ-XHEYCZLTSA-N 332.787 5.176 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)cc2)cc1 409247279 MABFKWJEFNFELE-STZFKDTASA-N 348.427 5.805 30 40 EKEB C=C[C@@](C)(O)CC[C@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C 3979073 WCNCDVQMEQJFGH-TZWCSUAMSA-N 348.527 5.044 30 40 EKEB Cc1cc(SCCc2ccccc2)n2c(nc3ccccc32)c1C#N 5454714 ZKOYEGXSZMBNGY-UHFFFAOYSA-N 343.455 5.002 30 40 EKEB Cc1ccc(N/C(S)=N/[C@@H](Cc2ccccc2)c2ccccc2)cc1 5553165 UKGHNQDETUXFIM-NRFANRHFSA-N 346.499 5.677 30 40 EKEB CC1CCC(=NN2C(=O)c3ccccc3NC23CCC(C)CC3)CC1 5867929 UHGNTNPIANCEIO-UHFFFAOYSA-N 339.483 5.027 30 40 EKEB Cc1ccc(/N=C2\C=Cc3noc4c3c2c(O)c2ccccc24)cc1 17159526 XZHGCZCHFHQSKR-CJLVFECKSA-N 326.355 5.143 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(C)s4)ccc3o2)cc1 100384148 KRBMXZSZTFLEMJ-CIAFOILYSA-N 332.428 5.924 30 40 EKEB Cc1c(/C=N/c2ccccc2)c2ccccn2c1/C=N/c1ccccc1 101631635 XOZNNGQSTHWRHN-MUPYBJATSA-N 337.426 5.749 30 40 EKEB COc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C 198148925 XYUXHXBMYMONJC-OEAKJJBVSA-N 334.463 5.386 30 40 EKEB CC(C)(C)C1=CC(=NOCc2ccccc2)C=C(C(C)(C)C)C1=O 980063 QEQOIDQNNXDLOB-UHFFFAOYSA-N 325.452 5.087 30 40 EKEB CCOc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1O 3333755 RQROQEKVISLUGU-PXLXIMEGSA-N 333.387 5.334 30 40 EKEB CCCCCCCCCCCCNC(=O)c1cc(OC)cc(OC)c1 102065186 JVVNXRPYBOJPFN-UHFFFAOYSA-N 349.515 5.355 30 40 EKEB C[C@H]1CCC[C@@H]1/C(=N\c1ccc(Cl)c(Cl)c1)N1CCCCC1 104090348 IMPYITBOWWOOET-QARARTDJSA-N 339.310 5.946 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc(O)c4)cc3)sc2c1 225533 YQOJCLZCRUMDRW-LPYMAVHISA-N 344.439 5.728 30 40 EKEB CC(C)(C)C1=CC(=Nc2nc3ccccc3[nH]2)C=C(C(C)(C)C)C1=O 4725942 FJOBVVZFWWHEQC-UHFFFAOYSA-N 335.451 5.163 30 40 EKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1 5720418 OCBFZUSKAVGNRT-DTQAZKPQSA-N 344.410 5.170 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1 40477029 LCJIHHMYHUBAEU-IFRROFPPSA-N 334.124 5.468 30 40 EKEB COc1ccc(N/C=C2\C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 100363648 AMEKIKUAIQBPMS-PHCAOYFPSA-N 341.410 5.019 30 40 EKEB CCCCCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 100566253 CBVMBGBNSIHUEE-UHFFFAOYSA-N 337.385 6.160 30 40 EKEB O=C1/C(=C\c2c[nH]c3ccccc23)CC/C1=C\c1c[nH]c2ccccc12 114716 XWKQDPZDSGUBDK-UKVBVZPVSA-N 338.410 5.479 30 40 EKEB O=C1C(=O)/C(=C\c2ccccc2)CCCCCC/C1=C/c1ccccc1 1662243 GPQZWIGTGCTQJK-SVJWQLCWSA-N 344.454 5.646 30 40 EKEB C=CCSC1=N[C@H](c2ccccc2Cl)C=C(c2ccccc2)N1 3671416 ZKVQSMOBYYTFQF-SFHVURJKSA-N 340.879 5.301 30 40 EKEB CC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 6050209 DBOQVHHRBVTNIU-QGOAFFKASA-N 338.194 5.128 30 40 EKEB COc1ccc(/C=N/c2cccc(/N=C/c3ccc(OC)cc3)c2)cc1 16215976 HZFREKWDCDDERB-DFEHQXHXSA-N 344.414 5.205 30 40 EKEB CCCCCCCCCCS(=O)(=O)CCCCCCCCCC 100083985 VXDCCDLGCOFZBL-UHFFFAOYSA-N 346.621 6.683 30 40 EKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1 408738040 MJHVEWQMVMFGLY-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB CCOc1ccccc1/N=C\c1ccc(O[C@@H](C)CC)c(Cl)c1 409016305 TUEQYHZVDJVYDP-DTHVTWRFSA-N 331.843 5.667 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OC 4670824 OVLUUQVQKMFZMK-UHFFFAOYSA-N 338.234 5.179 30 40 EKEB CCCCCCCCCCCCCCCCCCNc1ccccc1 78015108 UEKWTIYPDJLSKK-UHFFFAOYSA-N 345.615 8.360 30 40 EKEB Cc1ccc(-c2csc3ncnc(SCCCC#N)c23)cc1 7234088 BSPACTABTNPLTK-UHFFFAOYSA-N 325.462 5.063 30 40 EKEB CC1=Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 7496263 RXSSXSQCWRJWML-SFHVURJKSA-N 344.458 5.729 30 40 EKEB CCCCCCCCCCCCCCCCN1C=CC(=CN=O)C=C1 100480733 AUFXLGAHNYXCPW-UHFFFAOYSA-N 346.559 7.461 30 40 EKEB Cc1ccc(C)c(/N=C2/c3ccccc3-c3nc4ccccc4cc32)c1 100673090 YKGWWTVVWGHCGC-LCUIJRPUSA-N 334.422 6.001 30 40 EKEB CC(C)COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408937384 QNAWYNQUKAGGQK-JJFYIABZSA-N 336.357 5.186 30 40 EKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCC 409116027 LDSFWUVRBMNXCP-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB Fc1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1 4039984 HQMQRYDTESVACP-DJKKODMXSA-N 331.803 5.049 30 40 EKEB Cc1ccc(C)c(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 100116520 AJFHLDPRRUSUAT-LPYMAVHISA-N 347.418 5.370 30 40 EKEB CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525557 XUFPCAMLAPZMPS-UHFFFAOYSA-N 332.250 6.205 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=S)OC 104161387 SGECOFXATPPNNW-UHFFFAOYSA-N 343.621 6.769 30 40 EKEB CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)CO5 118918386 BDIOFUIBSDCUQC-RHCGTSLQSA-N 346.555 5.329 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(F)c2)cc1 408585646 GUPUDAZABGEVIL-UHFFFAOYSA-N 343.442 5.817 30 40 EKEB CCOc1cc(Cl)cc(/C=N/c2ccccc2[C@H](C)CC)c1O 569016 ODMBEAFHFHHVBY-LNOXHEFASA-N 331.843 5.708 30 40 EKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C#N)C1 998333 DIEZAPPUKZHQSI-LBPRGKRZSA-N 342.464 5.006 30 40 EKEB Cc1ccccc1-c1nc(-c2cn(CCC#N)c3ccccc23)cs1 7278967 NOTVXBQEPDPOHS-UHFFFAOYSA-N 343.455 5.654 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)ccc1C 219810972 MDYYSRVQBNHXAS-INIZCTEOSA-N 325.477 5.073 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 409200332 HTMLZCRCMPNSKT-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB Cc1ccc2[nH]c3c(c2c1)SC(C)(C)C/C3=N\N=C\c1ccccc1 537711 WDSXXDPBOXDAHL-LLHJEQANSA-N 347.487 5.574 30 40 EKEB O/N=C(\c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 8656020 XLKFPTSFBIEJHV-ZNLOWLRUSA-N 340.637 5.629 30 40 EKEB C=CCc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 16903946 SYRXUHNDEQUDST-LBPRGKRZSA-N 342.826 5.093 30 40 EKEB biogenic CCc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 23119209 VACKDMPTFBEQJO-UHFFFAOYSA-N 325.774 5.205 30 40 EKEB CCCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 2203827 NTDQVFUOXMKLOL-UHFFFAOYSA-N 345.490 6.407 30 40 EKEB c1ccc([C@@H]2O[C@H]2[C@@]2(c3ccccc3)Nc3ccccc3S2)cc1 3071001 ZEUYIQIOKFNOJX-HBMCJLEFSA-N 331.440 5.197 30 40 EKEB Cc1cc(-c2oc(N)c(C#N)c2-c2cc(C)sc2C)c(C)s1 4785101 PGNGJYRCLRHTPG-UHFFFAOYSA-N 328.462 5.424 30 40 EKEB S=C(NCc1ccccc1)NN=C1CCCCCCCCCCC1 6475139 MXOXIRHURAKQJG-UHFFFAOYSA-N 345.556 5.311 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 8084980 LPSNBEYAUJMRCX-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)cc1 18062025 YWMVXLSSSKJXMI-CPNJWEJPSA-N 331.257 5.046 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1 18128012 MHVRYHFVOKXUDT-AIBKJFCZSA-N 342.398 5.237 30 40 EKEB CCCCCCCc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 100305031 ABKMOVOIYWOPMD-UHFFFAOYSA-N 338.447 5.356 30 40 EKEB CCCCCCCCCCCCCCC[C@@H]1CCC[C@H]2CCCC[C@H]12 104145437 KAPWPCCFMBDURV-UBFVSLLYSA-N 348.659 9.074 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 408691674 LEPPKPDHIIROHE-PKNBQFBNSA-N 347.370 5.368 30 40 EKEB CCOc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 361361 PWFDZLHOGRCMTG-HZHRSRAPSA-N 342.398 5.644 30 40 EKEB COc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 12339536 LBUIGFCPSGJSAD-QFXGEWDLSA-N 342.394 5.095 30 40 EKEB CCCCCCCCCCC[C@H](CC(=O)OC)OCc1ccccc1 72399425 DSQRYVDYSWWRDB-OAQYLSRUSA-N 348.527 6.056 30 40 EKEB in-vitro Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C 409199122 BHGFKHQONUUCOT-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1O 4024985 ZAFATSGLGPFVPK-UHFFFAOYSA-N 341.197 5.300 30 40 EKEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 4802127 SQRBBVVZRKZEPF-OWNQEUAMSA-N 340.507 5.130 30 40 EKEB biogenic,in-vitro CC(C)(C)N[C@H](C1=CC(C)(C)c2ccccc2C1=O)c1ccccc1 5459950 UAZPYFWXSMGWHR-FQEVSTJZSA-N 333.475 5.216 30 40 EKEB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1cccs1 6472989 JJTCKTGUIHZNHG-HWKANZROSA-N 349.238 6.211 30 40 EKEB CCCCCCCCCCCCCCCC[C@@H]1CCc2ccccc21 100306832 QMGOXEWNQKNUQO-HSZRJFAPSA-N 342.611 8.588 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1Cl 409110147 SKMGYLNBAJYOFY-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB COc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 8116679 JAPOKEVXISKGDU-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB N#Cc1ccc(-c2sc3nc(-c4ccccc4)ccc3c2N)cc1 9970609 HRKKZFZTNUMYEC-UHFFFAOYSA-N 327.412 5.084 30 40 EKEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C(\C)c1ccccc1 12651926 CWZHXNXJIFCDGG-PCLIKHOPSA-N 342.446 5.017 30 40 EKEB CCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@H](O)C2)c(O)c1 82185118 HNMJDLVMIUDJNH-MJGOQNOKSA-N 332.528 6.049 30 40 EKEB Oc1ccc2ccccc2c1/C=N\c1cccc(Br)c1 96006210 IFCQGLWWMCKCFN-ODLFYWEKSA-N 326.193 5.059 30 40 EKEB CC(C)N(CCON=C1CCCCC/C1=C\c1ccccc1)C(C)C 299888726 VIHOHTOSUXOBSD-RHRKZKCTSA-N 342.527 5.526 30 40 EKEB O/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409045357 GMGHIGIWHWOIJM-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB Oc1ccc(/N=C/c2cccc(Cl)c2)cc1-c1nc2ccccc2o1 353057 GUWUNXXWEZRXMD-WSDLNYQXSA-N 348.789 5.604 30 40 EKEB Cc1ccc(/N=N/C(=N\Nc2ccc(C)cc2)c2ccccc2)cc1 5003901 PZISOKZWPDKAKI-WQQFVFIJSA-N 328.419 5.861 30 40 EKEB Fc1ccc(/N=C(\S)SCc2ccc(Cl)cc2)c(F)c1 6512360 FCPMLRQSISMPEB-UHFFFAOYSA-N 329.824 5.469 30 40 EKEB C=C(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 8570603 GBNGQYPRVVRAJD-UHFFFAOYSA-N 336.218 5.201 30 40 EKEB CCCCCCCCCCCC(=O)c1cc(OCCCC)ccc1O 100922050 BNDCGFXWRZESPF-UHFFFAOYSA-N 348.527 6.675 30 40 EKEB CC(C)Oc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O 409393089 UYUQHZLEFGRXOC-UHFFFAOYSA-N 342.394 5.090 30 40 EKEB Clc1cccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1 484837 WFMQCBFLUGNYHH-WSDLNYQXSA-N 333.778 5.294 30 40 EKEB CC(C)(C)O/N=C/c1cc(NC(=S)c2ccccc2)ccc1Cl 5713887 LHSQNTXAIGVGEO-UDWIEESQSA-N 346.883 5.277 30 40 EKEB CC(=O)c1cccc(/N=C\C=C2\C=C(c3ccccc3)OC(C)(C)O2)c1 85881174 JXYGEADZRMSNEQ-FALHINMVSA-N 347.414 5.299 30 40 EKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCC2 98001584 XPAVNCUJRWZCSI-UHFFFAOYSA-N 346.540 5.968 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc21 223498154 MGOUVWNPQCEACH-IWIPYMOSSA-N 347.506 5.443 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(O)cc3)cc21 223503002 JDEYEPGVNODTJN-ZVHZXABRSA-N 348.490 5.862 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)c1 408758271 HYQBQMQBXDTAPW-XKZIYDEJSA-N 347.418 5.370 30 40 EKEB CCOc1cccc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408960119 CAEIIOATLUWQDJ-XKZIYDEJSA-N 349.386 5.103 30 40 EKEB CCCCCCCCNc1nc(Cl)nc(NC2CCCCC2)n1 3182843 IWUZYGXJDGDDJB-UHFFFAOYSA-N 339.915 5.042 30 40 EKEB CCOc1cc(Cl)cc(/C=N/c2ccc3ccccc3c2)c1O 6892265 HZTLWTDXKUTHAR-CIAFOILYSA-N 325.795 5.348 30 40 EKEB O=C1/C(=C/c2ccc(Br)cc2)CCCc2ccccc21 12368728 MKLUVKHXILPJIR-NTCAYCPXSA-N 327.221 5.052 30 40 EKEB CCCCCCN(CCC#N)c1ccc(Br)cc1Cl 95915832 GGNBTASMVOBPLA-UHFFFAOYSA-N 343.696 5.403 30 40 EKEB COc1cccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408760282 WBLVOQBIHQKIJR-LPYMAVHISA-N 338.838 5.507 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OC 409375738 OPEIKQWFZWTOCR-STCDJXRXSA-N 331.843 5.585 30 40 EKEB Cc1ccccc1-c1nc2cc(/N=C/c3cccc(C)c3O)ccc2o1 318211 SXTOPAUFPLDWEU-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4O)c(C)c3)nc2c1 344785 OJTNKZXGLKXKPM-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB Clc1sc(/C=N/c2ccc3ccccc3c2)c(Cl)c1Cl 522764 GZVRPBMDGJIHOO-UFWORHAWSA-N 340.662 6.612 30 40 EKEB CCCCCCCCC1[C@@](C)(c2ccccc2)C[C@@]1(C)c1ccccc1 1597252 QORQBLPMUTXIGN-NXMIGULDSA-N 348.574 7.673 30 40 EKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1C(C)C 9879497 XCMXHSXHCZDHDI-YDZHTSKRSA-N 339.870 5.308 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccccc3)cc1)C2 100102539 YSVPQKBLRHAGKG-ZVHZXABRSA-N 326.443 5.574 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)c(C)c1 100505846 CROPTNVAXLPJHP-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C 165167400 MWLYXLDZTCIJED-ZVHZXABRSA-N 334.438 5.855 30 40 EKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCC 409120032 SMHAVUFNAXEXOA-UHFFFAOYSA-N 325.452 5.133 30 40 EKEB COc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)cc1 4176783 MHSSASSWLPJGFN-UXBLZVDNSA-N 337.806 5.101 30 40 EKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccccc1 5485038 CPSIOMMKTXWBEV-FQEVSTJZSA-N 335.472 5.589 30 40 EKEB CC/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 5901197 VNCKDUGXWVOQTD-FYJGNVAPSA-N 333.222 5.096 30 40 EKEB CC[C@H](C)n1cc(/C=N/OCc2ccccc2C#N)c2ccccc21 408595015 JVTDTIKFYMBZFJ-OHHQFBAHSA-N 331.419 5.035 30 40 EKEB c1ccc([C@@H]2O[C@@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 4277136 ZEUYIQIOKFNOJX-PCCBWWKXSA-N 331.440 5.197 30 40 EKEB O=C(Nc1cccc(Cl)c1)[C@H]1CCC/C1=N/c1cccc(Cl)c1 17381159 AGXFOJPZNKUIGM-SEPJKUCUSA-N 347.245 5.505 30 40 EKEB CCCCCCCCCCCCCCCCCCS(=O)(=O)O 59173181 CACRRXGTWZXOAU-UHFFFAOYSA-N 334.566 6.136 30 40 EKEB in-vitro Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1Br 408959688 DGGKKEMHEPZAFG-MOSHPQCFSA-N 343.268 5.108 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 6338244 VKIFSEDRBKPUIM-NTCAYCPXSA-N 328.411 5.470 30 40 EKEB Cc1cccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O 6816109 IMUPYQGRSQPELF-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CCCCCCCCCCCCCCCCCCOCCCN 100309566 GWOUPOJUVSKJCH-UHFFFAOYSA-N 327.597 6.613 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl 409010342 JWVYYMXOSRZHCN-OVMKCGGTSA-N 336.262 6.230 30 40 EKEB O=C(/C=C/Sc1ccc(F)cc1Cl)c1ccc(Cl)cc1 2389170 GRXMPAOZYWYRJE-BQYQJAHWSA-N 327.207 5.621 30 40 EKEB C=C1SC(Nc2ccc(OC(F)(F)F)cc2)=NC1(CC)CC 2562117 AGQOXWCRBYPEFU-UHFFFAOYSA-N 330.375 5.172 30 40 EKEB O/C(CCCc1c[nH]c2ccccc12)=N\c1ccc2ccccc2c1 3314590 HJBRHIIDJGRZBL-UHFFFAOYSA-N 328.415 5.932 30 40 EKEB C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC 4652798 XLHFFKXZZVJLIA-PIAWWSJMSA-N 349.518 5.432 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OCC 6959819 KDLBVTQYKMIVNE-UHFFFAOYSA-N 335.806 5.055 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc21 17108189 XJXKYJZMBUHFHM-HYARGMPZSA-N 343.386 5.473 30 40 EKEB CCCc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)sc1C 40150593 NHOCKOIGHQFTFU-INIZCTEOSA-N 334.444 5.047 30 40 EKEB CC(=O)Nc1ccc2c(c1)/C(=N\c1cccc(C)c1)c1ccccc1-2 102801909 CKMSWANDVYFCMW-GYHWCHFESA-N 326.399 5.103 30 40 EKEB CCOc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 103748940 BYPDOXLWJSOBLU-FYJGNVAPSA-N 325.795 5.749 30 40 EKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408620526 JVMKNORDXOZTCF-VAWYXSNFSA-N 335.834 5.644 30 40 EKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(CC)cc2)c1C 408758057 GFGVQFMYKIEAOJ-JLPGSUDCSA-N 346.474 5.806 30 40 EKEB COc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1Cl 408961754 VGNJWJJYLFSUMV-FYJGNVAPSA-N 328.843 5.008 30 40 EKEB Cc1cc(C#N)c(C)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2637997 LNJKHQVTANGCIP-UHFFFAOYSA-N 332.247 5.003 30 40 EKEB Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21 4710529 YCCUVPNLORHUTM-GOSISDBHSA-N 346.455 5.169 30 40 EKEB Cc1ccccc1/N=C1/NC(=O)S/C1=C\c1ccc(Cl)cc1 5756124 LHRQBIBEYBESRM-GDNBJRDFSA-N 328.824 5.176 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 8368670 YSYFCJYUBYBNEL-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCCCCCCCCCCCC(=O)N[C@H](C)C(=O)O 8689972 NRBFOSKZAWRBJI-QGZVFWFLSA-N 327.509 5.057 30 40 EKEB CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)C 104110066 TUVXPFGBAXGSOG-UHFFFAOYSA-O 341.604 5.290 30 40 EKEB N#Cc1cn(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc12 226362306 HHVDEVVYXCZPEB-SOFGYWHQSA-N 341.197 5.173 30 40 EKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCCC 409114395 HDHRBSHOLVPLHW-UHFFFAOYSA-N 339.479 5.523 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C)c1C 2677094 RCDIUKGDWWXQSV-DQRAZIAOSA-N 334.488 5.560 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 100133871 OIGCCNRYPMGGSX-CCEZHUSRSA-N 330.431 5.211 30 40 EKEB CC1=Nc2ccccc2/C1=N\Nc1cc(C(F)(F)F)ccc1Cl 100845045 RXQBUGWFCGJHRN-HAHDFKILSA-N 337.732 5.281 30 40 EKEB CCCCCCCCCCCC[C@@H](C)[N+](C)(C)Cc1ccccc1 103683760 BZLRKHIFCAUPPQ-JOCHJYFZSA-N 332.596 6.963 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1C 409214648 ZBJGAPSXWSYLHS-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1 4023623 UWJKYQVLHFRRED-MDWZMJQESA-N 327.383 5.226 30 40 EKEB biogenic CC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O 5523078 GNSCNLFELWNPIU-BSYVCWPDSA-N 345.398 5.030 30 40 EKEB COc1ccc(Cl)c(N/C=C/C(=O)c2cccc3ccccc23)c1 16215306 AHMHYVOUUIGXRT-VAWYXSNFSA-N 337.806 5.310 30 40 EKEB COc1ccc(-c2c(C#N)c(N)nc(-c3ccccc3)c2C(C)C)cc1 19832539 UFSFBMBWWNZIAF-UHFFFAOYSA-N 343.430 5.001 30 40 EKEB Cc1cc(C)c2c(c1)/C(=N/c1ccccc1)c1cc3ccccc3nc1-2 103922155 KXSLOYHVRYVSLC-BZZOAKBMSA-N 334.422 6.001 30 40 EKEB O=C(/C=C\c1c(F)cccc1Cl)c1cccc(Br)c1 210286818 RQFZXXBGKUWJGK-FPLPWBNLSA-N 339.591 5.138 30 40 EKEB CCCCCCCCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1 299888448 JWMSIRWJOWLGNS-UHFFFAOYSA-N 348.490 6.438 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C 408742209 VAQOSNHNPNQQTN-BUVRLJJBSA-N 345.490 5.528 30 40 EKEB O=C(O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1O 132711 PNRNTTFWUOSIFJ-YDZHTSKRSA-N 341.366 5.147 30 40 EKEB COC(=O)c1ccccc1/N=C/C(C)(C)C=C=C(C)CCC=C(C)C 2258882 UVBTYKFCZFINAA-XQNSMLJCSA-N 339.479 6.050 30 40 EKEB N#Cc1cc(-c2ccccc2)cnc1Oc1ccc(Cl)c(Cl)c1 3133105 SGIRGFMSXGTZDN-UHFFFAOYSA-N 341.197 5.719 30 40 EKEB Brc1cccc(/C=N/Nc2ccc3ccccc3c2)c1 5605130 PGNCUPRHXQWYRD-XDHOZWIPSA-N 325.209 5.048 30 40 EKEB Cc1ccc(-c2nc(S[C@H](C)C#N)[nH]c2-c2ccc(C)cc2)cc1 6622078 UUMQDZYHDXXNJZ-OAHLLOKOSA-N 333.460 5.365 30 40 EKEB CCCn1c(/N=C(\O)c2ccc(C(F)(F)F)cc2)nc2ccccc21 15979782 LXSKVAHDIGSDMN-UHFFFAOYSA-N 347.340 5.101 30 40 EKEB Cc1ccc(/N=C2/N=C(Nc3ccc(C)cc3)c3ccccc32)cc1 16291593 XAZXXOCBZOOGQQ-UHFFFAOYSA-N 325.415 5.254 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3cc(C)ccc3C)c2C)cc1 408759710 KDXCNCNECWSGDR-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB CCOC(=O)c1ccc(/N=C/c2c(OCC)ccc3ccccc23)cc1 131335 CPOPNSPXEXENIA-HZHRSRAPSA-N 347.414 5.166 30 40 EKEB Cc1cc(Nc2cccc3ccccc23)n2c(nc3ccccc32)c1C#N 183142 DZWOZMSHKADDKY-UHFFFAOYSA-N 348.409 5.564 30 40 EKEB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1cc2ccccc2o1 5446757 CFIJAYMCFDXJFY-PKNBQFBNSA-N 332.330 5.728 30 40 EKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OC 6959159 CRUIWPFIXFDOKR-KEBDBYFISA-N 338.234 5.460 30 40 EKEB C[C@@H](/N=C(O)/C=C/c1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 103771763 NWAJCNWYMSTERC-KXHRRXJOSA-N 348.284 5.244 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408776538 PBFRUJQIAYRLNB-JZCUADNKSA-N 348.465 6.497 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2)cc1Cl 409016164 SPWXZUMADRKUEG-LNOXHEFASA-N 345.826 5.055 30 40 EKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(F)cc1 409054599 TXLLWJJUXHGSIV-FYJGNVAPSA-N 325.412 5.094 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2054960 NCDHAYMSBDKDST-SRZZPIQSSA-N 330.214 6.312 30 40 EKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cccc([N+](=O)[O-])c2)c1 4547090 PDXPKVBKYBKSDK-VXLYETTFSA-N 332.787 5.002 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 6880853 MPHSTCBPQXKGAJ-HAVVHWLPSA-N 331.415 6.018 30 40 EKEB Cc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461370 BQDOLZDFJFHQQL-XENGFHBVSA-N 336.416 5.185 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(-c3ccccc3)cc1)C2 101417704 AOWSCJKKFKCUOW-GJMZIDIYSA-N 347.458 5.713 30 40 EKEB CCCCCCCCCCCCCCCCC/C=C\C(F)(F)F 575330446 MWYLTRCCSMARSF-HNENSFHCSA-N 334.510 8.366 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 50080 KKAWIZLSBGNQBZ-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB O=C1C=C(C(F)(F)F)c2ccc(NC3CCCCC3)c3cccc1c23 266366 WGRODSVWOMDGKF-UHFFFAOYSA-N 345.364 5.726 30 40 EKEB CC(=O)Oc1ccccc1/N=C/c1sc2ccccc2c1Cl 503668 VOQDHKZYSOAHGJ-VXLYETTFSA-N 329.808 5.231 30 40 EKEB CCCCCCCc1ccc(-c2noc(-c3ccc(CC)cc3)n2)cc1 3022783 NPSFGIAPRRSRQI-UHFFFAOYSA-N 348.490 6.479 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3cccc(C(=O)O)c3)cc2)cc1 409233927 URNHNBZUBJQVLU-HYARGMPZSA-N 347.439 5.595 30 40 EKEB Clc1ccc(CC/N=C/c2cc3ccccc3nc2Cl)cc1 3445891 XBTJARJLGDQFFO-CIAFOILYSA-N 329.230 5.203 30 40 EKEB Cc1cc(N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2n1 5006936 CNCCRQZATQHXBT-KEBDBYFISA-N 330.218 5.296 30 40 EKEB Cc1cc(Nc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N 18271038 HTIYAFHNCYRKMS-UHFFFAOYSA-N 332.794 5.065 30 40 EKEB CCN(CC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 45190148 HADKPWNXMPVUTG-UHFFFAOYSA-N 327.431 5.133 30 40 EKEB Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 59104931 JJENMGIMMYDKGE-HYARGMPZSA-N 337.854 5.256 30 40 EKEB Brc1ccc(N=C(c2ccccc2)c2ccccc2)cc1 71618268 QJXSMIWPAKJPCU-UHFFFAOYSA-N 336.232 5.618 30 40 EKEB CCCCCCCCCCCCOC(=O)C[N+](C)(CCC)CCC 100923611 GQSWESWHWZNPLS-UHFFFAOYSA-N 342.588 5.717 30 40 EKEB N#Cc1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 37104 BCISGWNGZNMZBV-VXLYETTFSA-N 345.265 5.012 30 40 EKEB CC1(C)C[C@@](CC/N=C/c2ccccc2)(Cc2ccccc2)CCO1 2281867 LNVBUCUMDVWOPT-KBICDOOXSA-N 335.491 5.314 30 40 EKEB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935111 KMGUZSMFRZSYPE-VABCHXRSSA-N 342.523 5.216 30 40 EKEB C=CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl 408607216 JYCZYKZRWZKFIM-UHFFFAOYSA-N 342.653 5.824 30 40 EKEB O=C1/C(=C\c2ccc(Cl)cc2)CC[C@@H]1CNc1ccc(Cl)cc1 1625969 JOAUFDHOAGJLJG-QKXCFHHRSA-N 346.257 5.468 30 40 EKEB CC(C)[C@](C#N)(CCCN(C)CCc1ccccc1)c1ccccc1 2558953 DWAWDSVKAUWFHC-HSZRJFAPSA-N 334.507 5.059 30 40 EKEB endogenous,in-man CCCCC(=O)C1=C(Nc2cccc3ccccc23)CC(C)(C)CC1=O 4406331 WUTQDDMLIQWNRO-UHFFFAOYSA-N 349.474 5.654 30 40 EKEB O=C(Nc1ccccc1)Oc1cccc(/C=N/Sc2ccccc2)c1 17062364 CELRASNWIFSQGW-RCCKNPSSSA-N 348.427 5.424 30 40 EKEB CCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 97941846 SSMWNVQHAMDODO-UHFFFAOYSA-N 332.513 5.578 30 40 EKEB CCCCCCCCC[C@@H](CCCC)c1ccc(C(=O)CC)cc1 102978740 MDPMIKYIANJJEY-HXUWFJFHSA-N 330.556 7.694 30 40 EKEB CCc1ccccc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408962903 VWAWQTHMWLIJBC-LPYMAVHISA-N 333.387 5.266 30 40 EKEB Cc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 35009 QCEHOGQBJLVNHB-QHCPKHFHSA-N 340.426 5.217 30 40 EKEB CO/N=C(/CSCc1cccc(Cl)c1)c1ccc(Cl)cc1 5526062 QBLJFMMRNJLOOO-MNDPQUGUSA-N 340.275 5.277 30 40 EKEB O=C(/C=C\c1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1 33378791 VSUQVHMGSVGZBO-AUWJEWJLSA-N 342.825 6.543 30 40 EKEB Cc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1Cl 33741902 VKJAQQQFJXLRLC-WSDLNYQXSA-N 330.834 5.447 30 40 EKEB O=C(/C=C/c1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 71977167 IGDDEQWGDCYQML-BUHFOSPRSA-N 336.793 6.042 30 40 EKEB CCCCCCCCNCc1ccccc1OCc1ccc(F)cc1 101352082 CAHMXOGVSVJISG-UHFFFAOYSA-N 343.486 5.855 30 40 EKEB ON(/C(=N/c1cccc2ccccc12)c1ccccc1)c1ccccc1 104117989 JZWFXBRYIXDYRQ-WCWDXBQESA-N 338.410 5.814 30 40 EKEB COc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C 198077003 VWKUZFRSCIIJNL-YQCVNYCESA-N 336.479 5.476 30 40 EKEB CCCCOC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 408848457 ZENOFPFAGHZAGA-HAHDFKILSA-N 348.446 5.194 30 40 EKEB S[C@]12CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 3893918 NHPGGMMMZYRZIW-ZVDOUQERSA-N 338.541 6.374 30 40 EKEB C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1cccc(C#N)c1)C1CC1 59578192 NXMHCYYYZWMZEG-CQSZACIVSA-N 344.380 5.303 30 40 EKEB CCCCCCCOc1ccc(C(=O)c2ccnc3ccccc23)cc1 100171880 LZPWJGUAONRORI-UHFFFAOYSA-N 347.458 5.815 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3O)cc21 223620568 KZKPFFJXPRYPKS-IKTNTUJMSA-N 342.870 5.518 30 40 EKEB COc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409209736 IELFCZBUYVFKSQ-GIJQJNRQSA-N 338.632 5.170 30 40 EKEB Cc1cc(O)c(/C=N/c2cc(C(C)(C)C)ccc2O)c(C)c1Cl 295887 HYJHRTXIZSNSGC-UFFVCSGVSA-N 331.843 5.416 30 40 EKEB Cc1ccc(C(=O)/C=C(\CC(=O)c2ccccc2)c2ccccc2)cc1 4369266 UJEOYHZLFAXKKH-OQKWZONESA-N 340.422 5.534 30 40 EKEB Cc1ccc2cc(/C=C/C(=O)c3ccc(F)cc3)c(Cl)nc2c1 65532328 CDXSYLOOLKKTNU-RMKNXTFCSA-N 325.770 5.232 30 40 EKEB O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1c1ccccc1 100327246 USPOXDNSVVNQGP-QOCHGBHMSA-N 332.790 5.139 30 40 EKEB Fc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409020918 VROBXKIBALZGGJ-UDWIEESQSA-N 343.199 5.130 30 40 EKEB Oc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409102631 DTBKRDGLYOOSDG-BKUYFWCQSA-N 339.847 5.947 30 40 EKEB C#CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 409196593 QDSWIZPBNUZOSI-UHFFFAOYSA-N 340.637 5.271 30 40 EKEB N#Cc1ccccc1Oc1ncnc2sc(-c3ccccc3)cc12 2628503 PAKQTWQPLSRRLX-UHFFFAOYSA-N 329.384 5.022 30 40 EKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 4363648 OVHRUOGVDAYSLN-KGENOOAVSA-N 349.459 5.129 30 40 EKEB FC(F)Oc1ccccc1/C=N/CCC12CC3CC(CC(C3)C1)C2 5445222 XEJMNJSJCJDMDJ-YDZHTSKRSA-N 333.422 5.313 30 40 EKEB Clc1cccc(Cl)c1/N=C/Nc1c(Cl)cccc1Cl 5756684 MCUQYHVQSBXSHU-UHFFFAOYSA-N 334.033 6.072 30 40 EKEB CCCCCCCCCN/C=C1/Sc2ccc(OCC)cc2C1=O 100167780 NVKLGYRCNCRPED-XDJHFCHBSA-N 347.524 5.555 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc([N+](=O)[O-])c3)c2C)cc1 408738030 ICJLNNFUYMCHSR-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 28293988 FJFKBWVAKKBPJP-YBFXNURJSA-N 326.739 5.259 30 40 EKEB CCCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 100013147 FHBINTVHEPGITB-UHFFFAOYSA-N 340.467 5.179 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(-c2ccccc2)cc1 101470451 DQULDOGMEUBTTQ-UHFFFAOYSA-N 336.519 7.457 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C\c3ccc(N(C)C)cc3)cc21 104201765 PVAFATHGNWXDDS-JLPGSUDCSA-N 341.458 5.631 30 40 EKEB Fc1ccc(COc2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 3112618 DAGIGYCWPGGGGI-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB COc1ccc(C(=O)/C=C/c2cc3ccc(C)cc3nc2Cl)cc1 4178956 CUUBGNVRGLJXDQ-JXMROGBWSA-N 337.806 5.101 30 40 EKEB Clc1ccc(-c2csc(N/N=C/c3ccco3)n2)c(Cl)c1 5054315 XSKCOAUCRQODPF-REZTVBANSA-N 338.219 5.156 30 40 EKEB CCOc1ccccc1/C=N/Nc1c2ccccc2nc2ccccc12 13284012 XXZKBVJPGXDRJP-HZHRSRAPSA-N 341.414 5.233 30 40 EKEB CC(C)[C@]1(C)CC[C@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O 13764367 GGHFMFVEFSJANJ-AGSYNLEESA-N 325.279 6.038 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCOC 104129134 QVSXZMYXFFUFEW-ZHACJKMWSA-N 339.564 5.787 30 40 EKEB CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 408859635 VUZYQGKVFNPCPU-HAVVHWLPSA-N 347.462 5.083 30 40 EKEB Clc1ccc(/N=C/c2ccc(OC3CSC3)cc2)c(Cl)c1 51338 CLJBNVZGHLXILK-UFWORHAWSA-N 338.259 5.238 30 40 EKEB N#Cc1ncc(C(F)(F)F)cc1Sc1cccc(C(F)(F)F)c1 3047572 GFTBDUZBKJHVEW-UHFFFAOYSA-N 348.271 5.142 30 40 EKEB CC(C)[C@@](C#N)(CCCN(C)CCc1ccccc1)c1ccccc1 4213659 DWAWDSVKAUWFHC-QHCPKHFHSA-N 334.507 5.059 30 40 EKEB endogenous,in-man Cc1ccc2nc(N/N=C/c3ccccc3)nc(-c3ccccc3)c2c1 4995931 IVULPGNTHVXZOV-HZHRSRAPSA-N 338.414 5.051 30 40 EKEB CCCCCCCCCCCCCC(=O)OCCC[C@@H]1CCCO1 100304483 HPOCEXVOKFHKAC-FQEVSTJZSA-N 340.548 6.190 30 40 EKEB CCCCCCCCNCc1ccccc1OCc1ccccc1 102562118 ZFKJWQQYYBSOAU-UHFFFAOYSA-N 325.496 5.716 30 40 EKEB CN1C(=O)C=C(/C=N\c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@H]21 104131906 OYSCKFIELWMGSV-DQPUHINBSA-N 344.458 5.013 30 40 EKEB Cc1ccc(-n2cccc2/C=N/c2ccc(F)cc2F)cc1Cl 409011452 NLJUFUOEPFIKJA-SSDVNMTOSA-N 330.765 5.468 30 40 EKEB Cc1cccc(/N=C\c2cccc(OCc3ccccc3F)c2)c1C 409202761 UPADXAWVAVTWMD-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB O/N=C1\CCC=CCCC=CCC[C@H]1Sc1nc2ccccc2o1 1559624530 ACJPZAMGGKYCCY-BNBARRKWSA-N 342.464 5.585 30 40 EKEB CCCCCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21 3128812 HBFJWLNFOWOXPF-SFHVURJKSA-N 339.479 5.142 30 40 EKEB CCS/C(=C(/c1ccccc1)[S+](CC)CC)c1ccccc1 4974503 IHYLKINALHZVEO-VXPUYCOJSA-N 329.554 5.924 30 40 EKEB O=C(/C=C/Sc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 8552990 WFMUVLVAVBQMMS-BQYQJAHWSA-N 343.757 5.243 30 40 EKEB CC(C)[C@@]1(C)CC[C@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O 100707921 GGHFMFVEFSJANJ-DPRSLYIMSA-N 325.279 6.038 30 40 EKEB CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OCC 103285898 DTEMJWLYSQBXEL-MBFZXKRTSA-N 330.512 6.471 30 40 EKEB in-vitro Cc1cc(C)c2c(-n3cccc3)c(-c3ccc(C#N)cc3)sc2n1 12446541 KJGNFOKRBNMSHI-UHFFFAOYSA-N 329.428 5.243 30 40 EKEB CCCCCCCCCCCCSCC(=O)NCc1ccccc1 100934622 DOWZOXJPLIRNIV-UHFFFAOYSA-N 349.584 5.957 30 40 EKEB C=C(C)C[C@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC 101261138 SBRJFDJPIAPOCA-LDVJMBRRSA-N 335.491 5.186 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C 408763102 RGUJARMBDYQLSH-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB O=C(/C=C\c1ccccc1)c1cccc(C(=O)/C=C\c2ccccc2)c1 4701169 KFLSRZNJOXWKIK-RYOQUFEFSA-N 338.406 5.479 30 40 EKEB CC(C)(C)c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 4869448 RCTXPHAFMQRCMD-YDZHTSKRSA-N 337.854 5.632 30 40 EKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccco1)Nc1cc3ccccc3cc12 5302916 ROJDAHAPADYHSV-QFIPXVFZSA-N 343.426 5.742 30 40 EKEB CCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCC2 8453954 ZMAHYMOYDHBMSU-UHFFFAOYSA-N 328.500 5.138 30 40 EKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 15221310 TWYBNKWJRLRNCS-CXUHLZMHSA-N 344.410 5.170 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3)cc1)C2 59501483 JNHDEAZBECPNEE-ZVHZXABRSA-N 326.443 5.574 30 40 EKEB CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1 59688042 QVLLTVALUYGYIX-UHFFFAOYSA-N 335.492 5.959 30 40 EKEB CC1(C)OC12[C@@H]1CC[C@@H]2c2c(Cl)c(Cl)c(Cl)c(Cl)c21 101049625 PFMYBKPRUIJMGV-PHDIDXHHSA-N 338.061 5.822 30 40 EKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCCC 409115699 SYAFUZADDVQEHL-UHFFFAOYSA-N 325.452 5.215 30 40 EKEB N#Cc1c(SCc2ccccc2)nc2c(c1C(F)(F)F)CCCC2 3180661 QDAGYVMIELMCRI-UHFFFAOYSA-N 348.393 5.143 30 40 EKEB C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C(C)C 4176935 SABFVQHSNHWNOI-WBADGQHESA-N 335.491 5.042 30 40 EKEB CCN(CC)c1ccc(/C=C/C(=O)c2c(O)ccc3ccccc23)cc1 8048263 OHUQICOBZVVQIE-RVDMUPIBSA-N 345.442 5.288 30 40 EKEB CCCC(=O)C1=C(Nc2ccccc2C)C[C@@H](c2ccccc2)CC1=O 340910 GRUJCUJXRBDWKL-GOSISDBHSA-N 347.458 5.177 30 40 EKEB N#Cc1ccccc1Oc1ncnc2scc(-c3ccccc3)c12 3333307 YEKSXZODJYWUSU-UHFFFAOYSA-N 329.384 5.022 30 40 EKEB C=CCOc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 14783712 RPAFEAFDNQORJM-UHFFFAOYSA-N 329.399 5.171 30 40 EKEB C=CCn1c(-c2ccccc2)cs/c1=N\c1c(C)cc(C)cc1C 16804907 JNGGGINWYDRMIW-DQRAZIAOSA-N 334.488 5.560 30 40 EKEB CC1(C)CC(/C=C/Nc2ccccc2)=C/C(=C/C=N/c2ccccc2)C1 44672318 JTEKENXRFZWTRU-LMEGWDGOSA-N 342.486 6.688 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(O)cc3)cc2[C@H](C)CC1(C)C 198100681 IDDMCQZVLOBGHQ-BRABVMKYSA-N 336.479 5.563 30 40 EKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC(C)C)c2C#N)C1 572759 JNBAXDBVAHLUMJ-CYBMUJFWSA-N 332.513 5.145 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(C)cc2)cc1Br 6941717 XSCGXMLNIAMAIZ-XDHOZWIPSA-N 332.241 5.297 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 8084996 CNNNTYBETUVWIZ-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1Cl 101091476 GLKGCIQOHNARFU-UHFFFAOYSA-N 345.829 5.825 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(Cl)cc1Cl)C2 101432926 REBJMFRQDKSDHF-TWQVEWNOSA-N 340.250 5.352 30 40 EKEB C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 176787 XSZFGZMXKLQXND-PXLXIMEGSA-N 343.455 5.220 30 40 EKEB Cc1sc(/N=C/c2ccc(Cl)cc2Cl)nc1-c1ccccc1 217722 PXODTRSIXZRWTH-KEBDBYFISA-N 347.270 6.176 30 40 EKEB Cc1cccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)c1 219437 UEFACVODSGQZJZ-LPYMAVHISA-N 328.371 5.259 30 40 EKEB biogenic COc1cccc(/C=N/c2ccc(/N=C/c3cccc(OC)c3)cc2)c1 524182 XDQOWALYIQMUOP-DFEHQXHXSA-N 344.414 5.205 30 40 EKEB Clc1cccc(N/N=C/C(Br)=C/c2ccccc2)c1 3225187 ADVKTOPFKMELMZ-SESDASBZSA-N 335.632 5.174 30 40 EKEB COc1ccc2ccccc2c1/C=N/Nc1ccc2ccccc2c1 5514570 BUKDTZVTJPKZOY-HZHRSRAPSA-N 326.399 5.448 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OC 6962283 WOIYYBIJEBZBSV-FYJGNVAPSA-N 345.826 5.063 30 40 EKEB O=C(/C=C\c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1 33376707 OKNNLFRSPKBEKD-UTCJRWHESA-N 327.594 5.249 30 40 EKEB COS(=O)(=O)CCCCCCCCCCCCc1ccccc1 95864987 PWNCJUAVRRJKNP-UHFFFAOYSA-N 340.529 5.106 30 40 EKEB O=C1/C(=C\c2cccc(F)c2)[C@H](c2ccccc2)Oc2ccccc21 96766962 XFKAWZFXULGSBV-SLTDHEAWSA-N 330.358 5.226 30 40 EKEB CCCCCCCCN(CCCCCCCC)C(=N)OCCCC 104355376 PVYGLNSQLZMYGK-UHFFFAOYSA-N 340.596 6.761 30 40 EKEB CCCCCC(/C=N\c1ccccc1C(=O)OC)=C\c1ccccc1 104367972 YQIWYASBSBXASC-LLULCAITSA-N 335.447 5.839 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408961357 RYJJGGKIOJEFAS-OEAKJJBVSA-N 345.398 5.023 30 40 EKEB COc1ccc2c(c1)CC/C(=C/c1ccc(Cl)cc1Cl)C2=O 104792 XKAFOAJDVIJIIV-JYRVWZFOSA-N 333.214 5.215 30 40 EKEB O=C1/C(=C\C=C(Cl)Cl)CCCC/C1=C\C=C(Cl)Cl 2295104 AYPVUMDHDQAJOI-VTBWALSUSA-N 326.050 5.620 30 40 EKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 3102054 ZEAQPPWIXDNTON-UHFFFAOYSA-N 331.418 6.559 30 40 EKEB CCc1cccc2c(C#N)cn(CCOc3cccc4ccccc34)c12 6945308 DYOTUEBWYRFIHQ-UHFFFAOYSA-N 340.426 5.308 30 40 EKEB C=CCN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 7044118 DAPZTLKETHWTFP-CPNJWEJPSA-N 345.423 5.215 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OC 409114711 PVXFMXMYMLUUJP-UHFFFAOYSA-N 337.463 5.217 30 40 EKEB FC(F)(F)Oc1ccccc1/C=N/c1cccc(C(F)(F)F)c1 165232 OOXDXZKIQKXLDX-LSFURLLWSA-N 333.231 5.355 30 40 EKEB CSC(=Nc1ccc(N=C(SC)SC)c(C)c1)SC 2179607 STVYRTATTHCUCO-UHFFFAOYSA-N 330.569 5.422 30 40 EKEB Clc1ccc(-c2ccc(/C=N\Nc3ccccc3)o2)cc1Cl 26686859 MMPPVVTTZHVPFY-JAIQZWGSSA-N 331.202 5.699 30 40 EKEB COc1ccc(Cl)cc1N/C=C/C(=O)c1cccc2ccccc12 409178735 MWPQHKQALXTDII-VAWYXSNFSA-N 337.806 5.310 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)c1 4738837 QMIYLAQKKPXLLZ-MFKUBSTISA-N 344.502 6.585 30 40 EKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCc1ccccc1Cl 96346545 IACPXOKJSCSGGB-HZPDHXFCSA-N 349.821 5.083 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)cc(C)cc1C 252669486 HROOVTWJIXXTMC-UHFFFAOYSA-N 348.515 5.869 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1 408692644 RMBQBDHYVGQLCX-OUKQBFOZSA-N 349.861 5.952 30 40 EKEB O=[N+]([O-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1Cl 587923 MJLPCFQIJFRZDF-UBKPWBPPSA-N 345.569 5.011 30 40 EKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccccc2)cc1 1561030 OHJLFHLWELUDDH-NTCAYCPXSA-N 336.431 5.459 30 40 EKEB C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C(C)C 4176918 SABFVQHSNHWNOI-GSPCLOLRSA-N 335.491 5.042 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccccc1OC(F)F 6049135 KVBYQYOIGYHPBL-SOFGYWHQSA-N 343.156 5.491 30 40 EKEB Cc1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1Cl 408955700 YOVJARYACFRNST-HYARGMPZSA-N 337.854 5.256 30 40 EKEB N#Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409097684 NUUDOTWPXZOOKW-OEAKJJBVSA-N 348.858 6.113 30 40 EKEB C=CCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C 409214485 XSYBIGFLOBGSIO-UDWIEESQSA-N 344.252 5.381 30 40 EKEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ccc3ccccc13)N2 4930204 AGKCPUFOQAUKHV-NRFANRHFSA-N 325.411 5.404 30 40 EKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc(F)c1 8371908 JFHHZJWAAONOCC-ZVHZXABRSA-N 349.405 5.472 30 40 EKEB COc1ccc(C(=O)/C=C(\C)Nc2ccc(Cl)cc2Cl)cc1 32100368 LOSDRCBMHJNRPH-PKNBQFBNSA-N 336.218 5.201 30 40 EKEB CCCCCCCCCCCCCCCC[C@@H]1CCCC/C1=N/O 100399351 URGCKECLMLWYMT-XSSWQJIQSA-N 337.592 7.878 30 40 EKEB O=C1CCCC/C1=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 104097849 OGVBXDNVGPIXMG-CMDGGOBGSA-N 337.263 5.163 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@@H](C)CC1(C)C 223541073 RSHWDLUDWNSPAB-SVTVQYSDSA-N 349.522 5.615 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)c1C 409200147 HEKFSCLCZHRBLV-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(O)cc2)c1C 1096948 JDSDCEKFHJTBLD-OEAKJJBVSA-N 332.447 5.421 30 40 EKEB Cc1ccc(-n2nc3ccc(/N=C/C=C/c4ccccc4)cc3n2)cc1 3024826 UVNJPGUGMPKZCU-NJXDKVMSSA-N 338.414 5.145 30 40 EKEB CCN(CC)c1ccc(/C=N/c2cccc3ccccc23)c(OC)c1 5311727 ITQGKEMSYCHXNU-XQNSMLJCSA-N 332.447 5.445 30 40 EKEB COc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242192 GJRZFTJOJWFVAX-PXLXIMEGSA-N 333.456 5.738 30 40 EKEB CCCCCCCCCCCCCCOC(=O)[C@H](C)OC(C)=O 104394539 GSUIFWVFZIMJEO-KRWDZBQOSA-N 328.493 5.182 30 40 EKEB N#Cc1cn(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c2ccccc12 226362312 GUQRIVNLEILTOH-SOFGYWHQSA-N 341.197 5.173 30 40 EKEB Cc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409101042 OWKOUXZOMDATIQ-HMAPJEAMSA-N 337.875 6.550 30 40 EKEB Fc1c(F)c(F)c(O[C@H](c2ccccc2)C(F)(F)F)c(F)c1F 2900632 TWGQUWLOTCBPPR-CYBMUJFWSA-N 342.185 5.065 30 40 EKEB CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(F)cc3)ccc21 4357329 MGRQJWJMIYVYLM-RIYZIHGNSA-N 343.401 5.850 30 40 EKEB N#C[C@@H]1[C@@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 4764420 VMCKZKAPFGYVEA-UEZCRDCJSA-N 328.459 5.493 30 40 EKEB CC[C@H](C)Nc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n12 12693289 XCZTUZVIGTYZGL-HNNXBMFYSA-N 348.494 5.467 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCOC[C@H](O)CO 85478953 NRWMBHYHFFGEEC-LCCNJJIFSA-N 342.564 5.394 30 40 EKEB CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(CC)cc3)cc2)CC1 100003411 VWBHMDVHVYVIAR-PEPAQOBHSA-N 330.515 6.723 30 40 EKEB CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(Cl)cc2)o1 101411361 QLWSTIRNFKOXLN-FYJGNVAPSA-N 344.846 5.159 30 40 EKEB CCOc1cc(C)c(/C=C2\Sc3ccccc3C2=O)cc1C(C)C 408846047 ONZLJMRJPRHLFR-NDENLUEZSA-N 338.472 5.847 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccc([N+](=O)[O-])cc2)c1C 408968374 WCRSQSDGNODTHM-HMAPJEAMSA-N 347.418 5.315 30 40 EKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)C2 100006268 AOWSCJKKFKCUOW-XVXSXYCZSA-N 347.458 5.713 30 40 EKEB CCCCCCCNCc1ccccc1OCc1ccc(F)cc1 102568292 VWODJXATNKJNGE-UHFFFAOYSA-N 329.459 5.465 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccccc3O)cc21 223495219 IZIOUZYEJDRYRH-UCQKPKSFSA-N 334.463 5.553 30 40 EKEB C=CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224638643 MSNZLMMVWDFCJA-UHFFFAOYSA-N 343.382 5.403 30 40 EKEB CCOc1ccc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 352799 GOTYLZJJTLKFNU-DEDYPNTBSA-N 336.347 5.004 30 40 EKEB CCOc1ccc2cc(/C=C/C(=O)c3ccccc3)c(Cl)nc2c1 4863057 YOYALZSVFSYMNW-PKNBQFBNSA-N 337.806 5.183 30 40 EKEB CCCCCCCCc1ccc(C(=O)CCN2CCCCC2)cc1 8214657 ODUILFNOMMYWTO-UHFFFAOYSA-N 329.528 5.648 30 40 EKEB in-man CC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 15223711 CPNVSWFGFPRHLC-OYKKKHCWSA-N 344.458 5.664 30 40 EKEB Clc1cccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)c1 15441590 SRIAHTSBIKMWAG-HYARGMPZSA-N 331.806 5.405 30 40 EKEB COc1ccc(/N=C\c2ccc(/C=N\c3ccc(OC)cc3)cc2)cc1 100441768 WHVPISQBOXRCHR-MPKYGIEOSA-N 344.414 5.205 30 40 EKEB c1ccc(N/N=C2/CCC[C@H]3/C(=N/Nc4ccccc4)CCC[C@H]23)cc1 104097819 QPWBQKFQGBTMQA-JNKMWVSASA-N 346.478 5.523 30 40 EKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCC 409116432 LTEAGXHUMUQHFY-UHFFFAOYSA-N 345.870 5.396 30 40 EKEB COc1ccc(Oc2ncc(-c3ccc(Cl)cc3)cc2C#N)cc1 1391866 VUPPEFJMTBSIEP-UHFFFAOYSA-N 336.778 5.075 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 4866085 GWWGFBTZFSDOAM-YRNVUSSQSA-N 332.786 6.136 30 40 EKEB O=C(Sc1ccc(Cl)cc1)C1=C(c2ccccc2)SCCO1 32104703 GEENGJNDYSRNFZ-UHFFFAOYSA-N 348.876 5.091 30 40 EKEB Cc1cc(N/N=C/c2ccc(-c3ccccc3F)o2)c2ccccc2n1 41127763 CRLJNWVMWSWOPK-YDZHTSKRSA-N 345.377 5.388 30 40 EKEB CCCCCCCCCCCC(=O)c1ccccc1OC(F)(F)F 101475691 IDYKFJBQKTWKGM-UHFFFAOYSA-N 344.417 6.689 30 40 EKEB CCCCCCCCc1c(C)nc(Nc2ccccc2OC)nc1O 103534799 BGQKBHGVQYRZGZ-UHFFFAOYSA-N 343.471 5.146 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C#N)cc2)c1C 143815073 WTZCPEQRSXXRAY-MFKUBSTISA-N 341.458 5.587 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3)c2C)cc1C 408739959 GZLGXYRDBKICGM-QRVIBDJDSA-N 336.866 6.115 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(F)c(Cl)c1 409228747 DNBUFYNVVDSHMV-LPYMAVHISA-N 346.833 5.229 30 40 EKEB COc1ccccc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 361134 AWHXSLWFMCOCEA-HYARGMPZSA-N 328.371 5.254 30 40 EKEB Cc1ccc(COc2cccc(/C=N/c3oc(C)c(C)c3C#N)c2)cc1 561459 DFPDSTCSTLIWHC-ZMOGYAJESA-N 344.414 5.406 30 40 EKEB CC(=O)c1cccc(/N=C/C=C2\C=C(c3ccccc3)OC(C)(C)O2)c1 2291942 JXYGEADZRMSNEQ-WCEDTRLTSA-N 347.414 5.299 30 40 EKEB O=[N+]([O-])c1cccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c1 12403661 WWRKYXPXQZJAGM-BKEKRWCUSA-N 330.347 5.761 30 40 EKEB CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC 85846674 ILUGNSBVAUHPIN-FQEVSTJZSA-N 342.564 6.172 30 40 EKEB C=CCNC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC 104109765 ADZPERKXQXVDFT-UXHICEINSA-N 337.548 5.537 30 40 EKEB CCCCCCCCCCCOC(=O)c1ccc2c(c1)nc(C)n2C 408732504 VXIIVIVXISWYOH-UHFFFAOYSA-N 344.499 5.569 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)cc1 408762714 QKQVBWFLQQNFLA-LFVJCYFKSA-N 330.475 5.970 30 40 EKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Nc3ccccc3)cc2)cc1 409180794 RQQOCIFFSRAJSU-WUKNDPDISA-N 342.442 5.801 30 40 EKEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(Cl)cc1 1466423 SEASQOUBARUBJW-UHFFFAOYSA-O 341.887 5.594 30 40 EKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)CC(C)(C)C)c1 3426943 SAPZOWFNXLEXKL-JZJYNLBNSA-N 332.513 5.081 30 40 EKEB COc1ccccc1N/N=C(\N=N\c1ccccc1)c1ccccc1 5027262 OJSNHVBHWDCCBP-VRUPRMQOSA-N 330.391 5.253 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1C 6941626 UCGVIILGTGHBLZ-UDWIEESQSA-N 346.268 5.605 30 40 EKEB Cc1ccccc1/N=C/c1ccccc1OCc1ccc(Cl)cc1 8570927 WXOGEODMJKRALH-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Clc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c(Cl)c1 13703903 YKPFOXXJYJZZGO-FSJBWODESA-N 338.237 6.315 30 40 EKEB in-vitro CCCCC/C=C/C/C=C/C[C@@H]1O[C@@H]1C/C=C/CCCC(=O)OC 15159790 XAOMBLXPIQCTNG-OPFRDBNUSA-N 334.500 5.516 30 40 EKEB COc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 100548247 MCYGTULKYCNEEG-JWZHWXDPSA-N 335.403 5.105 30 40 EKEB CCCCCCCCCC[C@H]([C@@H](O)c1ccccc1)N1CCCCC1 100689521 LWMQNQBOOGFMTA-PKTZIBPZSA-N 345.571 6.105 30 40 EKEB O=C(O)c1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 408931460 LXUFRJDVEJERDO-HAHDFKILSA-N 340.382 5.079 30 40 EKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCC 409110771 YKKPLISUNLOGLK-UHFFFAOYSA-N 339.479 5.387 30 40 EKEB N#Cc1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 2638949 UTLPRWQDUDWDGN-UHFFFAOYSA-N 342.423 5.414 30 40 EKEB COc1ccc2c(C)cc(N/N=C/c3cccc4ccccc34)nc2c1 5552763 GVRRAPUTANBYSC-OEAKJJBVSA-N 341.414 5.151 30 40 EKEB O/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 103860081 GVAHXZCYJUBKIJ-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB CCCCO/C(=N/c1ccccc1)N(c1ccccc1)c1ccccc1 104355421 RYFBMTLSFMYQKA-WCWDXBQESA-N 344.458 6.329 30 40 EKEB Cc1cc(C(F)(F)F)c(C#N)c(Sc2ccc(Cl)cc2)n1 1393117 CZNPNCGXLWWMJK-UHFFFAOYSA-N 328.746 5.085 30 40 EKEB CCCCCCCCCCCCCCSCC(=O)NCCCC 100934662 YFZQWYLKRDGRAU-UHFFFAOYSA-N 343.621 6.337 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl 409021231 ZHZXXDJTCVQIEZ-DZIKBWIISA-N 337.850 6.421 30 40 EKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccs2)c2ccccc21 2327430 PSQKUEXFFGOHPJ-HXUWFJFHSA-N 347.464 5.615 30 40 EKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 14067652 ONOPGQXQXDIKHV-UHFFFAOYSA-N 341.867 5.077 30 40 EKEB CC(C)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242122 WLTIARVWWHFAIF-LFVJCYFKSA-N 345.511 6.853 30 40 EKEB Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1 408741618 QZDCDAJIMJFFIS-DEDYPNTBSA-N 325.412 5.269 30 40 EKEB Cc1ccc(-n2cccc2/C=N/c2cccc(Cl)c2)cc1Cl 409015310 ZLPUFASDPMGCJH-CIAFOILYSA-N 329.230 5.843 30 40 EKEB O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 32100116 GCCMRWGYCYNLID-CCEZHUSRSA-N 349.817 5.941 30 40 EKEB CN/C(=N\c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 52530587 ZZQXKXTWRZSNGX-UHFFFAOYSA-N 346.274 5.022 30 40 EKEB CCCCCCCCCCCCCCCCCCCC[C@@H](C)CC 78420813 WCAGWYVPTZQWEN-DEOSSOPVSA-N 338.664 9.464 30 40 EKEB endogenous,in-man Brc1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 408852212 DJQQKWNSVKLLRZ-ZHZULCJRSA-N 343.268 5.190 30 40 EKEB O=C(/C=C\c1cccc(Cl)c1)c1ccc2ccc3ccccc3c2c1 33378790 ALSSJJSVZAXYOI-JYRVWZFOSA-N 342.825 6.543 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CCC(C)=O 35877869 RUJSTMILPJJENL-OOGRFIRCSA-N 330.556 6.881 30 40 EKEB Oc1c(C=Nc2cccc(Br)c2)ccc2ccccc12 260840618 NFTVASZWBBPDGV-UHFFFAOYSA-N 326.193 5.059 30 40 EKEB Fc1cccc(-c2ccc(/C=N\c3ccc(Cl)cc3Cl)o2)c1 409017665 VLXNUGIQYIIDJK-FBHDLOMBSA-N 334.177 6.143 30 40 EKEB C#CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1Cl 409116878 NJXHALDVNZCSKH-UHFFFAOYSA-N 334.246 5.180 30 40 EKEB CCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330162 DQYCIVFTHKZDJK-QXMHVHEDSA-N 336.335 6.906 30 40 EKEB CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1Br 2182792 OVTVLKIRQZPENA-CIAFOILYSA-N 344.296 6.447 30 40 EKEB N#Cc1cc(C(F)(F)F)ccc1Sc1cccc(Cl)c1Cl 3104750 UMBKWRTZRYOPFG-UHFFFAOYSA-N 348.176 6.035 30 40 EKEB Cc1cccc(/C=N/c2ccccc2/N=C/c2cccc(C)c2O)c1O 18252351 DNVUYVBRNCWGAK-RNIAWFEPSA-N 344.414 5.216 30 40 EKEB in-vitro CCCCCCCCCC[N+](C)(C)CCOC(=O)Nc1ccccc1 59042382 LZLUWKKEODZHGC-UHFFFAOYSA-O 349.539 5.452 30 40 EKEB CCc1ccc(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 67341103 WREGGVXRMCKBFE-HZHRSRAPSA-N 331.415 5.002 30 40 EKEB Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(-c2ccccc2Cl)o1 102956124 FJHPHXFDTKVBNW-RGVLZGJSSA-N 340.766 5.567 30 40 EKEB Cc1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409078496 IAVFTQYNBWZQQZ-MYYYXRDXSA-N 345.486 5.919 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2cccc(Cl)c2C)cc1 409211092 MUNNFJUORQGCGS-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB Cc1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409238034 JYFAAVQCPKOGAB-MFKUBSTISA-N 342.417 5.888 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\C/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367078 FVZOOJLCWIRRQE-YUEXDVLLSA-N 340.507 5.280 30 40 EKEB CCCCCCCCCCCCNC(=O)Nc1cccc(C)c1C 104143887 YDTQAKLGYGBKAA-UHFFFAOYSA-N 332.532 6.346 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223475690 LLFAOOUOHSBCSE-QGZVFWFLSA-N 339.504 5.381 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCC 409137463 XKYJWKGCVMJVPY-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB COc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1 523290 FLIZJZDSDJOCDF-HYARGMPZSA-N 333.435 5.301 30 40 EKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1 5541935 AWLPBZOQKHORAK-BUVRLJJBSA-N 345.442 5.642 30 40 EKEB CCc1cccc(CC)c1/N=C(\O)CCc1ncc(-c2ccccc2)o1 11470065 RLJJLHPRJZIGKA-UHFFFAOYSA-N 348.446 5.687 30 40 EKEB Cc1ccc(C(=O)/C(=C\c2ccc(C)o2)c2nc3ccccc3o2)cc1 12377897 DPBMDRCZDULOEI-QGOAFFKASA-N 343.382 5.461 30 40 EKEB CCO/C=N/c1c(C#N)c(-c2ccccc2)cn1-c1ccc(Cl)cc1 13410424 VCDXVPHQCNBRQN-OEAKJJBVSA-N 349.821 5.366 30 40 EKEB CCCCCCCCCCCCCCCC[C@@H](NC(C)=O)C(=O)O 78846898 CWDGHGHIHCDSCH-LJQANCHMSA-N 341.536 5.447 30 40 EKEB O=C1/C(=C/c2ccc(Sc3ccccn3)o2)Sc2ccccc21 408990268 KDPQRXVCOZEKQT-PTNGSMBKSA-N 337.425 5.155 30 40 EKEB Cc1ccccc1Oc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 409075315 QRWMDVQLLBFSMZ-FYJGNVAPSA-N 348.358 5.152 30 40 EKEB Cc1ccc(N=Nc2ccc(N/C=C3/CCC[C@@H](C)C3=O)cc2)cc1 409182283 JUASTGJOCKYFHD-WCNKBVKISA-N 333.435 6.095 30 40 EKEB Fc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1 6888685 SAZOMHLIPMHZDQ-QPSGOUHRSA-N 334.675 5.083 30 40 EKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)c1 100202921 WWRKYXPXQZJAGM-NJPMQTPOSA-N 330.347 5.761 30 40 EKEB CCCCCCCCCCCCCCCc1nc2ccccc2s1 100306353 ASSZNFRDAUDJKI-UHFFFAOYSA-N 345.596 7.930 30 40 EKEB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=N\Nc1ccccc1 409002439 ZYGSGPVYMFFODP-HAHDFKILSA-N 340.430 5.088 30 40 EKEB O=C(/C=C/Nc1cccc(Cl)c1Cl)c1cccc2ccccc12 409176319 KIKYIBHHYHXFKT-VAWYXSNFSA-N 342.225 5.955 30 40 EKEB CCCC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@@H](CCC)C1=O 1666349 XAYKGPNIVWPWTC-NZQKXSOJSA-N 334.459 5.127 30 40 EKEB CCOc1cccc(N/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 6223532 GCOKPLHWWNFVTM-CMDGGOBGSA-N 336.218 5.201 30 40 EKEB O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(F)cc1 6339635 GBOJEPGYRLIAKY-NTCAYCPXSA-N 332.374 5.301 30 40 EKEB CCCCCCCCCCCCCCCCC(=O)c1ccccn1 100166899 TXIKPQXLBKPGOF-UHFFFAOYSA-N 331.544 7.136 30 40 EKEB Cc1ccc(Oc2ccc(/N=C/c3cc(C)c(O)c(C)c3)cc2)cc1 6204901 YOPXSWSNDVTKSI-OEAKJJBVSA-N 331.415 5.860 30 40 EKEB Cc1ccc(/N=C2/c3ccccc3/C(=N/c3ccc(C)cc3)N2C)cc1 16739217 WCAMDLITABAIDT-HKOLQMFGSA-N 339.442 5.405 30 40 EKEB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1C#N 26786575 RVPKAUSSYLVHSU-UHFFFAOYSA-N 336.778 5.032 30 40 EKEB CCCCCCCCCCC/C(=N/O)c1ccc(O)c2ncccc12 73280017 HGVLSCJIZJAIFB-NMWGTECJSA-N 342.483 6.040 30 40 EKEB COc1ccc(/N=C/c2ccc(-c3cccc4ccccc34)o2)cc1 101007860 QXEPJRCKYCDAGI-HZHRSRAPSA-N 327.383 5.859 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408765090 KEGQRKFFLOPXMB-LEBHPONQSA-N 344.502 6.667 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl 408786760 NFMHJOLDNFZIPZ-FSJBWODESA-N 340.829 5.946 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 408933394 JGVPZMCNCGYBRB-CFRMEGHHSA-N 342.364 5.864 30 40 EKEB CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3OC)cc2)c1C 409105973 PUYVIMGVJGBUAU-HZHRSRAPSA-N 348.446 5.676 30 40 EKEB Fc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 409210451 ISEXDEOWSLHADB-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB Clc1cc(/N=C/c2c[nH]c3ccccc23)ccc1Br 297828 FKJNVCFBBHYMQG-QGMBQPNBSA-N 333.616 5.334 30 40 EKEB C=CCN1C(=O)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O 1015284 DAPZTLKETHWTFP-UYRXBGFRSA-N 345.423 5.215 30 40 EKEB C=CCn1c(SCc2ccccc2C)nnc1-c1cccc(C)c1 4357651 UOBGVLUBJTUDEK-UHFFFAOYSA-N 335.476 5.040 30 40 EKEB N#Cc1cc2c(nc1Oc1ccc(-c3ccccc3)cc1)CCCC2 24985265 KWMNWBBVWYZOFV-UHFFFAOYSA-N 326.399 5.291 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 100477277 MHVRYHFVOKXUDT-WDOSNKBOSA-N 342.398 5.237 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC 409213089 SFXHKTKBWANBOD-SRZZPIQSSA-N 348.229 5.073 30 40 EKEB Clc1ccc(CO/N=C/c2sc3ccccc3c2Cl)cc1 3104910 MPTWHMKEZNVPON-DJKKODMXSA-N 336.243 5.759 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl 6022268 XIKWJTDBNRPBMV-UHFFFAOYSA-N 342.653 5.824 30 40 EKEB O=C(/C=C/Nc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 6453105 KCPWWOLBSGKFQT-AATRIKPKSA-N 328.145 5.080 30 40 EKEB CCCCC1CCC(c2nc(C#N)c(NCc3ccco3)o2)CC1 8868423 SGVWBMIWJYKRRD-UHFFFAOYSA-N 327.428 5.215 30 40 EKEB Cc1ccc(/N=C2\C(=O)N3c4c2cc(C)cc4[C@@H](C)CC3(C)C)cc1 12631552 WXBLIYCIORBJER-BXPXOOBPSA-N 332.447 5.057 30 40 EKEB O/N=C1\C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 102056207 QWMMGJJMBIYAMK-XOVADIOBSA-N 342.442 5.076 30 40 EKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccccc2)c1C 408738933 QFGZFYJPOHTYFH-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408911702 NWWPYLLEPGDOHC-VAFVYZISSA-N 348.471 5.175 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C)cc2)c1C 408960852 OUJJCGPCBUKEEC-BUVRLJJBSA-N 330.475 6.024 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OC 409121386 WPGRKRZNCDAIJU-UHFFFAOYSA-N 331.843 5.088 30 40 EKEB O=C(/C=C/c1ccccc1)c1ccc(C(=O)/C=C/c2ccccc2)cc1 4011896 YDJKHVQLADEYIK-JYFOCSDGSA-N 338.406 5.479 30 40 EKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1 4834393 YYUIDCVCZJFGLU-PKNBQFBNSA-N 349.773 5.637 30 40 EKEB CCCCCCCCCCCCCCCCNC(=O)OC(C)C 100309895 UMMCTIRBSNSOIX-UHFFFAOYSA-N 327.553 6.602 30 40 EKEB Cc1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 102417470 NFIXTNHWCQZFJD-LPYMAVHISA-N 328.371 5.259 30 40 EKEB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C#N)cc1 198112647 DOPDAWIQQWXXFK-UHFFFAOYSA-N 337.220 5.087 30 40 EKEB Cc1ccccc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408964230 CGRGUZFTHQQJDY-XYGWBWBKSA-N 344.502 6.451 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Nc2ccccc2)cc1 3898790 OTYMBEUTMYYVGC-OVCLIPMQSA-N 333.818 5.980 30 40 EKEB COc1ccc(C(=O)/C=C/c2ccc(Sc3ccccc3)cc2)cc1 4316023 OYMKSNOOUBVAQH-CXUHLZMHSA-N 346.451 5.743 30 40 EKEB Cc1ccc([C@@H](CC/N=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4859407 AZIRMXJZJODAMB-BSOBGVOESA-N 349.518 5.793 30 40 EKEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 5344507 HDHPZPZPKPXGOT-RGVLZGJSSA-N 325.751 5.049 30 40 EKEB N#CCCN(c1ccc(Br)cc1Cl)C1CCCCC1 95915837 FSHKPTJBJXRETR-UHFFFAOYSA-N 341.680 5.155 30 40 EKEB O=C1C(O)=C/C(=N\c2ccc(Oc3ccccc3)cc2)c2ccccc21 100461262 XGWRPXKGJHVDBL-BSYVCWPDSA-N 341.366 5.238 30 40 EKEB CCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575357833 VEBRHBSEHMFBGF-UHFFFAOYSA-N 330.243 5.045 30 40 EKEB Clc1ccc(-c2c(N/N=C/c3ccccn3)csc2Cl)cc1 5444425 DMWNKOBFZCNDEQ-AWQFTUOYSA-N 348.258 5.563 30 40 EKEB COc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 20242157 APOUTRPHHBAAFU-PXLXIMEGSA-N 333.456 5.738 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(OCCCC)cc1O 100933915 UMKFTSKEDXDPFM-UHFFFAOYSA-N 348.527 6.675 30 40 EKEB CCCCCCCCCCCCOc1ccc(C(=O)OCC)cc1 101469846 SDXWEBNLTREFCQ-UHFFFAOYSA-N 334.500 6.163 30 40 EKEB CCCCCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 105345189 GFYGNOYCEXUNOH-UHFFFAOYSA-N 343.467 5.183 30 40 EKEB C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1ccccc1 408718284 QLKBIWRVUNDQLX-PXLXIMEGSA-N 325.371 5.154 30 40 EKEB Cc1ccc2[nH]c(C)c(/C=N/CCNc3cccc4ccccc34)c2c1 409048404 WKZBNPIVCOSVTG-BUVRLJJBSA-N 341.458 5.469 30 40 EKEB COc1ccc(C)cc1N/C=C/C(=O)c1ccc(Cl)cc1Cl 409061651 ZAHTUFCSNUJEPP-BQYQJAHWSA-N 336.218 5.119 30 40 EKEB C#CCOc1c(CC=C)cc(CNc2cccc(C)c2C)cc1OCC 409122505 YWICUGCHHYSYHV-UHFFFAOYSA-N 349.474 5.055 30 40 EKEB C=CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 4985884 ABAMEXFVSODJKT-UHFFFAOYSA-N 343.835 5.372 30 40 EKEB O=C1/C(=C/C=C\c2ccccc2)CCC/C1=C\C=C/c1ccccc1 12340166 CTQRVSIAFMWYTR-KSDSGBKKSA-N 326.439 6.019 30 40 EKEB CCCCCCCCCCCCCCCCNC(=O)c1ccco1 97940341 UAKNNQZBWKQIKK-UHFFFAOYSA-N 335.532 6.491 30 40 EKEB Cc1ccccc1Cc1c(C)c(C#N)c2nc3ccccc3n2c1Cl 2447377 XELBGERDHIEPHJ-UHFFFAOYSA-N 345.833 5.220 30 40 EKEB Clc1ccc(-c2onc3ccc(C#Cc4ccccc4)cc23)cc1 3399238 VSUUMLOTDPPXMV-UHFFFAOYSA-N 329.786 5.548 30 40 EKEB CCOc1ccc2cc(/C=C/C(=O)c3cccs3)c(Cl)nc2c1 4859807 MOBQUJLGRLDKRL-SOFGYWHQSA-N 343.835 5.245 30 40 EKEB CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC 6942346 NHTVUHDQVMNULB-FYJGNVAPSA-N 331.843 5.587 30 40 EKEB CC/C(C)=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 17142747 OZDHZXMDYQBQGD-LYBHJNIJSA-N 345.511 6.498 30 40 EKEB CCCCCCCCCCCCCCCc1ccc(O)cc1C(=O)O 85340904 NHKCGHLAYLEGBD-UHFFFAOYSA-N 348.527 6.724 30 40 EKEB biogenic,in-vitro C=CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OC 113394843 UJNMVCBRIXVOKA-UHFFFAOYSA-N 338.234 5.179 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\Nc1ccccc1 409076995 CEEVZMGFBAJJGB-IWIPYMOSSA-N 346.474 5.306 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(F)cc1 584905928 UQUNMLCQMUTRIK-UHFFFAOYSA-N 344.842 5.428 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OC 6880697 SNPVYCZMGDNMLH-FYJGNVAPSA-N 347.842 5.287 30 40 EKEB O=C(O/N=C(\c1ccccc1)c1cc2ccccc2o1)c1ccccc1 16450763 AJEMUDQXNZKYLP-XTQSDGFTSA-N 341.366 5.042 30 40 EKEB CCCCCCCCCCn1c(-c2ccccc2)nc2ccccc21 50861312 JHECDMSYJNBVKL-UHFFFAOYSA-N 334.507 6.844 30 40 EKEB CC(C)(C)[C@H]1CC[C@@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1 169287877 KLLIVCPQDTYMLC-HDJSIYSDSA-N 326.436 5.120 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 223526758 RBIUZJVNWUWLET-VBHMAFOESA-N 335.495 5.225 30 40 EKEB C/C(=N\OCc1ccc(C)cc1)c1sc2nc3ccccc3n2c1C 1394326 SYGMOBBKYQKPSH-HYARGMPZSA-N 349.459 5.107 30 40 EKEB C=CCN(CC=C)c1ncnc2scc(-c3ccc(Cl)cc3)c12 5560471 NBZZHIJPXOXSMR-UHFFFAOYSA-N 341.867 5.190 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1CO1 104319524 VWYIWOYBERNXLX-XTXLJPNXSA-N 338.532 5.966 30 40 EKEB CCCCCCCOc1ccc(/C=N/Nc2nc(C)cs2)cc1 409052799 IFSGMWMNRWWXEA-CPNJWEJPSA-N 331.485 5.247 30 40 EKEB Cc1ccc(N/C(S)=N\[C@@H]2CCSc3ccccc32)cc1C 5225384 ARPHMXMCCZACNG-MRXNPFEDSA-N 328.506 5.238 30 40 EKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(F)c1 6961465 ZSKOHMWPCGLRDU-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB CN1/C(=C/C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)c2ccccc21 18157116 RDHIUXVWCPMFHM-LDADJPATSA-N 345.364 5.200 30 40 EKEB CN/C(=N\c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 49772140 XAXWBWMONZQJKC-UHFFFAOYSA-N 346.274 5.022 30 40 EKEB CC1(C)CC(=O)C=C(/C=C/Nc2ccc(Oc3ccccc3)cc2)C1 100098520 BEFCHESAMXRLGJ-OUKQBFOZSA-N 333.431 5.720 30 40 EKEB CCCCCCCCOc1c(Cl)cc(C(=O)O)cc1OCC 408539007 DJDDSDMQCGAUDF-UHFFFAOYSA-N 328.836 5.176 30 40 EKEB CCCCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21 4663459 ZRDSZWIBYZBSOE-HZHRSRAPSA-N 343.430 5.446 30 40 EKEB C=CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 392184531 CBKXOLXQYFKPTB-UHFFFAOYSA-N 331.415 5.656 30 40 EKEB Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 408949282 ALHIOYDLZMAMGG-HYARGMPZSA-N 337.854 5.256 30 40 EKEB C=C(C)CSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 477480 GQFKDDOLBCDQIL-LLVKDONJSA-N 347.553 5.093 30 40 EKEB C(=N/Nc1nc2ccccc2o1)\c1ccc(Nc2ccccc2)cc1 4883543 CGMQCVWBAICAMN-KGENOOAVSA-N 328.375 5.017 30 40 EKEB C/C(Nc1ccccc1Br)=C1/Sc2ccccc2C1=O 100094111 RNXCJUGVVAGTMH-YBEGLDIGSA-N 346.249 5.081 30 40 EKEB O=C1/C(=C\c2ccco2)C[C@H](c2ccccc2)C/C1=C\c1ccco1 250813970 NHMQLLNWBPNUOX-QOTRKYLXSA-N 330.383 5.486 30 40 EKEB COc1ccc(C(=O)/C=C/c2sccc2Oc2ccccc2)cc1 5210649 RMKRIECRQAFWAQ-VAWYXSNFSA-N 336.412 5.445 30 40 EKEB Oc1ccc(/N=C/c2ccc(Cl)cc2)cc1-c1nc2ccccc2o1 5605055 NOCMYTADXRVALQ-WSDLNYQXSA-N 348.789 5.604 30 40 EKEB C=C1C[C@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@H]12 5791606 DDIANFAJRRTYHK-MJGOQNOKSA-N 325.452 5.706 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OC 8367865 FMBWHRJDDDFVMW-CIAFOILYSA-N 329.827 5.281 30 40 EKEB CCN1/C(=C/C=C2/CCc3ccccc3C2=O)Sc2ccccc21 96094076 YSUNOCYISGYCCX-WQBPOOPKSA-N 333.456 5.216 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(C#N)cc3)c2C#N)C1 409213048 SARHKSUGVMRSJO-XLFQKYORSA-N 347.487 5.393 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3cccc(C)c3C)c2)cc1 409216868 PDPMRCKRKVWXFK-IWIPYMOSSA-N 329.443 5.941 30 40 EKEB Cc1ccc2nc(/N=C(/O)c3ccc(Br)cc3)sc2c1 3214037 UZZYQLHMGQLFMH-UHFFFAOYSA-N 347.237 5.004 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 408754656 GPLPOIRSICKWBQ-OEAKJJBVSA-N 336.866 6.061 30 40 EKEB COc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 65415 PPLUGHIPFDAJAY-UDWIEESQSA-N 340.220 5.362 30 40 EKEB CCCC[C@H]1CC[C@@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 2320875 CDKYACJXOAVVHP-LAUBAEHRSA-N 347.458 5.851 30 40 EKEB N#C[C@@]1(c2nc3ccccc3s2)C[C@H]1c1ccc(Cl)cc1Cl 2625036 UYINWSGGEKJDLS-SJCJKPOMSA-N 345.254 5.552 30 40 EKEB O=C(CCC/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1 4763132 VRTHODKIAPQYRC-LVWGJNHUSA-N 342.442 5.556 30 40 EKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(Cl)cc2)c1 6321836 XNNONQMYZQIYFV-DNTJNYDQSA-N 333.140 5.458 30 40 EKEB N#Cc1ccccc1Oc1nc(-c2cccs2)nc2ccccc12 15209837 XDHMWEMMGSQFJC-UHFFFAOYSA-N 329.384 5.022 30 40 EKEB Cc1cccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c1 59501488 FJHNSQLPSILRPU-AFUMVMLFSA-N 340.470 5.883 30 40 EKEB CCCCCCCC[Sn]CCCCCCCC 195751086 HGQSXVKHVMGQRG-UHFFFAOYSA-N 345.159 6.248 30 40 EKEB CCN1c2ccc(/C=N/c3ccccc3OC)cc2[C@@H](C)CC1(C)C 198094663 AQUXSRNZVQJPQS-PFRBSUFTSA-N 336.479 5.558 30 40 EKEB O=C(/C=C/c1cccc2ccccc12)/C=C/c1cccc2ccccc12 2570246 OHEADGCNSXXYKE-YTEMWHBBSA-N 334.418 6.289 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 5612907 PKTICZBOMLQBIT-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB Cc1ccccc1C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 71977133 OKBBKWLASZIXCM-DTQAZKPQSA-N 328.411 5.470 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1C 409199279 BFULCMXWTPRGSU-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CN(c1ccccc1)c1ccc(/C=N/c2cc(Cl)ccc2O)cc1 3240737 NUPMNIIUUOISKG-HYARGMPZSA-N 336.822 5.564 30 40 EKEB CCCCCCCCSc1nc(CCCCCCCC)n[nH]1 97952121 KQJXXEUARJOCNY-UHFFFAOYSA-N 325.566 6.160 30 40 EKEB CCOc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 408732950 BUQVFEHOEHGSCD-BUVRLJJBSA-N 342.442 5.356 30 40 EKEB Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 408855539 NWDPXEASNPUKCY-UDWIEESQSA-N 339.782 5.098 30 40 EKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccccn1 409242282 WPVYAFLHXXXYFA-SSDVNMTOSA-N 327.790 5.032 30 40 EKEB CCCCCCCCOCCSCCOCCCCCCCC 1083815554 RITHHYFVZDJEGB-UHFFFAOYSA-N 346.621 6.474 30 40 EKEB CCCCCCCCCCCC(=O)C(=O)c1ccc(O)c(C)c1O 1563292 GHCLEDZEJACLAC-UHFFFAOYSA-N 334.456 5.079 30 40 EKEB CCCCC[C@@H](CN(C)C)C(=O)/C=C\c1ccc(Cl)cc1Cl 16955365 CPWGZKHMPCLWFI-KLQCNHIUSA-N 342.310 5.334 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219818127 IKAXTMDYYWTLBH-INIZCTEOSA-N 325.477 5.073 30 40 EKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1cccc(Cl)c1 408756524 ZPMAPTCONVIPET-YDZHTSKRSA-N 333.822 5.370 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1cccc2ccccc12 409240063 OEWPVTTUKXTBNI-JJIBRWJFSA-N 344.458 5.589 30 40 EKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1cc2ccccc2o1 4863691 IDLSMWRFKMLXRP-WSDLNYQXSA-N 335.794 5.471 30 40 EKEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCc1ccccc1Cl 96346542 IACPXOKJSCSGGB-HOTGVXAUSA-N 349.821 5.083 30 40 EKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 408961433 SUUQHORWSBKWOO-XIEYBQDHSA-N 340.470 6.013 30 40 EKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1 409249261 SVEGZUUMQYHMTC-JJFYIABZSA-N 344.245 5.547 30 40 EKEB CCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 3176699 HZKHVNILFWOMOU-UHFFFAOYSA-N 346.455 5.408 30 40 EKEB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(-c2cccs2)cc1 84442263 BWUKOEFOFFOJTN-FPYGCLRLSA-N 341.413 5.281 30 40 EKEB CCCCCCCCNc1cccc(OCCc2ccccc2)c1 100039777 FDXWOFJFDKSMPR-UHFFFAOYSA-N 325.496 6.081 30 40 EKEB CCCCCCCCCCCCCC(=O)OCCC[C@H]1CCCO1 100304484 HPOCEXVOKFHKAC-HXUWFJFHSA-N 340.548 6.190 30 40 EKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408692061 CMUWSYKXOLAPSE-MDWZMJQESA-N 333.406 5.438 30 40 EKEB CCn1c(N/N=C(/C)c2cccc3ccccc23)nc2ccccc21 408692218 HJEDVCSVGLQPLM-HAHDFKILSA-N 328.419 5.046 30 40 EKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1 408737494 BQEMYLPCWGXZBU-WSDLNYQXSA-N 343.257 6.152 30 40 EKEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C 4897011 GJPBKKSNBJBHEI-DTMQFJJTSA-N 336.466 5.029 30 40 EKEB CCCCN(CC#CC=C(c1ccccc1)c1ccccc1)CCCC 20812961 RANJNCBOFBLCDG-UHFFFAOYSA-N 345.530 6.024 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cccc(SC)c1 101474906 ZCESPXPJSWKYDD-UHFFFAOYSA-N 334.569 7.292 30 40 EKEB N#Cc1c(Cl)ncc2c1Nc1ccccc1[C@H]2Sc1ccccc1 188797 ZJMACDCIQQNDPC-GOSISDBHSA-N 349.846 5.545 30 40 EKEB Cc1cccc2oc(-c3ccc(/N=C/c4ccccc4O)cc3)nc12 226623 LVXAEBTXZDLRHW-LPYMAVHISA-N 328.371 5.259 30 40 EKEB biogenic C=C(C)CCC[C@@H](C)CCN(C(=O)c1ccccc1)c1ccccc1 3845680 ZDKVRPUJTHVKLG-HXUWFJFHSA-N 335.491 6.106 30 40 EKEB biogenic Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cccs1 4014263 WIVXUXDIUSIMGS-CMDGGOBGSA-N 345.876 5.730 30 40 EKEB ClC1=C(/C=N/c2ccc(Cl)cc2Cl)CCc2ccccc21 4091926 UIPUXWTUECFDLN-UFFVCSGVSA-N 336.649 6.292 30 40 EKEB CSc1nc(Nc2cc(C)cc(C)c2)c(C#N)c(-c2ccccc2)n1 5509603 AERMPXARXACZTR-UHFFFAOYSA-N 346.459 5.098 30 40 EKEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 6048965 VVIRXGHJJUQRAK-NTEUORMPSA-N 335.403 5.539 30 40 EKEB CCCCCCCCCCCC(=O)Nc1cc(OC)ccc1OC 95722920 MNTVIWULCKGFAM-UHFFFAOYSA-N 335.488 5.563 30 40 EKEB CCCCCCCOC[C@H](O)Cn1c2ccccc2c2ccccc21 3128811 HBFJWLNFOWOXPF-GOSISDBHSA-N 339.479 5.142 30 40 EKEB COc1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 5612935 MTTFJZOVIPEJRC-XKZIYDEJSA-N 338.838 5.507 30 40 EKEB COc1ccc(/C=C2/CCCCC(=C(SC)SC)C2=O)cc1 34691069 UUIKMRNFDDUKCW-OWBHPGMISA-N 334.506 5.159 30 40 EKEB CCCCCCCCCCCOCCCCCCCCCCC 100016551 TXYKVMGAIGVXFY-UHFFFAOYSA-N 326.609 8.065 30 40 EKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC 409117042 KKYCPGGJRGNCIW-UHFFFAOYSA-N 334.246 5.180 30 40 EKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(Cl)c2Cl)c1O 226650 BIRQUZYFFOFZAP-UBKPWBPPSA-N 345.569 5.011 30 40 EKEB Cc1ccccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 277677 PNYTVKGZDPMFNT-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc(F)cc1 4277060 JTADJKXBLJASCW-BUHFOSPRSA-N 326.370 6.028 30 40 EKEB CCCCCCCCCCCCCCCCOC[C@H]1COC(=O)O1 8431268 XWKFINNRGOHTHO-IBGZPJMESA-N 342.520 6.020 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=O)SC 104382512 QCFJSTMFKTZZTJ-UHFFFAOYSA-N 343.621 7.321 30 40 EKEB CC(C)c1ccc(/N=C/c2ccccc2I)cc1 408550362 GMWQIZFXSARHPW-WOJGMQOQSA-N 349.215 5.165 30 40 EKEB O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccc(F)cc2)cc1 4460282 ZJLOOVFMVXBNIG-ULEDHRJNSA-N 347.364 5.612 30 40 EKEB CO/C(O)=N\c1ccc(SCc2ccc(Cl)cc2Cl)cc1 4549605 BJNNHVOARBFMPE-UHFFFAOYSA-N 342.247 5.478 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br 6941707 VXFYSAGSQOGOMF-UDWIEESQSA-N 346.268 5.605 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 8368111 YTROKKLYYQQBFC-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n12 12648770 KACRTWJDDSNRFY-UHFFFAOYSA-N 334.467 5.222 30 40 EKEB Cc1cccc(/N=C2\N=C(O)S\C2=C\c2ccc(Cl)cc2)c1 80350103 GDKSQWVMMDGXCW-XNTDXEJSSA-N 328.824 5.380 30 40 EKEB CCN(CC)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 409012977 SCAHMGHMYRNOGU-PXLXIMEGSA-N 340.467 5.079 30 40 EKEB N#Cc1c(/N=C/c2ccc(F)cc2)oc(-c2ccco2)c1-c1ccco1 409377007 DJILPCBCEMLNDB-FSJBWODESA-N 346.317 5.561 30 40 EKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 537530 ZEIRAVQTJLSQIQ-UHFFFAOYSA-N 326.779 5.068 30 40 EKEB C1=C(c2ccccc2)OC2(CCCCC2)O/C1=C\C=N\c1ccccc1 4832630 LAUWUUUPNSQKBZ-WRSPAKRHSA-N 345.442 6.021 30 40 EKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CCC(C)=O 12655675 RUJSTMILPJJENL-UALBZMKFSA-N 330.556 6.881 30 40 EKEB biogenic O=C1/C(=C\c2ccccc2)[C@H]2[C@@H](/C1=C\c1ccccc1)[C@H]1CC[C@@H]2C1 17378057 RXHFKIIFRXWRMR-DBSMOTTCSA-N 326.439 5.399 30 40 EKEB CCOc1cc(Cl)cc(/C=N/c2ccccc2[C@@H](C)CC)c1O 569018 ODMBEAFHFHHVBY-XMOVILSBSA-N 331.843 5.708 30 40 EKEB CC1=C(C(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 1593912 XFNILMZFMFGHFM-UHFFFAOYSA-N 338.406 5.214 30 40 EKEB CC1(C)C/C(=C/c2cccc(Br)c2)C(=O)c2ccccc21 1754600 AOFSBFOPRGMIMO-UVTDQMKNSA-N 341.248 5.397 30 40 EKEB Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 4357767 MJGUMXDUHFBUQK-LPYMAVHISA-N 332.790 5.899 30 40 EKEB Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@@H](C)CC(C)(C)N2C 198080161 IUIDARHMPZOUAW-BIKZULFDSA-N 348.534 6.591 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3)c2C)c1 408757151 XORWMHVOMRNEGC-BKUYFWCQSA-N 333.391 5.061 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1 409220917 HSBKIBIQADZBTR-HZHRSRAPSA-N 328.440 5.769 30 40 EKEB O=C1/C(=C/c2ccco2)CCC/C1=C\c1ccc(Cl)cc1Cl 4571968 AAQBOIFIOHVUMO-UTLPMFLDSA-N 333.214 5.806 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2CCCCCC2)cc1 13042564 XUDQNXXZKPNDLW-VGOFMYFVSA-N 339.866 5.617 30 40 EKEB CCCCCCCCNc1cccc2c1C(=O)c1ccccc1C2=O 100313227 HWPGNGZETQUYKA-UHFFFAOYSA-N 335.447 5.234 30 40 EKEB CC(C)(C)c1cc(/N=C/c2ccccc2O)cc(C(C)(C)C)c1O 102547682 QCMHPCXUKSADMV-LPYMAVHISA-N 325.452 5.443 30 40 EKEB C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)c1 219793071 CFDCQRMVOPJLGW-NRFANRHFSA-N 337.463 5.139 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C 219815468 BNYPSMVACPOXRJ-INIZCTEOSA-N 325.477 5.073 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)c1 408759188 ZJTCRENHANDHSO-BUVRLJJBSA-N 330.475 6.277 30 40 EKEB COc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409200344 HWUTUZFZGGGINE-GIJQJNRQSA-N 338.632 5.170 30 40 EKEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 12406394 ZIBCDVQPZLGYBP-UAHNYKDTSA-N 332.447 5.002 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 16610494 LIDODSBVMRSMEU-ZGXHQARYSA-N 332.241 5.419 30 40 EKEB O=C1/C(=C\c2ccccc2)[C@H]2[C@H]3CC[C@H](C3)[C@H]2/C1=C/c1ccccc1 17014173 RXHFKIIFRXWRMR-FXYKJWJKSA-N 326.439 5.399 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(C(F)(F)F)cc2)cc1 51318699 ZTEZSJDAJMNDLU-VAWYXSNFSA-N 333.353 5.637 30 40 EKEB N#C[C@@H](c1ccccc1)[C@@H](C/C(=N/O)c1ccccc1)c1ccccc1 100367407 LENXMXZDEOPCNP-QIJFPUFLSA-N 340.426 5.346 30 40 EKEB CCCCCCC/C(=N/Nc1ccc(Cl)nn1)c1ccc(O)cc1 102990133 MEGJRTAZTUADNP-SILNSSARSA-N 346.862 5.012 30 40 EKEB Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965124 GHSKXOPCMDEXCF-ZVHZXABRSA-N 331.463 5.537 30 40 EKEB O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1 409059598 QYJSOBDCLTULPA-CCEZHUSRSA-N 333.362 5.427 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1 439163 DABGWPYWLXUYIR-LPYMAVHISA-N 341.370 5.494 30 40 EKEB O=C1SC(SCc2ccccc2)=N/C1=C/c1ccc(Cl)cc1 4718049 HLFVLGLFUUOHNQ-XNTDXEJSSA-N 345.876 5.244 30 40 EKEB O=C(/C=C/c1ccc(Br)cc1)c1cccc2ccccc12 5669587 VMGROOLBINBCGY-JLHYYAGUSA-N 337.216 5.498 30 40 EKEB CCS/C(=C(\c1ccccc1)[S+](CC)CC)c1ccccc1 8619322 IHYLKINALHZVEO-FMQUCBEESA-N 329.554 5.924 30 40 EKEB Oc1ccccc1/C=N\c1ccc2c(ccc3c4ccccc4ccc23)c1 104220493 KAPIDDRGFDXDOV-QQXSKIMKSA-N 347.417 6.602 30 40 EKEB Cc1ccccc1Nc1oc2ccccc2c1/N=C/c1ccccc1O 506401 ZJCKABIGUBWBDC-OEAKJJBVSA-N 342.398 5.941 30 40 EKEB O=C(/C(=C/c1cccs1)c1nc2ccccc2s1)c1ccccc1 5578569 WFUMVGQWMDJKHZ-SSZFMOIBSA-N 347.464 5.781 30 40 EKEB CCCCCCCCCCCn1c(CCCO)nc2ccccc21 8440023 UVQIZRNVGPIGHV-UHFFFAOYSA-N 330.516 5.492 30 40 EKEB O/N=C(\c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 100467625 XLKFPTSFBIEJHV-YMYNOVCJSA-N 340.637 5.629 30 40 EKEB CCCO[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915147 BLNQANGFOGHVAO-WLNPFYQQSA-N 330.512 5.314 30 40 EKEB CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CCCC2 408812114 NSNPVLKMGXMMHN-SRZZPIQSSA-N 344.867 5.301 30 40 EKEB Fc1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1 409009888 CHYRHZNDEOAWKZ-RGVLZGJSSA-N 344.183 5.599 30 40 EKEB c1ccc([C@@H]2O[C@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 4277135 ZEUYIQIOKFNOJX-PWRODBHTSA-N 331.440 5.197 30 40 EKEB O=[N+]([O-])c1ccc(/[S+]=c2/cc(-c3ccccc3)ss2)cc1 4473082 RWJZNZRIJHKMBZ-UHFFFAOYSA-N 332.451 5.058 30 40 EKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccccc2Cl)c1 6322803 FBKJWGFJTIENAB-DNTJNYDQSA-N 333.140 5.458 30 40 EKEB Fc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl 59303080 PKODWJBFLFRGSR-SRZZPIQSSA-N 333.193 5.674 30 40 EKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 100194060 CPNVSWFGFPRHLC-ZVHZXABRSA-N 344.458 5.664 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(F)cc(Cl)c1 101471054 RTDPLVXIFZJACX-UHFFFAOYSA-N 340.910 7.363 30 40 EKEB N#Cc1cn(C(=O)c2ccc(-c3cccc(Cl)c3)o2)c2ccccc12 226361769 QOVJTPYRENTSGD-UHFFFAOYSA-N 346.773 5.115 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 408738753 NSJDKJXPOHISEH-BUVRLJJBSA-N 330.475 6.277 30 40 EKEB Cc1ccc(C)c(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1 408915122 UYXKXXDGIQZORK-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB C=C1C[C@@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@H]12 5482551 LIEDCQPGOXPJSJ-IEBWSBKVSA-N 344.882 5.968 30 40 EKEB O=C(/C=C/c1cccc(Br)c1)c1cc2ccccc2o1 7779486 SLEZQOBINNLLSL-CMDGGOBGSA-N 327.177 5.091 30 40 EKEB Cc1ccc(C)c(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 32100223 ZSNAYFHXRBENID-CCEZHUSRSA-N 327.427 5.779 30 40 EKEB N#Cc1c(/N=C/c2ccc(O)cc2)oc(-c2ccco2)c1-c1ccco1 59490122 QHVMBOYTLMHMHK-WSDLNYQXSA-N 344.326 5.127 30 40 EKEB CC1=Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 100128987 GDPOVYKDKPTVGT-CQSZACIVSA-N 336.822 5.259 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl 409018691 YLXPUNPZIYOTAB-SRRANQMSSA-N 336.262 6.230 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3cc(C)ccc3C)cc2)cc1 409199276 BYKXOBTXQNYBBL-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB CCc1cccc2c(C#N)cn(CCOc3ccc(C(C)(C)C)cc3)c12 6945293 IERRNVCBYHLOQA-UHFFFAOYSA-N 346.474 5.452 30 40 EKEB C=C(Cl)Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 26894777 ZOIXHMZALVDCAV-DHZHZOJOSA-N 329.230 5.613 30 40 EKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 32100585 MURRNRNJGYMPJI-CSKARUKUSA-N 340.637 5.845 30 40 EKEB C=CCc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1O 100440391 PZRAYFJALQNJSL-CBPGUJEKSA-N 341.414 6.287 30 40 EKEB C=CCNC(=O)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC 104109775 ADZPERKXQXVDFT-WOJBJXKFSA-N 337.548 5.537 30 40 EKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(C(C)C)cc2)o1 408962758 UOMKQRWMBQBWCW-YDZHTSKRSA-N 347.414 5.827 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(OC)cc3)c2C)cc1 409185303 WGKLCMNPSVRTTF-HAHDFKILSA-N 348.446 5.252 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(C)c3)c2C)cc1 409186808 IDFOISRGGMHBSG-HAHDFKILSA-N 332.447 5.552 30 40 EKEB N#Cc1c(-c2cccs2)oc(N)c1-c1ccc(Cl)cc1Cl 140964 DFOOCCVGUBPNKF-UHFFFAOYSA-N 335.215 5.436 30 40 EKEB Clc1ccc(Cl)c(-c2ccc(/C=N/Nc3ccccc3)o2)c1 4839256 XGRBHLOXIGUEFS-RGVLZGJSSA-N 331.202 5.699 30 40 EKEB C=CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C 8277707 DTOHIXGCDAKKGJ-OEAKJJBVSA-N 335.834 6.117 30 40 EKEB CC/C(=N/NC(=S)Nc1ccc(C)cc1C)c1cccc(Cl)c1 33669450 XABYYQFRAPNGBB-PGMHBOJBSA-N 345.899 5.058 30 40 EKEB CCCCCCCCn1c(-c2ccc(OC)cc2)nc2ccccc21 50861330 NFODRQPWHZWULE-UHFFFAOYSA-N 336.479 6.072 30 40 EKEB Cc1ccc(C)n1-c1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59249549 LOIFNCZNGMAXTA-BUVRLJJBSA-N 341.458 5.645 30 40 EKEB Oc1ccc2ccccc2c1C=Nc1cccc(Br)c1 254391090 IFCQGLWWMCKCFN-UHFFFAOYSA-N 326.193 5.059 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 18056951 MHVRYHFVOKXUDT-WCQUILQHSA-N 342.398 5.237 30 40 EKEB CCCCCCCNCc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 101501857 KRUXWRVVZUZUQR-UHFFFAOYSA-N 349.858 5.358 30 40 EKEB CCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1 104206630 DATMKDBMEZKPLP-UHFFFAOYSA-N 334.500 6.250 30 40 EKEB C=CCOC(=O)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226244435 YTBDLJIAWYPKQM-UHFFFAOYSA-N 331.582 5.250 30 40 EKEB N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc12 226361773 QVMKUQHPQWYBFW-UHFFFAOYSA-N 346.773 5.115 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(C(C)=O)c3)c2C)cc1 408764393 ROWOGLKFHPWBFW-BUVRLJJBSA-N 344.458 5.610 30 40 EKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1 408788434 FMUMIRJFKCJXJQ-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB COc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 69991 PKCBZUFBRPBRKZ-FANOUHKGSA-N 348.442 5.170 30 40 EKEB CCCCCCCCCCCCNc1nnc(Cl)c2ccccc12 1555766 QHSHOEPUYOFRCU-UHFFFAOYSA-N 347.934 6.616 30 40 EKEB CCCC[C@@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 2320878 CDKYACJXOAVVHP-UTKZUKDTSA-N 347.458 5.851 30 40 EKEB C/C(=N/OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 12403929 RCGZSPZBCWVNQC-QJOMJCCJSA-N 329.399 5.243 30 40 EKEB C[C@H]1CCC[C@@H]1/C(=N/c1ccc(Cl)c(Cl)c1)N1CCCCC1 17426398 IMPYITBOWWOOET-KVLUZXKMSA-N 339.310 5.946 30 40 EKEB COc1ccc2c(c1)CC/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 33502523 HSGZWEQLSBNSAG-MDWZMJQESA-N 333.214 5.215 30 40 EKEB CCCCCCCCCCCCCCCCCCSCCO 85428472 FHDOHGWCPQVESM-UHFFFAOYSA-N 330.622 6.973 30 40 EKEB CC(C)CCn1ccc2c(NC(=O)c3ccc(N=[N+]=[N-])nc3)cccc21 108515328 YWGGSRORIKLFKA-UHFFFAOYSA-N 348.410 5.277 30 40 EKEB N#Cc1c(/N=C/c2cccs2)oc(-c2ccco2)c1-c1ccco1 222036188 VOANDXKZVMOFBV-RGVLZGJSSA-N 334.356 5.483 30 40 EKEB C#CCOc1c(CC=C)cc(CNc2ccccc2CC)cc1OCC 409110447 CENRPPGDIHRETM-UHFFFAOYSA-N 349.474 5.000 30 40 EKEB C=CCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 409214705 XUGBDPNHZBKHFS-QJOMJCCJSA-N 329.399 5.794 30 40 EKEB CCOc1ccccc1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 4919779 IFEIHGAHWLMIJV-UFFVCSGVSA-N 342.748 5.204 30 40 EKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1 8452150 GHCWNUYNWRWIAH-UHFFFAOYSA-N 347.499 5.723 30 40 EKEB CCOc1ccc(/N=C2/c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 17241908 FFEXGEDNJDCTGM-KKPVDXMRSA-N 341.410 5.186 30 40 EKEB O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 35586092 KULFFEDTSHPCGX-BQYQJAHWSA-N 327.207 5.621 30 40 EKEB CCCCCCCc1ccc(C(=O)NCCC2=CCCCC2)cc1 100969432 WZEHPJSBJWNLSX-UHFFFAOYSA-N 327.512 5.820 30 40 EKEB C=CCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1 245224291 UMULWEQZNFZORL-POSCCBCBSA-N 332.478 7.011 30 40 EKEB Cc1cc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)ccc1F 408932625 YJFKMRHYJKAEJW-WYMPLXKRSA-N 346.327 5.694 30 40 EKEB Cc1ccc(C(C)C)c(OCCn2c(C)c(C#N)c3ccccc32)c1 29017 ACJAMUBYMWZNBU-UHFFFAOYSA-N 332.447 5.332 30 40 EKEB CCN1/C(=C/C(=O)c2ccccc2)Sc2ccc3ccccc3c21 4713941 GQYDZBRCPSLDOG-ZHZULCJRSA-N 331.440 5.496 30 40 EKEB Cc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1O 6613123 ZDWWNWCXAYOMNY-FYJGNVAPSA-N 328.843 5.095 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 8084729 RTEHPWSICJDXPL-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 198078091 SSKIKCQKHGFNFP-HIQXPHMNSA-N 334.507 6.283 30 40 EKEB CCOc1cc2c(cc1/C=N\c1ccc([C@H](C)CC)cc1)OCO2 409098103 NINZIFKSIROJST-LQFJMUIISA-N 325.408 5.078 30 40 EKEB COc1ccc(/C=N/c2ccc(Br)cc2)c2ccccc12 65176 CZNLBHAZRKLTEI-UDWIEESQSA-N 340.220 5.362 30 40 EKEB Clc1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)cc1 502142 YZLJWXAXLBUFBM-LPYMAVHISA-N 331.806 5.405 30 40 EKEB Cn1c(-c2ccccc2)c(/C=N/c2ccc(C#N)cc2)c2ccccc21 3293966 SUZYUNDCERCFQX-PCLIKHOPSA-N 335.410 5.468 30 40 EKEB N#CCCN1CCn2c3ccc(C4CCCCC4)cc3c3cccc1c32 4139138 NENJDZSKXLZPAT-UHFFFAOYSA-N 343.474 5.576 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc2[nH]c3ccccc3c2c1 5258828 NLAZOVZLSSIIMC-KPKJPENVSA-N 331.802 5.871 30 40 EKEB CCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 8398131 YRSPWZQCMDNENJ-UHFFFAOYSA-N 342.527 5.528 30 40 EKEB biogenic CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/O 101561138 SUIVXLJKUVOXKD-ZJJJOLQCSA-N 345.571 7.142 30 40 EKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1 225943172 KAMZTBSABGHBDA-UHFFFAOYSA-N 343.854 5.112 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1 408588440 WGBXKECYZITSQS-UHFFFAOYSA-N 339.479 5.987 30 40 EKEB CSc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 6948838 JIIBFLPIODWPEU-JXMROGBWSA-N 333.250 5.067 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1 8368043 STKQEDMHGGLCCK-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(C)cc2)cc1Br 8371853 SDZMDQMJPCISAI-XDHOZWIPSA-N 330.225 5.073 30 40 EKEB O=C1/C(=C/c2ccccc2)[C@H]2[C@H]3CC[C@H](C3)[C@H]2/C1=C\c1ccccc1 17378059 RXHFKIIFRXWRMR-YNQVQCJBSA-N 326.439 5.399 30 40 EKEB CCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC 100923472 BZTOPRRNNRNULN-UHFFFAOYSA-N 328.561 5.327 30 40 EKEB C(=N/Nc1ccc2ccccc2n1)\c1ccc(Sc2ccccc2)o1 408995319 MCSYHAVFEOEGTF-KGENOOAVSA-N 345.427 5.425 30 40 EKEB Cc1ccccc1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409218942 YSLQVZYVNTZZFG-HMAPJEAMSA-N 346.386 5.233 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@H](C)O 2120394 DEFBNRDMYPYCCS-LOLMKWDPSA-N 332.572 6.673 30 40 EKEB COc1ccc(Oc2ccc(N/C=C3/CCC[C@H](C)C3=O)cc2)cc1 3639237 DVXSXSKPCVQFOC-RIBQPWQFSA-N 337.419 5.172 30 40 EKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/[C@H]3C[C@H]3c3ccccc3)cc2)cc1 8739322 MHVRYHFVOKXUDT-MFDGSOIASA-N 342.398 5.237 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(OC)ccc1OC 101472498 WFKAAELTVKNRLC-UHFFFAOYSA-N 348.527 6.588 30 40 EKEB Sc1ccccc1/N=C\c1ccc(/C=N\c2ccccc2S)cc1 104192202 RQZGVAGCRIEKLM-JZTLMNBPSA-N 348.496 5.765 30 40 EKEB CC(C)N1c2ccc(/C=N\c3ccccc3O)cc2[C@@H](C)CC1(C)C 223567416 BCTJOVKHBKRMDC-ZGWJWYQGSA-N 336.479 5.643 30 40 EKEB CC(C)n1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409097350 NKLSNLSLYLXJJH-NUGSKGIGSA-N 346.356 5.082 30 40 EKEB O=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc(Cl)c1 273792 WVFBRADPHIIHMQ-HYARGMPZSA-N 334.806 5.343 30 40 EKEB Clc1ccc(/C=N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 1661503 VOXSRYYLVMOEEL-OKXCLTPOSA-N 346.044 5.753 30 40 EKEB Oc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 13406305 PXLPAZKKRLOYAO-YBFXNURJSA-N 326.193 5.059 30 40 EKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1 408587816 UUUBOTNHALTYMX-UHFFFAOYSA-N 341.451 5.384 30 40 EKEB COc1ccc2c(c1)[C@H](c1ccccc1)[S@+](C)C(c1ccccc1)=C2 5181101 YTBOYHVGBKQNSN-ZCYQVOJMSA-N 345.487 5.544 30 40 EKEB COc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 8116674 NRHBXHDTWOXZOZ-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 13653770 WLWLOGRRDWUFRK-NDENLUEZSA-N 348.423 5.252 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C)cc2F)cc1 44843215 FCILYEHXCLBFIA-VAWYXSNFSA-N 327.399 5.122 30 40 EKEB CCCCCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1 104186045 NIXNCBRIBRCGQE-UHFFFAOYSA-N 335.444 5.673 30 40 EKEB Cc1c(/C=N\c2ccc(Nc3ccccc3)cc2)c2ccccc2n1C 408813062 DACPFRHIEGYCQM-JLPGSUDCSA-N 339.442 5.981 30 40 EKEB Fc1cccc(-c2ccc(/C=N/c3cccc(Br)c3)o2)c1 409014117 OYCSMQYIZWDBKH-RGVLZGJSSA-N 344.183 5.599 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OC 409133627 NKRVGFWMZIAMCJ-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB C[C@@H]1CCC/C(=C/Nc2ccc(Oc3ccccc3Cl)cc2)C1=O 409183904 WFGPWSOWCSYZCZ-JNINTMOKSA-N 341.838 5.817 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1C 409217454 VLAFCKVANMLXNR-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC 4426726 SBRJFDJPIAPOCA-CWBXHPNXSA-N 335.491 5.186 30 40 EKEB CC(/C=C/c1ccccc1)=N\OC(=O)c1ccc(Cl)cc1Cl 4579521 DXKCUSNXWLTQSZ-BYHMIWLJSA-N 334.202 5.240 30 40 EKEB Cc1ccc(/C(=N/OC(=O)Nc2cccc(Cl)c2)C(C)C)cc1 5745110 GYGGBPNESYVEHQ-HEHNFIMWSA-N 330.815 5.257 30 40 EKEB Cc1ccsc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 11614203 RJQGWHUBUZVJTP-DTQAZKPQSA-N 345.423 5.621 30 40 EKEB CCCCCCCCOc1ccc(/N=N/c2ccc(CC)cc2)cc1 68569013 CLHCTZRRKFDRJW-WCWDXBQESA-N 338.495 7.404 30 40 EKEB CCCCCCCCCCCCCCCCP(=O)(OC)OC 73333096 KCGQAMHRYDCPDN-UHFFFAOYSA-N 334.481 6.954 30 40 EKEB CC(C)=NNc1nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302974 RSTQYTJKWFBLOZ-UHFFFAOYSA-N 339.508 5.572 30 40 EKEB Cc1ccc2c(c1)/C(=N/C1CCCCC1)c1nc3ccccc3nc1-2 492785 NQJYBXZPOKTFOO-LNVKXUELSA-N 327.431 5.089 30 40 EKEB C/C(=N\Nc1nc2ccccc2s1)c1ccc2c3c(cccc13)CC2 5480204 SXCWHWSQJLXODS-YDZHTSKRSA-N 343.455 5.384 30 40 EKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc2ccccc12 6235834 LNWUVQKKEURADF-BUVRLJJBSA-N 332.422 5.638 30 40 EKEB Brc1cccc2cc(/C=N\Nc3ccccc3)ccc12 33368462 CTIGYEJQXCSSSD-UNOMPAQXSA-N 325.209 5.048 30 40 EKEB C=C[C@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C 101105831 LXELBISQABCQRG-UVUJQTEASA-N 326.480 5.997 30 40 EKEB CCCCCCCCCCCCCCC[N+]1([O-])CCCCCC1 104199020 APCMAYLQTXWRQM-UHFFFAOYSA-N 325.581 6.966 30 40 EKEB CC(C)(C)[C@@H]1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1 253390300 RIBSESIBPDNOEQ-YNFGUSTMSA-N 342.529 6.302 30 40 EKEB C=CCOc1ccc(Br)cc1CNc1cc(C)ccc1C 409109349 CANHOMJELUJIPM-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB Cc1ccc2nc(/N=C(/O)c3ccc(Cl)cc3Cl)sc2c1 3218471 YRGXIIBHOKCSOQ-UHFFFAOYSA-N 337.231 5.548 30 40 EKEB Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(C(C)C)C1=O 4673279 DAIGAYWNXAZHEF-UGZHYMOWSA-N 342.489 5.069 30 40 EKEB C=CCSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087459 NUHIVNGYWJYMEW-UHFFFAOYSA-N 326.852 5.471 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)c1 408760144 SHKPICGYXRZSSL-BUVRLJJBSA-N 330.475 6.277 30 40 EKEB CC(C)C(C#CCN1CCCCC1)(c1ccccc1)c1ccccc1 1763584 FMDQPLRMMIWUHW-UHFFFAOYSA-N 331.503 5.118 30 40 EKEB O=C1/C(=C/c2c3ccccc3cc3ccccc23)Sc2ccccc21 2279484 CFRSXCHVJQAGQY-HMAPJEAMSA-N 338.431 6.323 30 40 EKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C#N)[C@@]4(C)CC[C@@H]32)C1 4061908 QUGXMPWNBWSXCH-FAWMDMTCSA-N 341.495 5.021 30 40 EKEB CCCCC#Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 4092923 DGZZFCLMOOJXGJ-UHFFFAOYSA-N 346.257 5.787 30 40 EKEB C[C@@H](Cc1ccccc1)N(C)C1=C(CCC#N)C[C@H](C(C)(C)C)CC1 5496060 UGQCEMOXUIYELV-GHTZIAJQSA-N 338.539 5.953 30 40 EKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 6515552 IUZIOWYVKAASLD-IZZDOVSWSA-N 333.258 6.187 30 40 EKEB CCCCCCCCCCCCCC(=O)Oc1ccc(OC)cc1 8452336 BYCQJIJKYKHTRV-UHFFFAOYSA-N 334.500 6.302 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(Cl)c(Cl)c2)cc1 51318678 CZTRLWZZYNJIBS-MDZDMXLPSA-N 334.246 5.925 30 40 EKEB CCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1 100722811 KCUSVGAHNQSYDY-UHFFFAOYSA-N 346.559 6.392 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(F)ccc1OC 101473575 LGYWVQWMZHPORA-UHFFFAOYSA-N 336.491 6.718 30 40 EKEB CCC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4217592 LZSOOHLAZHOTHJ-GUCLMQHLSA-N 330.512 5.050 30 40 EKEB biogenic,in-man O=[N+]([O-])c1cccc(C(=N/Nc2ccccc2)/N=N/c2ccccc2)c1 5483153 NCADWOGGKQAVNM-YMGPPEANSA-N 345.362 5.152 30 40 EKEB C[C@@H](Cc1cccs1)/N=C(/S)Nc1ccc(Cl)c(Cl)c1 8692020 XVDGSCKPCHCWHT-VIFPVBQESA-N 345.320 5.384 30 40 EKEB O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(Cl)cc1 22504008 JSGDILNOOKCXBA-JLHYYAGUSA-N 349.817 5.210 30 40 EKEB COc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl 409011385 GIQJOJKMECQUPX-SRZZPIQSSA-N 329.758 5.498 30 40 EKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Br)ccc1O 569004 RQZDUHCWYVFBNB-MKFNJMOCSA-N 332.241 5.419 30 40 EKEB CC(C)c1cccc(C(C)C)c1NC1=CC(=O)C(=O)c2ccccc21 1626472 LMNZTONKUYDHAJ-UHFFFAOYSA-N 333.431 5.152 30 40 EKEB CCCCCCCCn1c(NCc2cccs2)nc2ccccc21 3643126 OQQJHPFXKKBQPF-UHFFFAOYSA-N 341.524 6.070 30 40 EKEB O=C(O)c1cc(-c2ccc(/C=N\c3ccccc3)o2)ccc1Cl 21965849 DGUDSLNHVBWNON-JAIQZWGSSA-N 325.751 5.049 30 40 EKEB CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2Cl)cc1 51318848 AGTYSBQRXUAYST-MDZDMXLPSA-N 336.218 5.201 30 40 EKEB Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(Cl)cc1 59678313 KGSKAGJOGVYOSX-CIAFOILYSA-N 329.230 5.843 30 40 EKEB CCCCCCCCCCc1nc2ccccc2n1CCCCC 101433880 VDDVXQHMESXKHC-UHFFFAOYSA-N 328.544 6.910 30 40 EKEB CCCCCCCCCCCCCCC[C@H](NN)c1ccccc1 199538082 ZUNHWNWCULNPRP-QFIPXVFZSA-N 332.576 6.672 30 40 EKEB COC(=O)c1ccccc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 574698 KOUFVJVXEWCAAC-CIAFOILYSA-N 339.778 5.137 30 40 EKEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)-c2ccccc2C3)c1 6200162 OQKPFEPFCDZGBW-FMIVXFBMSA-N 326.395 5.163 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2)cc1 44843121 BKHJLXUUPZSUOX-OUKQBFOZSA-N 329.827 5.327 30 40 EKEB C=CCNC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC 104109779 ADZPERKXQXVDFT-VQTJNVASSA-N 337.548 5.537 30 40 EKEB CCCCc1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 409017695 VQAQYIZLOUDSBO-PXLXIMEGSA-N 325.452 5.576 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl 409211288 MVYYIBJVCURNCY-SRZZPIQSSA-N 332.230 5.373 30 40 EKEB N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 96098 CIBGXWTUCHVGKQ-UHFFFAOYSA-N 344.439 5.028 30 40 EKEB CCCCCCCc1ccc(/N=C/c2ccc(OCCC)cc2)cc1 1692758 ZKIXLCCWIJFEJL-LYBHJNIJSA-N 337.507 6.739 30 40 EKEB CC(=O)c1ccc(/N=C\C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 1816158 VCJDIAWNVFLILL-ALZGGJCBSA-N 347.414 5.299 30 40 EKEB Oc1ccc2ccccc2c1/C=N/c1c2ccccc2nc2ccccc12 5391074 ULBIGKMEHNZPJG-MFKUBSTISA-N 348.405 5.997 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59248353 FMMVSQRUKXKXQS-PUFAJPFRSA-N 345.826 5.068 30 40 EKEB CCCCCCCCCCCC[N+](C)(C)CCCCCCCC 95858571 WIBQZDXLMHDYMQ-UHFFFAOYSA-N 326.633 7.344 30 40 EKEB CCCCCCCCCCCCSc1nc(Br)n[nH]1 97965974 ZZYGUAXVSSQZKA-UHFFFAOYSA-N 348.354 5.580 30 40 EKEB C=CCCC[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 390823319 ZETBSEGROCOGEY-INIZCTEOSA-N 335.447 5.270 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2ccc(C)cc2C)cc1 409213126 SOHQELBNARCBOO-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB N#C[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1872818 RONHPHPSMUFWPP-FCHUYYIVSA-N 325.411 5.351 30 40 EKEB Cc1ccccc1/N=C(/Nc1ccccc1[N+](=O)[O-])c1ccccc1 5589906 JEXTWBWEPBMPPN-UHFFFAOYSA-N 331.375 5.094 30 40 EKEB CC/N=c1\scc(-c2ccc(Cl)cc2)n1N=C1CCCCCC1 6392670 RHZYUHIEYYOVLQ-ZZEZOPTASA-N 347.915 5.349 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(C)c(C)cc1C 101475458 OWCPPMLVUCWSCH-UHFFFAOYSA-N 330.556 7.496 30 40 EKEB Cc1cc(C)cc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408738083 NECLMGWQZYJMPX-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB Clc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 408853929 ZZSGGLMYGAYBLC-NHDPSOOVSA-N 349.648 6.188 30 40 EKEB CCCCCCCc1ccc(C(=O)C(F)(F)Br)cc1 575357342 DOBJCZBGANNRHN-UHFFFAOYSA-N 333.216 5.370 30 40 EKEB Cc1cc(N2CCCC2)ccc1/C=N/c1cccc(Br)c1 558906 ZEUVDDFLJXCSKE-DEDYPNTBSA-N 343.268 5.108 30 40 EKEB CCCCCCC[C@H]1CCc2nc(-c3ccc(F)cc3)ccc2C1 3108564 PXYCAPBWYRRLNH-KRWDZBQOSA-N 325.471 6.353 30 40 EKEB Cc1ccc(/N=C/c2ccc(C#N)cc2)cc1/N=C/c1ccc(C#N)cc1 3236568 OLTKLOBHVQCRAV-JQMRRPHZSA-N 348.409 5.240 30 40 EKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCN 95803329 VPHOSDZKGZRSAI-KTKRTIGZSA-N 325.537 5.526 30 40 EKEB CCCCCCCCOc1ccc(C(=O)c2cccc(OC)c2)cc1 102580492 IODHZPRMCJINBF-UHFFFAOYSA-N 340.463 5.666 30 40 EKEB C=CC(C)(C)c1cc(=O)c2cc(CC=C(C)C)cc(CC=C(C)C)c2[nH]1 225420961 ABKNBGRNCFAEPT-UHFFFAOYSA-N 349.518 6.009 30 40 EKEB biogenic,in-vitro Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1[N+](=O)[O-] 408618662 DVUBYPUMSDWXMN-PKNBQFBNSA-N 333.343 5.059 30 40 EKEB C=CCc1cc(C=O)cc(OCC)c1OCc1ccc2ccccc2c1 408852140 CNHIWRZUXNSHKF-UHFFFAOYSA-N 346.426 5.359 30 40 EKEB C=CCOc1c(CC=C)cc(CNc2ccc(C)c(C)c2)cc1OC 409112247 CBFWZRXUVZLFPB-UHFFFAOYSA-N 337.463 5.217 30 40 EKEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccccc1 1878924 YRVXLZXCGBCIDL-UHFFFAOYSA-O 327.860 5.286 30 40 EKEB O=C1/C(=N\Nc2ccc(Cl)cc2)Sc2ccc3ccccc3c21 4499531 HZZAHHZPJYANOV-DYTRJAOYSA-N 338.819 5.207 30 40 EKEB Cc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)cc1 55129799 CGOMZYXEEFLBOD-BUHFOSPRSA-N 343.470 5.187 30 40 EKEB C(#CP(C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1 104186133 APTNCZDJACCTRQ-UHFFFAOYSA-N 334.358 5.496 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(Cl)cc1 254348042 SEASQOUBARUBJW-UHFFFAOYSA-N 340.879 5.597 30 40 EKEB C#CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 408692958 ZGTFFQFXBWXNLH-BUHFOSPRSA-N 326.395 5.056 30 40 EKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 4747131 HXCUOMWEFYLIDI-SPLOXXLWSA-N 335.472 5.507 30 40 EKEB CC(C)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 5189579 KQBJJRUFRDATKY-LICLKQGHSA-N 326.439 6.373 30 40 EKEB CCCCCCCCCCCCCCCCOC[C@@H]1COC(=O)O1 8431266 XWKFINNRGOHTHO-LJQANCHMSA-N 342.520 6.020 30 40 EKEB Clc1ccc(/N=C(/Oc2ccc(Cl)cc2)c2ccccc2)cc1 17060116 IYTWTCYGDXHRGK-ZBJSNUHESA-N 342.225 6.151 30 40 EKEB Clc1cccc(Cl)c1/C=N/c1ccc(Oc2ccccc2)cc1 100031425 BPFWRPGDJAVGLD-LPYMAVHISA-N 342.225 6.536 30 40 EKEB CCCCCCCc1ccc(C(=O)c2ccnc3ccccc23)cc1 100165744 XOWSFHBHXYCDGD-UHFFFAOYSA-N 331.459 5.979 30 40 EKEB CC(=O)c1cccc(/N=C\C=C2/C=C(c3ccccc3)OC(C)(C)O2)c1 100734128 JXYGEADZRMSNEQ-WUPJPBJUSA-N 347.414 5.299 30 40 EKEB COc1ccc(C)cc1/N=C/c1ccc(OCc2ccccc2)cc1 3229262 ZGOJGXLSPCYVBC-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB C/C(=N\OCCOc1ccccc1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084874 ORKWGMPNXNPHAW-WGEODTKDSA-N 337.463 5.385 30 40 EKEB CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 4180331 YGBCLRRWZQSURU-LYBHJNIJSA-N 343.474 5.705 30 40 EKEB N#Cc1ccccc1CSc1nc2ccccc2n1-c1ccccc1 6509785 CAPWLWHFNBUTEL-UHFFFAOYSA-N 341.439 5.189 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 16427873 DXHUYFBWXMOGCI-FPLPWBNLSA-N 326.610 5.455 30 40 EKEB CCC(CC)c1cc[n+](Cc2ccc(-c3ccccc3C#N)cc2)cc1 74206106 XQFJSIWDFHGMRG-UHFFFAOYSA-N 341.478 5.465 30 40 EKEB COc1cccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)c1 95930997 NYOTZDGFRFCTET-PFONDFGASA-N 344.410 5.170 30 40 EKEB C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@@H](OC)OC1=O 96023733 AXVHMYNDGVQIQD-UZUZRIADSA-N 332.484 5.021 30 40 EKEB biogenic CCCCCCCCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1 100302535 MYRDUMWBYFOSFH-GOSISDBHSA-N 347.499 5.478 30 40 EKEB N#Cc1c(/N=C/c2ccccc2)oc(-c2ccco2)c1-c1ccco1 100419472 YYHLMRCZYKPKSI-LPYMAVHISA-N 328.327 5.422 30 40 EKEB CCCCCCCC[C@H](c1ccc2cccnc2c1O)N(CC)CC 100921761 YPTOUOXVXBPDPR-HXUWFJFHSA-N 342.527 6.074 30 40 EKEB O/N=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 216849034 RPFUYGCITVSKPL-KPSZGOFPSA-N 348.588 5.173 30 40 EKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccc(C)cc2)cs1 408737691 VEOZYEZCKLKQHK-FYJGNVAPSA-N 349.459 5.129 30 40 EKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OC 409113682 FQUGIALJBBPJKR-UHFFFAOYSA-N 345.870 5.396 30 40 EKEB O=C1/C(=C/c2ccc(Cl)cc2)CC[C@H]1CNc1ccc(Cl)cc1 1625966 JOAUFDHOAGJLJG-GOFCXVBSSA-N 346.257 5.468 30 40 EKEB CCC1=C(c2ccccc2)Oc2ccccc2[C@@H]1C#Cc1ccccc1 2157714 VVYOPMIBVYFJPK-JOCHJYFZSA-N 336.434 6.036 30 40 EKEB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N/O 4024915 SUIVXLJKUVOXKD-LGRGXZJXSA-N 345.571 7.142 30 40 EKEB C#CCOc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 6295439 FCBFPIXLJIPVKU-HAVVHWLPSA-N 327.383 5.242 30 40 EKEB CCCCCCCOc1ccc(C(=O)c2cnc3ccccc3c2)cc1 100594262 JOOWEJVIWMKXOQ-UHFFFAOYSA-N 347.458 5.815 30 40 EKEB O=C(/C=C\Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 100974989 RRCNGJUMUBUKKK-YPKPFQOOSA-N 333.818 5.816 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(F)cc2F)c1C 197853301 YNEHTDVEBGVQEP-ZMOGYAJESA-N 338.401 5.685 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223475633 LLFAOOUOHSBCSE-KRWDZBQOSA-N 339.504 5.381 30 40 EKEB Cc1cc(/C=N/c2cccc3cccnc23)c(C)n1-c1ccc(F)cc1 408737509 CEIUMJKHTMBESY-AFUMVMLFSA-N 343.405 5.532 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)cc1C 408740514 LGLUYWAKRNKUEQ-QRVIBDJDSA-N 336.866 6.115 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc(C(=O)O)c3)c2C)cc1C 15225837 VGOVYMIITYCWLC-QRVIBDJDSA-N 346.430 5.160 30 40 EKEB CCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 100314673 HHLOWLJPBRFFKM-RCCKNPSSSA-N 325.408 5.095 30 40 EKEB Cc1ccc(C(=O)/C=C/Sc2ccc(Br)cc2)cc1 134186 RTQOZDHMZZKUSE-ZHACJKMWSA-N 333.250 5.246 30 40 EKEB FC(F)(F)c1ccc(NN=C2CCCCCCCCCCC2)nc1 4181489 LGFRDWNJSOGNFO-UHFFFAOYSA-N 341.421 6.173 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OCC 6880708 DXZMUTVGBPHQPW-LPYMAVHISA-N 345.870 5.895 30 40 EKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccccc1 13601387 SQOYNCWBIPYBTF-BUVRLJJBSA-N 325.415 5.393 30 40 EKEB COc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl 59249261 FHAVHJCGVIJYCF-CIAFOILYSA-N 345.229 5.543 30 40 EKEB O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)c1ccccc1-2 104334024 GKAFZNCHCNMDBB-VZCXRCSSSA-N 334.762 5.398 30 40 EKEB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]21C 253617320 IVXCPPFOKIYBRE-CHCWYRICSA-N 328.540 5.420 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1[N+](=O)[O-] 408739770 FOGHQWODBGJUEV-FYJGNVAPSA-N 339.439 5.577 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C 408961002 PRQIDJDXAOAHBX-AFUMVMLFSA-N 348.465 6.163 30 40 EKEB CCOc1ccc(/C=C2/CC/C(=C\c3ccc(OCC)cc3)C2=O)cc1 214421 UDQWEEICBYIJSL-VBGLAJCLSA-N 348.442 5.314 30 40 EKEB Clc1ccc(/N=C/c2ccc(Br)cc2)cc1Cl 501415 SZQDKHCTKBHOIS-CAOOACKPSA-N 329.024 5.507 30 40 EKEB C=CCn1c(C)c(/C=C2\Sc3ccccc3C2=O)c2ccccc21 408813357 PIGKTHCMDQYRDQ-MOSHPQCFSA-N 331.440 5.465 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2)cc1Cl 409016165 SPWXZUMADRKUEG-XMOVILSBSA-N 345.826 5.055 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(O)cc3)cc1)C2 439149 PBOLAGPFAYFWFJ-ZMOGYAJESA-N 342.442 5.280 30 40 EKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(C)c1O 568993 WOIVKIZIKMMMNP-ZICWZVMQSA-N 346.268 5.727 30 40 EKEB O=C(/C(Cl)=C/N(C1CCCCC1)C1CCCCC1)C(F)(F)F 3183295 CHTXUFVKIZJFBM-KAMYIIQDSA-N 337.813 5.165 30 40 EKEB CCCCCCCCCC(=O)Oc1cc(C)c(Cl)cc1C(C)C 8453337 HNUKGXKDZRZRFP-UHFFFAOYSA-N 338.919 6.818 30 40 EKEB C(=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)\c1ccc2ncccc2c1 12602352 NNQNMVDBJBDQRM-MFKUBSTISA-N 348.409 5.529 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccs3)cc1)C2 100102545 WMFORAOJPNYYHH-WSDLNYQXSA-N 332.472 5.636 30 40 EKEB C(=N/c1ccc(-c2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1 348270 GABRIJCNEJQZLY-DFEHQXHXSA-N 340.382 6.041 30 40 EKEB CCCCCCCCCCCCCCCC[n+]1ccc(/C=N\O)cc1 8691600 AUFXLGAHNYXCPW-UHFFFAOYSA-O 347.567 6.264 30 40 EKEB N#Cc1c(/N=C/c2ccccc2Br)sc2c1CCCC2 101655534 LPTJXAHLXGYTTM-VXLYETTFSA-N 345.265 5.012 30 40 EKEB CCCCCCCCNCc1ccc2c(c1)c1ccccc1n2CC 105342279 HZHJDRQHUZSPIZ-UHFFFAOYSA-N 336.523 6.265 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(Cl)cc1Cl)C2 96370 REBJMFRQDKSDHF-VSMWYSFMSA-N 340.250 5.352 30 40 EKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C#N)C1 998334 DIEZAPPUKZHQSI-GFCCVEGCSA-N 342.464 5.006 30 40 EKEB CC1(C)CC(=O)C2=C(C1)N[C@H](c1ccccc1)C=C2c1ccccc1 585145582 RUVDWWJBUMIWJU-IBGZPJMESA-N 329.443 5.058 30 40 EKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 12406396 ZIBCDVQPZLGYBP-BUABVIFSSA-N 332.447 5.002 30 40 EKEB CCCCCCCCCC[C@H](C(=O)c1ccccc1)N1CCOCC1 100693565 RXYANZFODBXODW-OAQYLSRUSA-N 345.527 5.101 30 40 EKEB Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1C1CCCCC1 408740026 HUONRHPBNFFNQH-WSDLNYQXSA-N 349.305 6.668 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1C 409208043 AJYDTEPPNSMCEN-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CCOc1ccccc1/N=C\c1ccc(Sc2ccc(C)cc2)cc1 409234528 NLUFGDUQLPIMLM-KQWNVCNZSA-N 347.483 6.296 30 40 EKEB C=CCc1cc(C=O)cc(OCC)c1OCc1cccc2ccccc12 5651998 WEYIUFOMOKGIIR-UHFFFAOYSA-N 346.426 5.359 30 40 EKEB O=C1CCCCC/C1=C\Nc1ccc(Oc2ccccc2Cl)cc1 6896552 HLCSPMTYCRAQKP-CCEZHUSRSA-N 341.838 5.961 30 40 EKEB CC1=CC(C)(C)N2C(=O)/C(=N/c3cc(C)cc(C)c3)c3cc(C)cc1c32 14671497 GMVSVXPTTPWAEJ-HIXSDJFHSA-N 344.458 5.275 30 40 EKEB COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242196 HAIRPEQOYZLSKJ-PCLIKHOPSA-N 345.486 5.914 30 40 EKEB Oc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 409014860 LSGSZABKXADWNE-JAIQZWGSSA-N 331.202 5.240 30 40 EKEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 409039297 CHGGARSJGQYYSU-UFFVCSGVSA-N 346.213 5.534 30 40 EKEB Cc1ccccc1N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 1505839958 TWQGPNAGBZNVHF-FSJBWODESA-N 344.336 5.720 30 40 EKEB CCOC(=O)c1oc2ccc(/C=N/C3CCCCC3)c(Cl)c2c1C 1104735 YLMHJBBTEPYSIN-SRZZPIQSSA-N 347.842 5.323 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1Cl 409110733 GDIQUFVPLLWLKS-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB CC(C)CC[C@@]1(CC/N=C/c2ccccc2)CCO[C@@H](C(C)C)C1 4073215 JAPHEBBQVFDOLP-WGEODTKDSA-N 329.528 5.753 30 40 EKEB biogenic Cc1cccc(C(=O)Nc2ccc(/N=C/c3cccc(C)c3O)cc2)c1 5547993 DPBNAUHTMDOXHK-OEAKJJBVSA-N 344.414 5.012 30 40 EKEB Cc1ccc(N/C(S)=N\CCSc2ccc(Cl)cc2)cc1 13543862 SLIIHRMQGFXOGC-UHFFFAOYSA-N 336.913 5.138 30 40 EKEB COc1cccc(C(=O)/C=C\c2c3ccccc3cc3ccccc23)c1 33374026 ZTGGZWGYZYLMOH-YPKPFQOOSA-N 338.406 5.898 30 40 EKEB O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1 61694 HFPDZRXMUSWTIF-HYARGMPZSA-N 335.790 5.310 30 40 EKEB CCCCCCCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1669478 DCPWNRCJDQHBEH-FCHUYYIVSA-N 325.496 5.411 30 40 EKEB C=CCn1c(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n[nH]c1=S 3379420 QESHQHWJPSSAJK-GFCCVEGCSA-N 333.526 5.006 30 40 EKEB C/C(=N/N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 5412026 IORKPAAAIQLYFG-MFYXSQMNSA-N 336.438 6.226 30 40 EKEB COc1ccc2c(c1)CC/C(=C/c1ccc(Cl)c(Cl)c1)C2=O 6646641 HSGZWEQLSBNSAG-JYRVWZFOSA-N 333.214 5.215 30 40 EKEB CC(=O)/C(=C\c1ccc(-c2ccccc2)s1)C(=O)Nc1ccccc1 8941592 AYUXVCZDMISOLL-XMHGGMMESA-N 347.439 5.026 30 40 EKEB CCOC(C/N=C/c1cc(C)c2oc3ccccc3c2c1C)OCC 18145041 YDFIPVFXNCYESY-WSDLNYQXSA-N 339.435 5.021 30 40 EKEB O=C(/C=C\c1sccc1Oc1ccccc1)c1ccc(Cl)cc1 33376397 FTTBSDFYQAREHZ-KHPPLWFESA-N 340.831 6.090 30 40 EKEB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)Sc2ccccc21 59503520 HWCMYXPSTZPZEC-STZFKDTASA-N 344.435 5.595 30 40 EKEB CCCCCCCOc1cccc(NCCOc2ccccc2C)c1 100038798 MELBAKYWIYYNLE-UHFFFAOYSA-N 341.495 5.835 30 40 EKEB CCCCCCCCOc1ccc(NC(=O)/C=C/c2ccco2)cc1 100286158 IGMQSIKHAOXERR-CCEZHUSRSA-N 341.451 5.671 30 40 EKEB CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526093 FKABVZCIYRFXBN-UHFFFAOYSA-N 344.452 8.055 30 40 EKEB CCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103530986 NSXNJKSTXCFDRM-FOCLMDBBSA-N 342.436 7.831 30 40 EKEB CCCCCCCCCCCC1=NC[C@H](C[C@H](C)CC(C)(C)C)O1 104043203 JHOWWIRKZSMQAQ-PMACEKPBSA-N 337.592 7.167 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(OC)cc3)cc2[C@H](C)CC1(C)C 260562947 DEBFPXDDIQSXRG-AJIWAEEYSA-N 336.479 5.558 30 40 EKEB C#CCOc1ccc2ccccc2c1/C=N/c1sc(C)c(C)c1C#N 408820425 WBGULUFHFWKFGF-YDZHTSKRSA-N 344.439 5.152 30 40 EKEB N#Cc1cc(-c2ccc(Cl)cc2)cnc1Oc1ccc(F)cc1F 1391861 WCSGVEJGPDMGCE-UHFFFAOYSA-N 342.732 5.344 30 40 EKEB COc1ccccc1/C(=N\c1ccc(C)cc1)Nc1ccc(C)cc1 2597407 FDWQBCFORWJMMC-UHFFFAOYSA-N 330.431 5.502 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(F)c2C)cc1 44843342 FRFCUGVERYVICE-OUKQBFOZSA-N 327.399 5.122 30 40 EKEB CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525273 PFFDJSYFHFNXJA-UHFFFAOYSA-N 326.149 5.280 30 40 EKEB F/C(=C\CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531072 SVNSBMNCCQAJBL-IWQZZHSRSA-N 346.086 5.260 30 40 EKEB Clc1ccccc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 484834 QISGBPRFLVRFBN-WSDLNYQXSA-N 333.778 5.294 30 40 EKEB FC(F)(F)c1cccc(/N=C2\SCCN2C2CCCCC2)c1 3346318 UGPNAPYBZOUTFG-HKWRFOASSA-N 328.403 5.074 30 40 EKEB Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(Cl)cc3)cc2c1 4349952 HIWNWVKDNVZSIG-WEVVVXLNSA-N 342.225 5.746 30 40 EKEB C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(N2CCCC2)cc1 7095860 AHRLLGNPCHSTPT-HKOYGPOVSA-N 342.442 5.830 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccccc2Cl)c1 8368209 WIEIBTBMOPAWTQ-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CC(=N\c1cccc2ccccc12)/C(C)=N/c1cccc2ccccc12 15230321 BOBLHEBXJSYADL-RPCRKUJJSA-N 336.438 6.878 30 40 EKEB Clc1ccc(C/N=C(\Nc2ccccc2)NC2CCCCC2)cc1 17837551 JCTOPHRZYRAFTP-UHFFFAOYSA-N 341.886 5.230 30 40 EKEB Cc1cccc(-c2nc3cc(/N=C/c4cccc(C)c4O)ccc3o2)c1 341862 PVXLJGBXMAFWNU-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)c(C)c1 3193054 REYGXSZWSPEKTB-ZVHZXABRSA-N 330.475 6.078 30 40 EKEB CSc1cccc(/N=C/c2ccc(-c3ccccc3Cl)o2)c1 3218828 KUNNAADRAAVLKN-UDWIEESQSA-N 327.836 6.073 30 40 EKEB N#C[C@@H](c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 4685288 SRQRABGFISPHTD-GOTSBHOMSA-N 337.426 5.103 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3)c2C)cc1 5337641 OKACNEMNRGRJHH-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB CCCCCCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 59662067 AABBQYHAAHYZOP-UHFFFAOYSA-N 331.481 5.000 30 40 EKEB O=[N+]([O-])c1ccc(/C=N/c2c3ccccc3nc3ccccc23)cc1 101670299 HIACURRTYPFQID-FYJGNVAPSA-N 327.343 5.047 30 40 EKEB CCCCCCCCNCc1cc(Cl)cc(Cl)c1OCC 102561701 JEHCXDJZEHPSQN-UHFFFAOYSA-N 332.315 5.842 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCOS(C)(=O)=O 103676462 SFCVHVDJESFESU-ZHACJKMWSA-N 346.577 6.000 30 40 EKEB Cc1ccc(C(=O)/C=C\Sc2nc(-c3ccccc3)cs2)cc1 16291728 FOHBRVNEXOJLNC-QXMHVHEDSA-N 337.469 5.607 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCOP(=O)(O)O 43470094 MEESPVWIOBCLJW-MDZDMXLPSA-N 348.464 6.133 30 40 EKEB FC(F)(F)c1ccccc1-c1ccc(/C=N/Nc2ccccc2)o1 59219951 SJDKIIUYWPMJOA-WSDLNYQXSA-N 330.309 5.411 30 40 EKEB CCCCCCCCCCOc1c(Cl)cc(C=O)cc1OC 98005223 BCGXVWXKBFQZCY-UHFFFAOYSA-N 326.864 5.681 30 40 EKEB CCCCCCC[C@@H]1C[C@@H](OCC)O[C@H](CCCCCCC)O1 104338433 XPYMDCBCTBGJKN-AQNXPRMDSA-N 328.537 6.202 30 40 EKEB C=C(C)COc1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 219790556 NPKFWJHRHAEMQU-OAQYLSRUSA-N 337.463 5.159 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3cccc4ccccc34)c2C)c1 408756189 XXMBNDZDXRZWPV-PCLIKHOPSA-N 338.454 6.306 30 40 EKEB C/C(=N\OC(=O)c1ccc(C)cc1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084796 ABRMQAQDGKDZDO-HIZWDZHASA-N 335.447 5.455 30 40 EKEB Cc1c(C#N)sc(/N=N/c2ccc(O)c(Cl)c2Cl)c1C#N 16249590 XXWWVVBLDUIUIL-VHEBQXMUSA-N 337.191 5.228 30 40 EKEB FC(F)(F)c1ccc(/N=C/C2=C(Cl)c3ccccc3CC2)cc1 100406259 LLKBAQNMYYMZAR-FOKLQQMPSA-N 335.756 6.004 30 40 EKEB CC[C@@H](C)Oc1ccccc1/C=N/Nc1ccc(Br)cc1 408601846 LOMSAQVDBSPNEA-KZKLBEMASA-N 347.256 5.072 30 40 EKEB CCOc1ccccc1/N=C\c1cccn1-c1ccc(C)c(Cl)c1 409010369 KDTZHXVWDXFAKE-HMAPJEAMSA-N 338.838 5.588 30 40 EKEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409085731 ZTXJWFPFAMWDAW-OHHQFBAHSA-N 336.504 5.830 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc2ccccc2c1 409221523 RMMZICRBHJVQKT-ULJHMMPZSA-N 344.458 5.589 30 40 EKEB C/C(=N\c1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Cl)s1 483637 QLSGFRJGWWXOSY-NMHTZJHHSA-N 334.897 5.600 30 40 EKEB COc1ccc(/C=N/c2ccccc2NC2=CC(=O)CC(C)(C)C2)cc1 5764720 ZUKQUTBTLYENAM-HZHRSRAPSA-N 348.446 5.131 30 40 EKEB Cc1ccc(-c2csc(/C=C/c3ccccc3OCC#N)n2)cc1 6087430 JEKRTELINOVTLW-ZHACJKMWSA-N 332.428 5.191 30 40 EKEB N#Cc1ccc(CSCc2csc(-c3ccc(F)cc3)n2)cc1 12813397 RNLMYGFHGMKYNH-UHFFFAOYSA-N 340.448 5.254 30 40 EKEB O=C1C(=O)/C(=C/c2ccccc2)CCCCCC/C1=C/c1ccccc1 31669917 GPQZWIGTGCTQJK-QGFZOGOGSA-N 344.454 5.646 30 40 EKEB CCc1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 408765181 ZWEGYHANSLEMLT-LFVJCYFKSA-N 330.475 5.970 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccccc2)c1C 408858945 RQQMNXJEGHLIEM-HZHRSRAPSA-N 331.463 5.411 30 40 EKEB CCCC#Cc1ccc(C#Cc2ccc(SCCCC)s2)cc1 2049105 NVDSCCQLXIUPKW-UHFFFAOYSA-N 338.541 6.192 30 40 EKEB CCCOc1ccc(/C(C)=N/Nc2ccccc2C(F)(F)F)cc1 6673920 OOOQXOJAEBBEMK-LPYMAVHISA-N 336.357 5.330 30 40 EKEB Cc1ccc(COc2cccc(/C=C/C(=O)c3ccccc3)c2)cc1 62165979 KVXUKLOYTLXOIY-CCEZHUSRSA-N 328.411 5.470 30 40 EKEB C=C(C)COc1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 219790489 NPKFWJHRHAEMQU-NRFANRHFSA-N 337.463 5.159 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)cc1C 219818481 OYOIYOWXPCYLHU-LJQANCHMSA-N 339.504 5.463 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)c1 408762498 LCTVKWMJKUBYOD-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB Cc1oc(/N=C/c2ccccc2OCc2ccccc2)c(C#N)c1C 408954946 NVXAVHRVVQWQFB-YDZHTSKRSA-N 330.387 5.098 30 40 EKEB CCO/C(=N/c1cccc2ccccc12)Nc1cccc2ccccc12 1711206 BVHOBSVOYAJCCC-UHFFFAOYSA-N 340.426 6.129 30 40 EKEB C=CCn1c(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n[nH]c1=S 3379418 QESHQHWJPSSAJK-LBPRGKRZSA-N 333.526 5.006 30 40 EKEB CCCC1CCC(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 5445295 XQRDQMNBZTUFJY-UHFFFAOYSA-N 343.349 5.372 30 40 EKEB O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nc2ccccc2o1 5605050 ACJPZAMGGKYCCY-YVLLMWTCSA-N 342.464 5.585 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C/c1ccc(Br)cc1)C2 6393428 XYGAANCAHHIAOL-HNLVXUKPSA-N 333.273 5.070 30 40 EKEB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(COCCC#N)CCC[C@@]21C 8579831 KNDKKHHPKWWADZ-VJBWXMMDSA-N 339.523 5.751 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CCC(C)=O 8767314 RUJSTMILPJJENL-JJFXEYKMSA-N 330.556 6.881 30 40 EKEB Cc1ccccc1CSc1noc(-c2cccc(Cl)c2)c1C#N 13984312 KMUZXTFSDQLQDV-UHFFFAOYSA-N 340.835 5.467 30 40 EKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccccc1 58822644 IPZJMRZAXIDYFD-XQNSMLJCSA-N 346.430 5.110 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1 101474424 SLYJNWCFUIQJRA-UHFFFAOYSA-N 340.507 6.952 30 40 EKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4ccco4)cc3)[C@H]2C1 408936486 KLLFQFVYOQJMJJ-HHPFVMFBSA-N 340.426 5.857 30 40 EKEB Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)o1 4544888 GILUJSWGFKYLEA-PXLXIMEGSA-N 327.387 5.191 30 40 EKEB Fc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1F 4919103 JFGXCQCSNJETCD-KPSZGOFPSA-N 335.568 5.371 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2c(C)cc(C)cc2C)cc1 51318525 ULNAOYJWYXSYBP-VAWYXSNFSA-N 337.463 5.599 30 40 EKEB COc1cccc(C(=O)/C=C/c2cc3ccc(C)cc3nc2Cl)c1 96997103 IWBNZLBVTKPUJX-CMDGGOBGSA-N 337.806 5.101 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1 101472047 NHIOSOQUYUWFRH-UHFFFAOYSA-N 329.311 7.097 30 40 EKEB F/C(=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 575330461 OIFVPOGZPDZZRO-HNQUOIGGSA-N 346.086 5.260 30 40 EKEB CCc1ccc(C(=O)/C=C/Sc2c(Cl)cccc2Cl)cc1 2556089 CUURGHBEFGQMRX-ZHACJKMWSA-N 337.271 6.045 30 40 EKEB O=C(/C=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1O 16952672 GAEMJKLKHLMWKN-CCEZHUSRSA-N 339.394 5.437 30 40 EKEB C[C@@H](/N=C\c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 18066025 IRTLACODQRXYTJ-XCXGMHGSSA-N 336.306 6.017 30 40 EKEB COc1cccc(/C=N/c2ccc(C)cc2)c1OCc1ccccc1 100384090 NXDMHUPCJUOMKO-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB CC(C)c1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 409057906 MVMARYWDIVNZMH-WUKNDPDISA-N 341.454 6.286 30 40 EKEB O=C(/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 6514038 OBOJHUWHVNHVFZ-HKWRFOASSA-N 329.355 5.018 30 40 EKEB CCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 10118884 BHJBKZHARFKVDF-OEAKJJBVSA-N 338.838 5.016 30 40 EKEB Cc1ccc(Cl)c(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 32138866 OCKKHGTZLKGBAA-BUHFOSPRSA-N 347.845 6.124 30 40 EKEB CN(C)c1oc(/C=N/c2cccc3ccccc23)cc1Br 59104327 SFCDYROQJFSROY-YBFXNURJSA-N 343.224 5.012 30 40 EKEB Cn1nc(-c2ccccc2)c(/C=N/c2ccc(Cl)cc2)c1Cl 100271446 HZOJSEHOLZIOQU-RGVLZGJSSA-N 330.218 5.145 30 40 EKEB CCOc1ccc(Cl)cc1/C=N\c1ccccc1Br 409121920 ZDIFSCXZYDMHKO-ZDLGFXPLSA-N 338.632 5.252 30 40 EKEB Cc1cccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 409211980 PLEOKJCKVGGQAR-ZDXHCBJDSA-N 337.492 5.225 30 40 EKEB N#Cc1c(/N=C/c2c(Cl)cccc2Cl)sc2c1CCCC2 1956281 OHBRFMPVTIBIJY-AWQFTUOYSA-N 335.259 5.556 30 40 EKEB CCN1c2cc(C)c(/C=N\c3ccccc3O)cc2[C@@H](C)CC1(C)C 223586126 JDFOLMGGHHBLSU-ZGWJWYQGSA-N 336.479 5.563 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)c1 408752524 BFJUEUNYYVFWNF-LPYMAVHISA-N 347.418 5.370 30 40 EKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(F)cc1 408778984 OFWGPVBAWMUOCN-JJFYIABZSA-N 342.801 5.343 30 40 EKEB CCCC(=O)C1=C(Nc2ccc3ccccc3c2)CC(C)(C)CC1=O 340906 WONWIEBWYSJBGW-UHFFFAOYSA-N 335.447 5.264 30 40 EKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccccc1 5485044 CPSIOMMKTXWBEV-HXUWFJFHSA-N 335.472 5.589 30 40 EKEB O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccco1 13597715 IXYCGFKKOOHELJ-LCPPQYOVSA-N 343.220 5.262 30 40 EKEB CCCCCCCCCCCCOC[n+]1cn(C)c2ccccc21 17376524 LZGJHLXODMHFTH-UHFFFAOYSA-N 331.524 5.361 30 40 EKEB O=C(/C=C/Nc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 33714729 JYVAKDIXDXGQLA-AATRIKPKSA-N 328.145 5.080 30 40 EKEB Cc1ccc(COc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 62165977 BLHXERZKGYVHHE-DTQAZKPQSA-N 328.411 5.470 30 40 EKEB C[C@@H](c1ccc(Cl)cc1)N(Cc1cc(C#N)ccc1F)C1CC1 65552717 PYGXARSAMKMLKA-ZDUSSCGKSA-N 328.818 5.076 30 40 EKEB ClC(/C=N/N=C/C(Cl)=C\c1ccccc1)=C/c1ccccc1 97442045 SHRQTSDSSHHVMU-ALRNTHCRSA-N 329.230 5.603 30 40 EKEB CCCCCCCCCCCOC(=O)NC(=S)c1ccccc1 106677737 ACZCRNDZLQSWCN-UHFFFAOYSA-N 335.513 5.619 30 40 EKEB Cc1cc(C)cc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 408739355 BEXZUIJDMIGDMV-OYKKKHCWSA-N 330.475 6.078 30 40 EKEB C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1 14593011 PTVDYMGQGCNETM-UHFFFAOYSA-N 328.411 5.098 30 40 EKEB O=C(/C=C/Nc1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1 33740775 WOMCRDRIAAHHPK-OUKQBFOZSA-N 335.353 5.440 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)cc1C(F)(F)F 100037401 IHQBDWZKLACLPU-IFRROFPPSA-N 334.124 5.468 30 40 EKEB CCCCCCCCCCCCCCCCSc1cccc(C)c1 104134631 XDNZZXTYZGYDJN-UHFFFAOYSA-N 348.640 8.568 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409109176 ZDFZVQZPWJIYAY-PFRBSUFTSA-N 346.430 5.440 30 40 EKEB C[C@@H](Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N)c1ccccc1 4450409 QEMJXDIHKMVPQV-LLVKDONJSA-N 348.393 5.703 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 8085008 HZLGVFFQFIUFME-BUVRLJJBSA-N 333.406 5.718 30 40 EKEB CCCCCCCCc1ccc(NC(=O)c2ccc(OC)cc2)cc1 68568954 FLLWNUNUXIRINF-UHFFFAOYSA-N 339.479 5.851 30 40 EKEB C=Cc1cc(C)ccc1C(=O)OCCCCCCCCCCCC 104206666 ICLPOFWJMQBYPF-UHFFFAOYSA-N 330.512 6.716 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Cl)cc1 408859646 VYCIDHIOVDSEJF-CIAFOILYSA-N 345.229 5.543 30 40 EKEB Cc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1 409022400 NBJLAGFJXFZBNZ-NDENLUEZSA-N 343.904 6.612 30 40 EKEB O=C1/C(=C\c2ccc(Br)cc2)CCCc2ccccc21 104126 MKLUVKHXILPJIR-QINSGFPZSA-N 327.221 5.052 30 40 EKEB C/C(Cc1nc2ccccc2[nH]1)=N\N(c1ccccc1)c1ccccc1 25326029 FQTRIVPDSFAHJA-KOEQRZSOSA-N 340.430 5.320 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O 100935826 VXWVCNGEOMSYLB-UHFFFAOYSA-N 341.495 6.352 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(CCCC)cc1 101470768 UWPPAOVGVZDFRD-UHFFFAOYSA-N 344.583 7.913 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)(C)C)cc3)c2C)cc1 408739461 WOEVADOBQWXYKH-PCLIKHOPSA-N 344.502 6.451 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408912405 FSZDFBZAZPADES-YDZHTSKRSA-N 346.430 5.160 30 40 EKEB C#CCOc1c(Cl)cc(-c2nc3ccccc3s2)cc1OCC 409187679 APEMPYOTUFANLK-UHFFFAOYSA-N 343.835 5.027 30 40 EKEB O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c(ccc3ccccc13)N2 204269 KHSPGRPNJIGVDT-NRFANRHFSA-N 341.410 5.110 30 40 EKEB N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 245072 FXZXRPIGAPLYTK-UHFFFAOYSA-N 349.393 5.026 30 40 EKEB CC(=O)c1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 437953 FETZWQVLJAAJRP-ZVHZXABRSA-N 340.426 5.160 30 40 EKEB C/C(Cc1ccccc1)=N/Nc1nc(-c2c[nH]c3ccccc23)cs1 983735 BNOPCGBTASFHIV-UCQKPKSFSA-N 346.459 5.322 30 40 EKEB COc1ccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)cc1 197565696 ZZKZZKRRSZUIFR-CIAFOILYSA-N 328.774 5.029 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl 6880710 LDJOYJJWPQDCJV-SRZZPIQSSA-N 336.262 6.150 30 40 EKEB Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccccc2Cl)cc1 16292627 NAVTXXYGCSWSQX-UHFFFAOYSA-N 334.850 6.147 30 40 EKEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408738046 MLCFCQVCUNSOBM-HZHRSRAPSA-N 346.430 5.021 30 40 EKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 6962571 OUKZPUHFXOQGHW-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB Cc1ccc(C)n1-c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 59104851 DFFWZPOXHGVAQN-JJIBRWJFSA-N 343.474 5.445 30 40 EKEB COc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 59474499 CNDDVQLPULNSNZ-CIAFOILYSA-N 346.342 5.253 30 40 EKEB CCN1c2cc(C)c(/C=N/Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223572276 LXSVGQUNNFSVLE-BDFKGGEMSA-N 335.495 5.553 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 408737355 CJOMJHVHAPIEKM-LPYMAVHISA-N 347.418 5.370 30 40 EKEB Cn1cc(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 408811883 ATKHOSPEBUSMIS-XQNSMLJCSA-N 325.415 5.351 30 40 EKEB CCCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC 408980187 PSRHALMCFZJCJB-VZUCSPMQSA-N 344.838 5.424 30 40 EKEB Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1Cl 409368159 NTCWWRCRFBAYCH-LFIBNONCSA-N 334.802 5.731 30 40 EKEB O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccc(F)cc1 133715 JLUHMNYLTKDBQT-BQYQJAHWSA-N 327.207 5.621 30 40 EKEB Cc1ccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 412232 ICHSVCFGZQVCKJ-UHFFFAOYSA-N 346.455 5.007 30 40 EKEB Oc1ccc(/N=C/c2ccccc2F)cc1-c1nc2ccccc2s1 1952406 DPGRTJXPFCUWII-WSDLNYQXSA-N 348.402 5.559 30 40 EKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccccc2)cc1 17063470 OHJLFHLWELUDDH-QINSGFPZSA-N 336.431 5.459 30 40 EKEB CCCCCCCCCCCCCOS(=O)(=O)c1ccccc1 100310791 KRTNITDCKAVIFI-UHFFFAOYSA-N 340.529 5.703 30 40 EKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCOC 104129131 QVSXZMYXFFUFEW-KHPPLWFESA-N 339.564 5.787 30 40 EKEB CCCCCc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2)cc1 409356643 GUHYVUQGZJGMES-CCEZHUSRSA-N 327.855 5.881 30 40 EKEB CCCCCn1c(/N=C/c2cc(Cl)ccc2O)nc2ccccc21 2267577 WHODHFQELZBSIU-FYJGNVAPSA-N 341.842 5.336 30 40 EKEB Cc1cc(C)c(N=C(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1 3219783 LRTLTOCANLQBLW-UHFFFAOYSA-N 335.397 6.059 30 40 EKEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ccc3ccccc13)N2 4930194 AGKCPUFOQAUKHV-OAQYLSRUSA-N 325.411 5.404 30 40 EKEB Cc1ccc(-c2csc3ncnc(Oc4ccc(C#N)cc4)c23)cc1 8080693 KSPWFGJUYJBEDB-UHFFFAOYSA-N 343.411 5.331 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCOC[C@@H](O)CO 85478954 NRWMBHYHFFGEEC-GLCJEOIMSA-N 342.564 5.394 30 40 EKEB CCCCCCCc1ccc(C(=O)c2cncc3ccccc23)cc1 100594098 IQGCCVYUGWIKCU-UHFFFAOYSA-N 331.459 5.979 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 219807114 VWFMIDOENRLJML-UHFFFAOYSA-N 338.259 5.524 30 40 EKEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc2ncccc2c1 408965515 IDZOCFJMPXMIDE-OYKKKHCWSA-N 341.414 5.099 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C 409113711 GHBKGJLNEDFAHK-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB Cc1ccc2cc(/C=C/C(=O)c3c(C)coc3C)c(Cl)nc2c1 5603676 NSKKBNUHFIIUMA-VOTSOKGWSA-N 325.795 5.303 30 40 EKEB CC(=O)c1ccc(/N=C/C=C2\C=C(c3ccccc3)OC(C)(C)O2)cc1 100743020 VCJDIAWNVFLILL-OIGTWYQWSA-N 347.414 5.299 30 40 EKEB Oc1ccc2ccccc2c1/C=N/CC12CCC3C[C@@H](C[C@@H](C3)C1)C2 100920792 TYPJGUKCUWMYMK-XKINHMTFSA-N 333.475 5.571 30 40 EKEB CCCCCCCCCCCCOc1ccc(C(=N)N(C)C)cc1 102586349 RIFYEPOKYJRICA-UHFFFAOYSA-N 332.532 5.873 30 40 EKEB CN1/C(=C/C=N/c2ccccc2C(C)(C)C)C(C)(C)c2ccccc21 103448989 DXOWEYKZBIVSDL-XMGKXQPASA-N 332.491 5.998 30 40 EKEB CCCCCCCCCCCCOCCCCCCCCCCC 104180440 BGWLKTKHQMBLFA-UHFFFAOYSA-N 340.636 8.455 30 40 EKEB C=CC[N+]1(CCO)CCN=C1CCCCCCCCCCCCC 104344590 LEXUGUHBYUBYKG-UHFFFAOYSA-N 337.572 5.095 30 40 EKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc2ncccc2c1 140802655 JGYZFMFGIRDEFS-AFUMVMLFSA-N 343.405 5.532 30 40 EKEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(N2CCCCC2)cc1 197527759 UBXOEPOUBVULCM-NCELDCMTSA-N 340.470 6.095 30 40 EKEB Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@H](C)CC(C)(C)N2C 198080154 IUIDARHMPZOUAW-BFTFCADCSA-N 348.534 6.591 30 40 EKEB C=CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12 225943889 DPBAYKIUWDVWMW-UHFFFAOYSA-N 345.442 5.321 30 40 EKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 408765604 WOHBDNQVQRNBCT-OEAKJJBVSA-N 330.431 5.356 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)cc1 409189028 HHAUHIPMQYWUAZ-HAHDFKILSA-N 332.447 5.552 30 40 EKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 4158520 FFMPFCXTUDYXFG-PKNBQFBNSA-N 333.343 5.059 30 40 EKEB C/C(=C\C(=N/N=C\c1ccccc1O)c1ccccc1)c1ccccc1 16919677 KGFIXCIEGNPCNP-BEBMDQANSA-N 340.426 5.319 30 40 EKEB CCCCC1CCC(c2nc(C#N)c(NCc3ccncc3)o2)CC1 27748633 DKXHZRHDHRCHAZ-UHFFFAOYSA-N 338.455 5.017 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C2 100006277 REBJMFRQDKSDHF-OTILVPNISA-N 340.250 5.352 30 40 EKEB COc1ccc(N/C=C2\C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 100363652 AMEKIKUAIQBPMS-GYZZIOIESA-N 341.410 5.019 30 40 EKEB N#Cc1c(/N=C\c2c(Cl)cccc2Cl)sc2c1CCCC2 101206577 OHBRFMPVTIBIJY-UKWGHVSLSA-N 335.259 5.556 30 40 EKEB CCCCCCCNC(=N)c1ccc(C(=O)OC2CCCCC2)cc1 104091892 KNINZGVSHZTFRC-UHFFFAOYSA-N 344.499 5.061 30 40 EKEB C=CCOc1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 408629695 GHYAABVRKMKKKM-UHFFFAOYSA-N 343.382 5.403 30 40 EKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC 243277 KPFDVXVRWYGWBU-HZHRSRAPSA-N 347.414 5.033 30 40 EKEB CC(C)(CN1CCCCC1)C(=O)/C=C/c1c(Cl)cccc1Cl 1643501 ZUWZJLYAMVJEKA-MDZDMXLPSA-N 340.294 5.088 30 40 EKEB Cc1ccc(C(C)C)cc1NC1=C(Cl)C(=O)c2ccccc2C1=O 1677891 MWCCDCMBEFDFIX-UHFFFAOYSA-N 339.822 5.060 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCc3ccccc32)c1 3204525 HDWWNBHEKQCBQA-OAQYLSRUSA-N 348.490 5.332 30 40 EKEB CCCCCCCCCCCCNC(=O)c1c(OC)cccc1OC 8387024 YNQLPKRJJMIQGO-UHFFFAOYSA-N 349.515 5.355 30 40 EKEB C=CCOc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 8534526 YEOXSLQYNABWHZ-IZQOUKSCSA-N 325.496 5.090 30 40 EKEB CC/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 12524980 YAGONFDCQPODBW-CJLVFECKSA-N 344.245 5.768 30 40 EKEB C/C(Nc1cccc(Br)c1)=C1\Sc2ccccc2C1=O 100094445 KHTSANYAQYHGBZ-MHWRWJLKSA-N 346.249 5.081 30 40 EKEB CCCCCCCC#C[C@@]1([C@H](O)CC)Sc2ccccc2N1C 104267655 UDWLASNAODJLGE-UXHICEINSA-N 331.525 5.060 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@H](C)CCOC(C)=O 247913175 LZGVQJDYLAUCGI-CODJPFMTSA-N 348.527 5.334 30 40 EKEB biogenic,in-vitro C=CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OCC 408606584 ITWRAWZOXPPPDB-UHFFFAOYSA-N 335.806 5.055 30 40 EKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccccc3F)o2)ccc1Cl 226473 ZCRDSCAPVFYLBZ-KEBDBYFISA-N 344.729 5.398 30 40 EKEB C/C(=N\OCc1ccccc1F)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084839 FDRSCKXBTVRVSF-RHVVXLNXSA-N 325.427 5.645 30 40 EKEB Clc1ccc(N/N=C/c2c(Cl)cccc2Cl)cc1Cl 5834808 DEACUKPQARGDKO-CNHKJKLMSA-N 334.033 5.746 30 40 EKEB COc1ccccc1/C=C1/CC(C)C/C(=C\c2ccccc2OC)C1=O 13805259 NQYKRTOCIWKIQP-FANOUHKGSA-N 348.442 5.170 30 40 EKEB O=C(/C=C\c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 33373927 ZFZAYVVVWCCISH-ZCXUNETKSA-N 334.418 6.403 30 40 EKEB CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 39738113 CDLMGTMYJCSWTE-HWIVGSRNSA-N 330.512 5.382 30 40 EKEB Cc1ccc(N/C=C/C(=O)c2cnc(-c3ccccc3)s2)c(C)c1 100114043 SELVFFVGXMOFAW-ZHACJKMWSA-N 334.444 5.235 30 40 EKEB CCCCCCCNCc1ccccc1OCc1ccccc1Cl 102568364 BDZRUKDBBRYFHF-UHFFFAOYSA-N 345.914 5.979 30 40 EKEB Cc1ccc2sc(-c3ccc(/N=C/c4ccccc4O)cc3)nc2c1 58444 FGIFLAXYTXEONF-LPYMAVHISA-N 344.439 5.728 30 40 EKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)CCC[C@@H]3C 2228228 KYGCZRKUGJCQNC-LBPRGKRZSA-N 349.569 5.776 30 40 EKEB Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC(C)(C)C[C@@H]2C 3235413 PRXUBMOJTKQDOT-ZDUSSCGKSA-N 338.476 5.256 30 40 EKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 5254498 OXOJIKOXGJXKQN-MTJSOVHGSA-N 346.382 5.092 30 40 EKEB Cc1ccc(/C(=N/OC(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 5745108 ZQYBWWPTPNLFSG-HEHNFIMWSA-N 330.815 5.257 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\c1ccccc1 17186178 VATCRNPMYSZGFN-VZCXRCSSSA-N 340.879 5.597 30 40 EKEB C(=N\Nc1nc2ccccc2s1)\c1cccc(Oc2ccccc2)c1 31829236 UHEFCPUYMNTBLP-STZFKDTASA-N 345.427 5.535 30 40 EKEB CCCCCCCC[C@H](CCCCCCCCC#N)c1ccccc1 100298371 YISBZZIOJVHLBX-HSZRJFAPSA-N 341.583 8.165 30 40 EKEB O=C(/C=C/Sc1nc2ccccc2s1)c1ccc(Cl)cc1 134199 LENDLYABEQECQD-MDZDMXLPSA-N 331.849 5.438 30 40 EKEB CCCCCCCCCCOC(=O)Nc1cccc2ccccc12 1668683 DJMSZYYMTNVPCZ-UHFFFAOYSA-N 327.468 6.529 30 40 EKEB O=C1/C(=C/c2cc3ccccc3o2)CC/C1=C\c1cc2ccccc2o1 4696589 PYYCSKBATGPJKY-HBKJEHTGSA-N 340.378 6.009 30 40 EKEB O=C(/C(=C/c1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 7985533 KKOKJOPSPLDIHI-SQFISAMPSA-N 330.412 5.048 30 40 EKEB C[C@@H]1/C(=N\O)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 100839905 IXJNSRRYDLWBGA-IADJBYCMSA-N 349.261 5.235 30 40 EKEB CC/C(=N/O)c1ccc2cc(Br)c3ccccc3c2c1 104249354 XGZRVOLTGCVKOT-ZPHPHTNESA-N 328.209 5.344 30 40 EKEB N#Cc1c(NC(=O)CCC2CCCC2)sc2c1CCCCCC2 135614 NFPJNLCOWMNSKN-UHFFFAOYSA-N 330.497 5.188 30 40 EKEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1cccc(C)c1C 1455060 RCDIUKGDWWXQSV-UHFFFAOYSA-O 335.496 5.557 30 40 EKEB CC(C)(C)c1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1 2328562 GBJYULADQNTVHK-MOSHPQCFSA-N 342.512 5.168 30 40 EKEB CC(=O)/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 5601729 NPMHKEMZUVOLJB-JWGURIENSA-N 326.395 5.209 30 40 EKEB C#CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl 6295358 WPQRMNGIVSVLDF-UHFFFAOYSA-N 340.637 5.271 30 40 EKEB C=CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 44087552 ZAYNZIQFBNNMOD-UHFFFAOYSA-N 340.879 5.779 30 40 EKEB Oc1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409077227 CXGZPMMOTRXOMA-OYKKKHCWSA-N 347.458 5.316 30 40 EKEB FC(F)(F)c1ccccc1/N=C/c1ccccc1Br 384807 CBXGUQKPYXSOJC-DJKKODMXSA-N 328.131 5.219 30 40 EKEB Cc1ccc(N/C(S)=N\N=C2\CCCc3c(C)cc(C)cc32)cc1 8581657 MLNWQTPXGQRJLC-QOCHGBHMSA-N 337.492 5.050 30 40 EKEB CCCCCCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 105346663 CLIGUCAWRZCFLQ-KRWDZBQOSA-N 329.484 5.450 30 40 EKEB COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1 5649198 TWYBNKWJRLRNCS-SXGWCWSVSA-N 344.410 5.170 30 40 EKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 6277077 GGXZZBWKACNGPM-SEYXRHQNSA-N 341.332 5.667 30 40 EKEB CC(=O)c1ccc(OCc2ccc(-c3ccccc3C#N)cc2)cc1 23444433 VVEAGWYDQQEJBX-UHFFFAOYSA-N 327.383 5.007 30 40 EKEB CCCCc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59302722 XTYYFQWFMHCOIR-XQNSMLJCSA-N 336.866 6.224 30 40 EKEB CC1=Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccc(Cl)c1)C2 100128239 KLFORTXALYJXRJ-AWEZNQCLSA-N 336.822 5.259 30 40 EKEB C/C(=C/C(=N/N=C\c1ccccc1O)c1ccccc1)c1ccccc1 104099072 KGFIXCIEGNPCNP-MEKZSABGSA-N 340.426 5.319 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(C)c2)c1C 408960610 NEWPMJMVIONCBN-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB O=C(c1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F 575357889 APHAZIFXQLSIFR-UHFFFAOYSA-N 343.025 5.009 30 40 EKEB CCCCCCCCCCc1ccc2c(c1)C[C@@H]1c3ccccc3C[C@H]21 1697640 RUOURQNTWBHAPC-CLJLJLNGSA-N 346.558 7.349 30 40 EKEB Oc1c(/C=N/c2ccc(Br)cc2F)ccc2ccccc12 4599208 MEEOLWVLIAVORZ-KEBDBYFISA-N 344.183 5.198 30 40 EKEB Cc1ccc(C(=O)C/C=N/OCc2ccc(Cl)cc2Cl)cc1 5217296 ZBUFQGDQMPOVDN-AWQFTUOYSA-N 336.218 5.077 30 40 EKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=C1CCCCCCC1 5444476 KPYAYOGIFRVQPX-UHFFFAOYSA-N 329.322 5.126 30 40 EKEB C/C(=N\Nc1ccccc1C(=O)O)c1ccc(C2CCCCC2)cc1 12567949 OPTIFAMCYSDLPJ-PXLXIMEGSA-N 336.435 5.269 30 40 EKEB C=C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C 12654972 LXELBISQABCQRG-QESAQDPVSA-N 326.480 5.997 30 40 EKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(C)cc1 59489025 DFDIBSMNUZTOCK-FOWTUZBSSA-N 344.252 5.346 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCC(=O)C(F)(F)F 100296584 UWGWDWAUAHMRHB-MDZDMXLPSA-N 348.493 7.545 30 40 EKEB Fc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1N1CCCC1 409069600 WFPVFTOVLYFAPI-NHDPSOOVSA-N 337.225 5.483 30 40 EKEB C=CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 409118593 ROPQATUIBIEGGO-UHFFFAOYSA-N 331.415 5.656 30 40 EKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 409215728 AMJKRPGVFOJQMX-JLPGSUDCSA-N 345.442 5.723 30 40 EKEB CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl 1719219 JWEDKKSQRXHXJD-UHFFFAOYSA-N 333.255 5.276 30 40 EKEB CCCCCCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 5003355 DLNXDMDKUHYNOL-LFIBNONCSA-N 337.419 5.614 30 40 EKEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1 5409340 YAVWJHZVMNKIOQ-WYMLVPIESA-N 346.382 5.019 30 40 EKEB CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)cc(Cl)c1O 6646956 IPTGDUZGGKGYFH-BQYQJAHWSA-N 342.778 5.087 30 40 EKEB CCOc1cc(C#N)cc(Cl)c1OCc1cccc2ccccc12 11952262 ICSIGCWCWNQTQK-UHFFFAOYSA-N 337.806 5.343 30 40 EKEB CC(C)Cc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1 12370920 NCTTXOGDBHGOMM-GHXNOFRVSA-N 332.365 5.800 30 40 EKEB CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 100003805 OOACYHPBBJELLX-IZAXUBKRSA-N 347.458 5.851 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C)c(C)c1 219818193 IKAXTMDYYWTLBH-MRXNPFEDSA-N 325.477 5.073 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)cc1C 408960881 PEMJVMWYFGGCPD-FYJGNVAPSA-N 328.843 5.008 30 40 EKEB Oc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409098226 KLWGCLDWHSTPOZ-BKUYFWCQSA-N 339.847 5.947 30 40 EKEB CN(C)c1ccc(/C=C2/Sc3c(ccc4ccccc34)C2=O)cc1 378178 GFXXOOMHYYNVMS-CPNJWEJPSA-N 331.440 5.235 30 40 EKEB CN(C)c1ccc(/C=N/c2cccc(C(F)(F)F)c2)c(Cl)c1 2166800 PQZQTLXBAITVTJ-UFFVCSGVSA-N 326.749 5.175 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc(F)cc2)c1 8368191 WCSLWIKOMKUPNS-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CCCCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 97966125 XGOHLQCHAGLKHP-WPFOTENUSA-N 349.518 6.008 30 40 EKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408739669 YVEWQXWOQDPCJL-OEAKJJBVSA-N 345.446 5.112 30 40 EKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1 408755638 RJUVCHCEHGMTQT-WSDLNYQXSA-N 343.257 6.152 30 40 EKEB COc1ccc(C/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1 409011896 OYNYAAADSRFXBN-HMAPJEAMSA-N 338.838 5.067 30 40 EKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)c1 409203171 UWBNWNBNWBTEJM-OEAKJJBVSA-N 345.398 5.023 30 40 EKEB C(=N\c1ccccc1)\c1cccc(OCc2cccc3ccccc23)c1 409214406 XHIPUTIHLDONAQ-UQQQWYQISA-N 337.422 6.169 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 100661709 OIZOBMIMMKEGFC-PFONDFGASA-N 333.818 5.816 30 40 EKEB CCCCCCCCCCNC(=O)NCCCCCCCCCC 101464262 PVJCTMOYESWMEF-UHFFFAOYSA-N 340.596 6.567 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(Cl)c2C)c1 95081 OAHBQZUEWNDNBR-UHFFFAOYSA-N 342.870 5.738 30 40 EKEB Fc1cccc(Cl)c1/C=N/N=C1c2ccccc2-c2ccccc21 1710174 GDDPFPHCLQALSU-FSJBWODESA-N 334.781 5.331 30 40 EKEB in-vitro C(=N/Nc1cccc2ccccc12)\c1c2ccccc2cc2ccccc12 4401800 UYXVLQZKAJYNPX-YZSQISJMSA-N 346.433 6.592 30 40 EKEB Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 5055042 FLNVWIKRXYKORZ-ZBWFQAOJSA-N 339.479 5.170 30 40 EKEB C=CCSc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1 16808410 AYNSAVJNTVACLQ-UHFFFAOYSA-N 332.472 5.321 30 40 EKEB O=C(O)c1cccc(-n2cccc2/C=N\c2ccc3ccccc3c2)c1 409104719 HORJKJCLSZHVNO-HAHDFKILSA-N 340.382 5.079 30 40 EKEB O=C(/C=C\Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 16398870 VJJISQUFTXLNMZ-SREVYHEPSA-N 326.610 5.455 30 40 EKEB CC(C)(C)c1cc(N/C=C/C(=O)C(F)(F)F)cc(C(C)(C)C)c1 102946633 PBJKMTHBYZXMKZ-BQYQJAHWSA-N 327.390 5.339 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1Cl 409010784 LHLCNUPQMGGIKJ-IKMPRTQCSA-N 329.871 6.391 30 40 EKEB Cc1cc(C)c(C(=O)/C=C/c2ccc(Br)cc2)c(C)c1 5125437 MPWTXJOUZYFHNU-RMKNXTFCSA-N 329.237 5.270 30 40 EKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 8084831 JSFNDAKHHLAUHZ-LFVJCYFKSA-N 345.442 5.587 30 40 EKEB CCCCCCCc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 100294485 GDQACGOGALDGOV-UHFFFAOYSA-N 338.447 5.356 30 40 EKEB CCCCCCCCCCCCSc1nc2ccccc2c(=O)[nH]1 100629351 WDXYAAWTHSXLEL-UHFFFAOYSA-N 346.540 5.936 30 40 EKEB in-vitro CCCCCCOc1cc(OCCCCCC)c(C#N)cc1C#N 2179669 QYKUJUGHPIIWRQ-UHFFFAOYSA-N 328.456 5.348 30 40 EKEB CS/C(=N/c1ccccc1)NCc1ccc(Cl)cc1Cl 6850169 OKWZDDPEXPTOLE-UHFFFAOYSA-N 325.264 5.134 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OCC)cc2)cc1 44842959 WQZKPJJCHJTAPT-CCEZHUSRSA-N 339.435 5.073 30 40 EKEB O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 71976933 SADSPTLBEBUPPK-VOTSOKGWSA-N 329.585 5.682 30 40 EKEB O=C(c1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)F 575360248 AFLIBGUOAKBNKP-UHFFFAOYSA-N 343.025 5.009 30 40 EKEB C(=N/Nc1ccc2ccccc2n1)\c1c2ccccc2cc2ccccc12 4608498 WPUVNKVSYJGULS-PCLIKHOPSA-N 347.421 5.987 30 40 EKEB O=C(Nc1ccc(/N=C/c2cccs2)cc1)c1ccccc1Cl 5998251 KISHJZFFUWAKOZ-UDWIEESQSA-N 340.835 5.404 30 40 EKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1O 100223804 VYWUDXGVRCHJHT-PXLXIMEGSA-N 333.387 5.334 30 40 EKEB CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 198078179 KOUNPYYQGPXTRY-QKIXXSFTSA-N 349.478 5.118 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(O)cc3)cc21 198150750 AELSBUKQYCEUQX-WSDLNYQXSA-N 340.854 5.428 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1O 409078427 CSYKQOPPBAVRGR-OYKKKHCWSA-N 347.458 5.316 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(F)c2)cc1OC 409389135 ZLZXMNNKFNGTMP-KIHMUJGBSA-N 335.806 5.416 30 40 EKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(C)C 77323 YVYWYZWBJZDXLJ-ODLFYWEKSA-N 340.444 5.060 30 40 EKEB C/C(=N\Nc1ccc2ccccc2n1)c1ccc(-c2ccccc2)cc1 4550378 ZCILMUNBDSHFOV-KOEQRZSOSA-N 337.426 5.738 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 8371994 NNJJIAIRQXVVIU-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCCCCCCCC(=O)c1ccc(OCCCCCC)cc1O 100925780 SWFPDHAWUXBYOO-UHFFFAOYSA-N 334.500 6.285 30 40 EKEB Oc1ccc2ccccc2c1C=Nc1ccc(Oc2ccccc2)cc1 254510709 HPHAMBOJMRZCFU-UHFFFAOYSA-N 339.394 6.088 30 40 EKEB Clc1ccc(-c2ccc(/C=N\Nc3ccccn3)o2)c(Cl)c1 408729589 HCPFKKGVJRSGSR-JMIUGGIZSA-N 332.190 5.094 30 40 EKEB C(=N/c1nc2c(s1)CCc1ccccc1-2)\c1cccc2ccccc12 559720 ZMZQJZFFTBVULN-OEAKJJBVSA-N 340.451 5.813 30 40 EKEB c1ccc([C@H]2O[C@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 4277134 ZEUYIQIOKFNOJX-NJDAHSKKSA-N 331.440 5.197 30 40 EKEB CCCCCCCCCC(CCCCCCCCC)NC[C@@H](C)O 104108968 OUAIMPXLZWTJOX-OAQYLSRUSA-N 341.624 6.607 30 40 EKEB CCOc1cccc(/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c1 409015062 ADEKWDQDKSHDTO-HMAPJEAMSA-N 338.838 5.588 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)cc2)cc1OC 409380786 IEHCEGDGZIOMON-MUBJSKCLSA-N 347.842 5.285 30 40 EKEB Cc1cc(C)c(N/C(S)=N/C(=O)c2cccc3ccccc23)c(C)c1 5552488 ZNLPYEUJOGJLJV-UHFFFAOYSA-N 348.471 5.303 30 40 EKEB COc1ccc(N/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 51318727 NZWBQKDNOHTTOW-ZHACJKMWSA-N 329.827 5.281 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)c(C)c1 409207881 BWOWWBUFGKWZAL-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB COc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 409219083 MYVPRWBXKPDHQW-UCQKPKSFSA-N 335.378 5.164 30 40 EKEB CCCCCCCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1 3022482 VXDAYFCASDZKQV-UHFFFAOYSA-N 340.467 5.743 30 40 EKEB Clc1ccc(/N=C/c2nnsc2-c2ccccc2)cc1Cl 4265464 NJIZMZFQBZFMJF-GIJQJNRQSA-N 334.231 5.263 30 40 EKEB O=C(/C=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 4695421 AXHDWTFJIYFSBL-KTKRTIGZSA-N 341.716 5.047 30 40 EKEB Oc1ccc2ccccc2c1/C=N/Nc1cccc(C(F)(F)F)c1 4926703 ZHTDLIDQLJFAMZ-SSDVNMTOSA-N 330.309 5.010 30 40 EKEB O=C1/C(=C/c2ccccc2OCc2ccccc2)Cc2ccccc21 6340258 CJFJSNCRFGEGJC-HMMYKYKNSA-N 326.395 5.088 30 40 EKEB Cc1cccc(/N=C2\CCC[C@@H]2C(=O)Nc2cccc(C)c2C)c1C 18024612 BZNXPSDDRGPQLO-MLSMKVKPSA-N 334.463 5.432 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2OC)c1C 144074087 QVNDLVOVVGBJEX-HZHRSRAPSA-N 332.447 5.416 30 40 EKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cc(Cl)cc(Cl)c2)C1 408563082 IGMTYWPHIIPYJQ-XZHRJIJLSA-N 340.294 6.095 30 40 EKEB Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409093226 YGBZWNCUYHGELN-MFKUBSTISA-N 345.486 5.919 30 40 EKEB Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 409111001 BCBXTCFDOWXTNZ-STZFKDTASA-N 348.427 5.805 30 40 EKEB Cc1ccc2[nH]c(S/C=C/C(=O)c3ccc(Cl)cc3)nc2c1 133780 WYYBOASCNFGYNP-CMDGGOBGSA-N 328.824 5.013 30 40 EKEB CCOc1ccc(/C=N/CC2(c3ccccc3)CCCC2)cc1OC 439009 AZXJGJCXJMITFH-XQNSMLJCSA-N 337.463 5.025 30 40 EKEB C=C1C[C@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@@H]12 5791605 DDIANFAJRRTYHK-HKUYNNGSSA-N 325.452 5.706 30 40 EKEB N#CCC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 35049787 PCVWPSXCQLIVKK-UHFFFAOYSA-N 337.344 5.352 30 40 EKEB COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(S)c2C#N)cc1 39440141 QDIZCRFWFPAECW-UHFFFAOYSA-N 346.455 5.201 30 40 EKEB CCCCCCCCCCC(CCCCCCCCCC)C(=O)O 100141398 QSRHBXMVAHNFKV-UHFFFAOYSA-N 340.592 7.749 30 40 EKEB in-vitro CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(C(C)C)cc3)cc21 198150330 HXQHKCMUCOIILM-MFKUBSTISA-N 346.518 6.501 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)=O)cc3)c2C)cc1 408760274 VVILCFIMGPZEMR-BUVRLJJBSA-N 344.458 5.610 30 40 EKEB Cc1ccc2oc(-c3cccc(/N=C/c4cccc(C)c4O)c3)nc2c1 318234 DFEVRLHYSDNHDJ-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB CC(C)[C@@H]1CC[C@H](C)/C(=C\C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 100365527 CDLMGTMYJCSWTE-YLORNRQASA-N 330.512 5.382 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2F)c1C 408856746 KXWLWMFNVWTVSL-OYKKKHCWSA-N 334.438 5.855 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl 409215228 VSWCZSYPIPIOIC-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCCCCCCCCCCC(=O)c1cccc(Br)c1 575243077 WPUYJYAPBIZRCO-UHFFFAOYSA-N 339.317 6.553 30 40 EKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(OC(F)F)cc1 6047869 UEKZHTUNRZLKET-RMKNXTFCSA-N 343.156 5.491 30 40 EKEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1 8371818 GOYZTUUPPNGYJE-XDHOZWIPSA-N 330.225 5.073 30 40 EKEB C=CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 20241941 XFWYLKIUTYIXRZ-CYBMUJFWSA-N 347.867 5.024 30 40 EKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1ccccc1 408775795 SBUQRLDAFSDMKT-HZHRSRAPSA-N 340.430 5.088 30 40 EKEB Cc1ccc([C@@]2(CC/N=C/c3ccccc3)CCOC(C)(C)C2)cc1 2477464 ZETDSKUJZSVAAR-HHEUTOACSA-N 335.491 5.331 30 40 EKEB O=[N+]([O-])c1ccccc1N/N=C(\N=N\c1ccccc1)c1ccccc1 5005014 UDFARLIUDIKECU-UATKBZSTSA-N 345.362 5.152 30 40 EKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 6962586 KURAYXPGHYOCNT-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O 13758494 ZSIAJKYULFIPTJ-UNOMPAQXSA-N 348.423 5.252 30 40 EKEB CCCCCCCCCn1cc[n+](CCCCCCCCC)c1C 101663420 OLRPCTMWVJZOTB-UHFFFAOYSA-N 335.600 6.585 30 40 EKEB C=CC(=O)OC[C@H](C)CCCCCCCCCCCCCCCC 111900186 KZMXOWBRTHYSGW-OAQYLSRUSA-N 338.576 7.223 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(C)cc3)cc21 198152363 GPJJZLRXMHGYKG-YDZHTSKRSA-N 338.882 6.031 30 40 EKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccccc1 225886867 FPSYUVLGNWUDBW-UHFFFAOYSA-N 345.446 5.214 30 40 EKEB C#CCOc1c(CC=C)cc(CNc2ccc(C)c(C)c2)cc1OCC 409121373 WMESJVSIXJHRMG-UHFFFAOYSA-N 349.474 5.055 30 40 EKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccccn1 409245653 XBULBJOUQIQDAT-BUVRLJJBSA-N 325.415 5.393 30 40 EKEB COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 223496434 WVQUNMBHBVITJS-UCQKPKSFSA-N 334.463 5.386 30 40 EKEB Cc1cc(O)c(/C=N/c2ccc3c4c(cccc24)CC3)c(C)c1Cl 59962 GAJDQKOEENCZOQ-FOKLQQMPSA-N 335.834 5.665 30 40 EKEB CC(C)(C)c1ccc(SCC#CCOc2ccc(Cl)cc2)cc1 1564773 XHFLXRJTLZFSRN-UHFFFAOYSA-N 344.907 5.812 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 8368190 IBWQXTJJDGQTKG-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1cccs1 46085366 CWACETCSOYZVCQ-OEAKJJBVSA-N 344.443 5.194 30 40 EKEB CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103525859 USNIVSXISHIFBJ-UHFFFAOYSA-N 338.351 7.130 30 40 EKEB Clc1ccc(O/C(=N/c2ccccc2Cl)c2ccccc2)cc1 104072944 SLMICLMPRCKNDC-ZBJSNUHESA-N 342.225 6.151 30 40 EKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCC 409116197 MXOKYZFYPBWSCP-UHFFFAOYSA-N 345.870 5.396 30 40 EKEB C(=N/N=C1c2ccccc2-c2ccccc21)\c1cccc2ccccc12 1710169 YNEZTEXFPYQEBK-PCLIKHOPSA-N 332.406 5.692 30 40 EKEB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)Cc2ccccc21 6228476 SUHAWQXYCZKEGP-XSFVSMFZSA-N 326.395 5.088 30 40 EKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc(Cl)c1C 6626248 RJXXMNQCKBFLMR-WSDLNYQXSA-N 330.834 5.447 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1ccccc1C 6941671 DKRKAFQPRKPAIT-XDHOZWIPSA-N 332.241 5.297 30 40 EKEB O/N=C(\c1ccccc1)[C@@H](c1ccccc1)C(Cl)(Cl)Cl 16955369 PUGNACWPMRGYOZ-DVDIPCOMSA-N 328.626 5.019 30 40 EKEB COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1OC(C)C 409009573 GHRORGOBYGQYPZ-HMAPJEAMSA-N 325.452 5.531 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 409015534 BUCQSOCWBVBFAU-DTVDJLOLSA-N 328.415 6.082 30 40 EKEB COc1cccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)c1 409061892 JQZNULFWWPZKIE-CCEZHUSRSA-N 345.398 5.296 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2C)cc1OC 409382174 YTRTZKBMFWDGGC-QZDMBBGESA-N 345.870 5.893 30 40 EKEB CCc1cccc2c(C#N)cn(CCOc3ccc(Cl)c(C)c3)c12 6945288 UTSPZDDVYYKPMM-UHFFFAOYSA-N 338.838 5.116 30 40 EKEB CCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530280 WMAVUBFAZVFVCS-SNAWJCMRSA-N 338.160 5.446 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2F)cc1OC 409378498 QEHPQEPXPYGPOE-UORWWSPDSA-N 335.806 5.416 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 5214065 VRNAMTYSSIYURH-ZRDIBKRKSA-N 333.343 5.059 30 40 EKEB CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 6964102 UQHJOPGXUQKLFZ-XQNSMLJCSA-N 347.414 5.637 30 40 EKEB C(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1c[nH]c2ccccc12 13608197 RQYPLOHQQIADRR-ZVHZXABRSA-N 336.398 5.462 30 40 EKEB CCCCCCCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 97941861 BPTXDPVADIVXBG-INIZCTEOSA-N 339.907 5.283 30 40 EKEB O=C1/C(=C\Nc2ccc(F)cc2)[C@H](c2ccccc2)c2cccc(F)c21 100417097 JYUPBYGTDSQHTH-MTGKDYNDSA-N 347.364 5.289 30 40 EKEB Cc1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1Br 408960066 IXVRBVIADUUQKK-DEDYPNTBSA-N 343.268 5.108 30 40 EKEB O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(F)cc1 174007 RRHDGNNPWDFOLV-CMDGGOBGSA-N 327.207 5.621 30 40 EKEB N#Cc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 4966538 ATWSDYGCJVLFRC-UHFFFAOYSA-N 347.374 5.161 30 40 EKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1c(C)cc(C)cc1C 16804909 HROOVTWJIXXTMC-FCQUAONHSA-N 348.515 5.869 30 40 EKEB C=CCc1ccc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 76555534 RTMBTZQFFCTPTE-HNNXBMFYSA-N 336.435 5.057 30 40 EKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(F)cc1 100192149 JHEFVTMTLFWQQR-AFUMVMLFSA-N 343.405 5.532 30 40 EKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH]cn1 118931889 HCHICBFLKPOSSV-BLQWBTBKSA-N 338.495 5.025 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3)c2C)cc1 408767059 VGDOVFYMFRNAFG-HMAPJEAMSA-N 347.418 5.315 30 40 EKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 409214257 RUNZMLGNTUJYPN-IWIPYMOSSA-N 349.405 5.554 30 40 EKEB O=C(C[n+]1cccc2ccccc21)c1ccc2ccc3ccccc3c2c1 1668173 WPJZXOSGGBHEJK-UHFFFAOYSA-N 348.425 5.317 30 40 EKEB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)COc2ccccc21 3266758 NLPYJQRGPAMLRX-LGMDPLHJSA-N 328.367 5.138 30 40 EKEB CC(=O)c1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 100068498 FSOUNGUVRXZSSD-FOCLMDBBSA-N 341.410 5.365 30 40 EKEB CC(C)N1c2ccc(/C=N/Nc3ccccc3)cc2[C@H](C)CC1(C)C 260569446 QGZODIDLMMKJMS-HAFIMRKLSA-N 335.495 5.633 30 40 EKEB CCCCCCCCOc1ccc(NC(=O)c2ccc(C)o2)cc1 3127088 DGSBIYZEEFGVCG-UHFFFAOYSA-N 329.440 5.580 30 40 EKEB Cc1ccc(N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1Cl 5614486 AUWLOSWLNYHRNH-HZHRSRAPSA-N 349.865 5.862 30 40 EKEB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N/O 43735870 SUIVXLJKUVOXKD-NWKQIJIYSA-N 345.571 7.142 30 40 EKEB CCCCCCCCCCCCCC(=O)OC[C@@H](CC)CCCC 100128617 GRXOKLJPWSYWIA-NRFANRHFSA-N 340.592 7.447 30 40 EKEB O=C(/C=C/Nc1ccc(F)cc1F)c1cc(Cl)sc1Cl 100411652 RZOLIBZJWYVNDV-ONEGZZNKSA-N 334.174 5.142 30 40 EKEB N#Cc1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225498737 DYOBSWFMSWXHKM-UHFFFAOYSA-N 335.794 5.330 30 40 EKEB COc1cccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408934752 MJTICSBAADXAKI-YDZHTSKRSA-N 344.336 5.255 30 40 EKEB Cc1ccc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)cc1Cl 408955525 OUXWWADUXRQKEG-LSHDLFTRSA-N 338.794 5.741 30 40 EKEB Cc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 409210777 LCUKIHHPBBOQDS-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Fc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1 5777556 YYPHGCYWNCREFF-RGVLZGJSSA-N 337.379 5.141 30 40 EKEB CC(/C=C1\S/C(=N/c2ccc(O)cc2)N=C1O)=C\c1ccccc1 6261730 XQKVPVVOIZKNPR-YMGXUNRSSA-N 336.416 5.070 30 40 EKEB O=[N+]([O-])c1cccc(CSC#CC23CC4CC(CC(C4)C2)C3)c1 20437033 CPEIWWGHPOSMCA-UHFFFAOYSA-N 327.449 5.005 30 40 EKEB O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c1sccc1Cl 100408065 SBEBWLLBZFFKBY-GQCTYLIASA-N 331.746 5.229 30 40 EKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408756487 VPHLLAJFDSQCIN-OEAKJJBVSA-N 330.431 5.356 30 40 EKEB CCCCCCCCCCCCCCCC[N+](C)(C)c1ccccc1 59256835 NEKODZWFVCEQME-UHFFFAOYSA-N 346.623 7.735 30 40 EKEB O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccc(Cl)s1 60370821 IEKTVUJZEJLILI-RMKNXTFCSA-N 331.849 5.421 30 40 EKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccccc2C(C)C)o1 408963238 YFMJVQHNHOPCGB-YDZHTSKRSA-N 347.414 5.827 30 40 EKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(C)cc1 409210993 LJHQMZGWWSCELC-BUVRLJJBSA-N 345.442 5.642 30 40 EKEB CC(=O)Nc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 524586 PHJCTFKURIMYMG-BUVRLJJBSA-N 338.410 5.702 30 40 EKEB CCCCCCCCCCCC(=O)c1c(O)c2ccccc2oc1=O 1588879 OTTOCAVLPLGCBR-UHFFFAOYSA-N 344.451 5.602 30 40 EKEB Cc1ccc(-c2ccc(Oc3cc(C#N)c4ccccc4n3)cc2)cc1 1840168 XATXOXHAHPURNM-UHFFFAOYSA-N 336.394 5.874 30 40 EKEB S[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 3893920 NHPGGMMMZYRZIW-QKNQBKEWSA-N 338.541 6.374 30 40 EKEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(Oc2ccccc2)cc1 6250475 UUUDRVZQOIBAER-UHFFFAOYSA-N 331.331 5.002 30 40 EKEB CCCCCCCCCCCC[S@](=O)C[C@H](O)c1ccccc1 33355511 JGFMVVKNYQLJOQ-NZQKXSOJSA-N 338.557 5.390 30 40 EKEB CCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCC1 58592638 MSYHTCRNDOWWKR-KTKRTIGZSA-N 349.603 7.036 30 40 EKEB C=CCOC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 73633995 TUKGLBHASQVAMN-UHFFFAOYSA-N 348.185 5.144 30 40 EKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cccn2-c2ccccc2)cc1 408848543 ZQDBBRYMCSDFIE-ULJHMMPZSA-N 339.442 5.635 30 40 EKEB Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)o1 409380731 CEUNZHXQLRJKHZ-SRZZPIQSSA-N 332.315 5.323 30 40 EKEB Cc1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C 2767024 RZMJYVYOBNDGBU-DHZHZOJOSA-N 338.476 5.186 30 40 EKEB C[C@H](Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N)c1ccccc1 4450407 QEMJXDIHKMVPQV-NSHDSACASA-N 348.393 5.703 30 40 EKEB C=CC[C@]1(c2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 4665038 LBIZGRTVIHMCLN-HSZRJFAPSA-N 325.411 5.227 30 40 EKEB Cc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 34791590 ZTIWLFUREQEIHR-UHFFFAOYSA-N 346.455 5.007 30 40 EKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1 100116689 CKIWYZSLXMAOLG-WSDLNYQXSA-N 343.257 6.152 30 40 EKEB CCCCCCCSCCSc1ccc(C#N)cc1[N+](=O)[O-] 100977429 SGMJZRSOQYSKTB-UHFFFAOYSA-N 338.498 5.262 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 8368150 GPFSXAROMBERTL-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCOc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(Cl)c2)cc1 51318849 DJFLCQYKDKQPFF-MDZDMXLPSA-N 336.218 5.201 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408776537 PBFRUJQIAYRLNB-FYHAJLKWSA-N 348.465 6.497 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C)cc1 2677127 RLJXUGDKLALCET-VZCXRCSSSA-N 340.879 5.597 30 40 EKEB COc1ccc(/C=N/Nc2cccc(C)c2)cc1OCc1ccccc1 4923858 IYWQGNDFUNAFOE-HZHRSRAPSA-N 346.430 5.029 30 40 EKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CCC(C)=O 12655672 RUJSTMILPJJENL-RLLKEQMBSA-N 330.556 6.881 30 40 EKEB biogenic Cc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 198083885 OTFSPPJYQJOANP-LJGKHRNASA-N 340.898 6.121 30 40 EKEB COc1ccccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408762363 OGWQMTLCBILVEO-LPYMAVHISA-N 338.838 5.507 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Cl 409010376 CJRCGSCRRNXKCJ-ZDFPAGSVSA-N 332.787 5.176 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 409238500 DSIVTCWGLSFHAS-LGVXEURYSA-N 346.430 5.440 30 40 EKEB CC(C)(C)c1ccc(C(=O)O/N=C/c2ccccc2C(F)(F)F)cc1 2099944 UOGNCCKCEIOHAS-FSJBWODESA-N 349.352 5.194 30 40 EKEB Cc1cccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1O 4150507 MRQJAABNMUWMCL-CNHKJKLMSA-N 329.614 5.107 30 40 EKEB N#C[C@@H](c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 4685289 SRQRABGFISPHTD-PKTZIBPZSA-N 337.426 5.103 30 40 EKEB CCc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc1 4921801 CGBZLDKCSMUTHL-UFFVCSGVSA-N 326.749 5.367 30 40 EKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F 7986965 IHPADXIFYGHAQJ-ZVBGSRNCSA-N 330.712 5.334 30 40 EKEB Clc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20242194 VWQSFPLJLPVJJU-MFKUBSTISA-N 349.905 6.558 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1ccc(OC(C)C)cc1 219807791 SRULTTLIWNVACI-UHFFFAOYSA-N 327.449 5.004 30 40 EKEB Oc1cc(Cl)ccc1/N=C\c1cccn1-c1ccc(Cl)cc1 408851748 FTNWNLBZRFVKJI-JAIQZWGSSA-N 331.202 5.240 30 40 EKEB Cc1cccc(C)c1N/N=C1\Sc2c(ccc3ccccc23)C1=O 4499536 SQHMSCLGCJIFTA-XDOYNYLZSA-N 332.428 5.171 30 40 EKEB O/N=C1\CCCCCC[C@H]1n1c(-c2ccccc2)nc2ccccc21 5387640 SCUNUHXLWNMLNS-SXKRPYPPSA-N 333.435 5.429 30 40 EKEB O=C(/C(=N/N=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 12339000 KWQRBQAHDAEYIK-AHUQVGLRSA-N 346.817 5.046 30 40 EKEB Cc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccc(C)cc2)cc1 32609556 XTQPFCZZNPKLRL-INJUALFYSA-N 340.422 5.703 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1 252677429 YRVXLZXCGBCIDL-UHFFFAOYSA-N 326.852 5.288 30 40 EKEB Cc1ccc(/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c(C)c1 408855953 IDNMNHGAFWHZCN-UUYOSTAYSA-N 333.387 5.321 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1Cl 409208706 CIMJERRQKOCCSV-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCOc1ccc2nc(S/C=C/C(=O)c3ccccc3)sc2c1 161328 OXWUIFLMOKJWIL-ZHACJKMWSA-N 341.457 5.184 30 40 EKEB C/C(=N\OC(=O)c1cccs1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 1405833 PLDJQHRXNHLZTA-WLNXHHGHSA-N 327.449 5.208 30 40 EKEB N#CCCN(Cn1c2ccccc2c2ccccc21)c1ccccc1 3094475 QRSBDSSAJYURAD-UHFFFAOYSA-N 325.415 5.172 30 40 EKEB CC(/C=C1\S/C(=N/c2ccc(C)c(C)c2)NC1=O)=C\c1ccccc1 5024775 GBYGLZPVJFPIGF-JKLBGJETSA-N 348.471 5.141 30 40 EKEB N#Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 6584007 PGRMDJCVTJNRQM-UHFFFAOYSA-N 340.597 5.162 30 40 EKEB N#CCCn1c(SCc2c(F)cccc2Cl)nc2ccccc21 12551465 SKVNFMMQBPJCDG-UHFFFAOYSA-N 345.830 5.035 30 40 EKEB CC(=O)c1ccc(Cl)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 96425649 RZCHRSXEBHTAPB-FBCYGCLPSA-N 342.609 5.306 30 40 EKEB CCCCc1ccc(N/C=C2\C[C@H](C(C)(C)CC)CCC2=O)cc1 408563057 ICWJTYYSBBXWTB-WNZNBFKUSA-N 327.512 6.130 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2Cl)c1C 408966669 MXLKHCFIVYBHBS-UCQKPKSFSA-N 336.866 6.061 30 40 EKEB Cc1ccc(N/N=C\c2c(C)nn(-c3ccc(C)cc3C)c2C)c(C)c1 408999802 SKGSCTMYCLZOML-QRVIBDJDSA-N 346.478 5.169 30 40 EKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccn1 409232345 OAITZOGMXFEMCZ-IWIPYMOSSA-N 331.463 5.537 30 40 EKEB O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2ccc3ccccc3c2)c1 3181208 FBTPUACSCVXCSB-SRZZPIQSSA-N 342.301 5.100 30 40 EKEB Cc1ccc(-n2c(C)cc(C=C3C(=O)CC(C)(C)CC3=O)c2C)c(C)c1 3193090 HHQCBGNCDFPQFL-UHFFFAOYSA-N 349.474 5.053 30 40 EKEB Clc1cc(Cl)c(N/N=C/c2cccc3ccccc23)c(Cl)c1 5604978 NUGXHISMOPQNKH-UFFVCSGVSA-N 349.648 6.246 30 40 EKEB CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1 6340185 ZXUPSGCPAMRBAQ-BUHFOSPRSA-N 332.399 5.143 30 40 EKEB CCCCCCCCCSc1nc2c3ccccc3ncn2n1 103005652 KFVJWORNXHNBSS-UHFFFAOYSA-N 328.485 5.120 30 40 EKEB CCCCCCCCCC(=O)Nc1cc(OC)c(Cl)cc1OC 2187704 BBEACAPCDAZCON-UHFFFAOYSA-N 341.879 5.436 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C#N)C1 2738679 MMVCUROMLVDAHJ-AWEZNQCLSA-N 344.524 5.290 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)c(C)c1 8368754 UTMQWHMSKYLLMO-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)Sc2ccccc21 16524274 PBPIOZDDRIKALI-WOJGMQOQSA-N 349.367 5.184 30 40 EKEB CCCCCCCCCCCCCCCCCc1nc(C#N)c(N)o1 73259029 HZBKCIYIRLMFPT-UHFFFAOYSA-N 347.547 6.542 30 40 EKEB Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)cc2)cc1 409211457 NSPWIJVSYLADLN-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CCCCCCCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1 2088007 MNLPIRKYWZRRGI-UHFFFAOYSA-N 340.463 5.666 30 40 EKEB CCN(CC)c1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1 2131480 GIGXGRPUVWFEGL-LPYMAVHISA-N 336.357 5.182 30 40 EKEB CCCCCCCCCCCc1nc2c(ccc3nsnc32)[nH]1 97949771 YTRPZFNRKUNOFM-UHFFFAOYSA-N 330.501 5.641 30 40 EKEB CSc1nsc(/C=C/Nc2ccccc2-c2ccccc2)c1C#N 100381580 BUVMQDNPOJMONK-VAWYXSNFSA-N 349.484 5.486 30 40 EKEB Cc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2O)cc1Cl 409011162 MNQKJNGRXAEROR-NHDPSOOVSA-N 345.229 5.549 30 40 EKEB CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3C)cc2)c1C 409074151 SFRNLHFKGOJQAS-HZHRSRAPSA-N 332.447 5.976 30 40 EKEB CC(C)[C@@]1(C)CC[C@@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O 100080465 GGHFMFVEFSJANJ-YMHQIUNTSA-N 325.279 6.038 30 40 EKEB CCCCCCCCCCCc1nc2ccccc2n1CCCC 100850424 DICGSBUPWPTIRI-UHFFFAOYSA-N 328.544 6.910 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(Cl)c(F)c1 101471162 SSANVAHWLRIZEU-UHFFFAOYSA-N 340.910 7.363 30 40 EKEB COc1cc(C)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 408549697 XEVKGCMHYMLKLW-HZHRSRAPSA-N 347.414 5.555 30 40 EKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1C1CCCCC1 408739933 GVIIMOQVTCJDEY-LFVJCYFKSA-N 336.523 6.658 30 40 EKEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409053347 CARFAAJGCPZUMG-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 4159712 NQSFZXLHJVRJGK-PKNBQFBNSA-N 343.209 6.150 30 40 EKEB CCCCN(N=C(c1ccccc1)c1ccccc1)c1ccccc1 4900877 HHZNUFJMIBWBAB-UHFFFAOYSA-N 328.459 5.746 30 40 EKEB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 5722797 OBOJHUWHVNHVFZ-HMMYKYKNSA-N 329.355 5.018 30 40 EKEB CCCCCCCCCCCCOc1ccc(-c2nnco2)c(O)c1 100959474 SGKFIPXLLMOBLF-UHFFFAOYSA-N 346.471 5.742 30 40 EKEB CCCCCCCc1nc(C#N)c(N/N=C/c2cccc(Cl)c2)o1 101411337 AUSYVWASIYCMFK-FYJGNVAPSA-N 344.846 5.159 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4O)cc3)oc2c1 58631 NDOWSGYBSKWNCG-LPYMAVHISA-N 328.371 5.259 30 40 EKEB Cc1[nH]c2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 64459 PYOJOSHAWAOHQD-HZHRSRAPSA-N 326.399 6.019 30 40 EKEB O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(ccc3ccccc13)N2 204267 KHSPGRPNJIGVDT-OAQYLSRUSA-N 341.410 5.110 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3cc([N+](=O)[O-])ccc3C)c2C)cc1 103750510 FHNSRGPLZPWDFO-LPYMAVHISA-N 347.418 5.370 30 40 EKEB Oc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 409022925 WNKCZTKWSYHSQO-JAIQZWGSSA-N 331.202 5.240 30 40 EKEB N#C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 1633809 NSTPNFTWKQYQIY-CQSZACIVSA-N 344.258 5.401 30 40 EKEB C=C1C[C@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@H]12 5482553 LIEDCQPGOXPJSJ-MJGOQNOKSA-N 344.882 5.968 30 40 EKEB CCCCCOc1ccccc1/C=N/Nc1nc2ccccc2s1 59386983 RTKXZEMMMGIBRL-XSFVSMFZSA-N 339.464 5.311 30 40 EKEB CCCCCc1ccc(-c2ccc(C#N)cc2-c2ccccc2)cc1 95496368 PBMCTXQDYLSLTP-UHFFFAOYSA-N 325.455 6.625 30 40 EKEB CCCCCCCCNCc1cc(Cl)c(OC)c(OCC)c1 102561770 DJFJXBSXUZENNI-UHFFFAOYSA-N 327.896 5.197 30 40 EKEB CCCCCc1cccc[n+]1CC(=O)c1ccc(-c2ccccc2)cc1 408718594 GOECRYPCVRZDSK-UHFFFAOYSA-N 344.478 5.257 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1Cl 409121771 WIZBWNYFZMZESP-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB C[C@H](CN1CCCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 1577628 REBDEAWQRSMFKW-OAQYLSRUSA-N 346.518 5.398 30 40 EKEB CN(C)c1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1 5333909 PGXVQLMSRMMTSF-LXFXVVTESA-N 341.458 5.282 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC 6880707 HIOXBRXTSYFNPU-CIAFOILYSA-N 331.843 5.505 30 40 EKEB CC/C(=C\C(=O)c1ccc(OC)cc1)Nc1cc(Cl)ccc1C 59489065 RMCAVISSQXTCOE-FOWTUZBSSA-N 329.827 5.246 30 40 EKEB C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(C)=O)[C@@H]2CC[C@@H]1C3 71318959 FNLMCLYZRZJKQZ-KQFPAPQFSA-N 330.512 5.519 30 40 EKEB biogenic,in-vitro CCCCCCC/C(=N\O)c1ccc(OCc2ccccc2)cc1O 100930231 JFGLZRGAUDHWIW-LSDHQDQOSA-N 341.451 5.510 30 40 EKEB CC(C)N1c2ccc(/C=N\c3ccccc3O)cc2[C@H](C)CC1(C)C 260562668 BCTJOVKHBKRMDC-GMPVXANTSA-N 336.479 5.643 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 409208741 DABHUHQYNRQKJJ-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB Brc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 504434145 DCYQPFHCJAVKGY-UHFFFAOYSA-N 337.220 5.013 30 40 EKEB C=CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 8041377 SNKNMJGKLXQFMR-UHFFFAOYSA-N 345.398 5.296 30 40 EKEB O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1ccccc1-2 17284599 GKAFZNCHCNMDBB-XUTLUUPISA-N 334.762 5.398 30 40 EKEB CCCCCCCc1ccc(-c2ccc(Br)cc2)nc1 97998421 DRIWDNDRRNGMGF-UHFFFAOYSA-N 332.285 6.024 30 40 EKEB CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CC 100307113 OMARWWFUVFAGSK-OAQYLSRUSA-N 340.592 7.590 30 40 EKEB CCCCCCCCCCCCCCCCCCNC(=O)N1CC1 104134318 MEMUMYCLWQPAEX-UHFFFAOYSA-N 338.580 6.273 30 40 EKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225933009 DHXYWNFQWSYMGR-UHFFFAOYSA-N 349.474 5.400 30 40 EKEB N#Cc1cn(C(=O)c2sc3ccccc3c2Cl)c2ccccc12 226361737 LWHFEXMULIZFAO-UHFFFAOYSA-N 336.803 5.070 30 40 EKEB Oc1ccc2oc3c(c2c1/C=N/c1cccc2ccccc12)CCCC3 506460 OLNFCTSMACTZMP-ZVHZXABRSA-N 341.410 5.921 30 40 EKEB O=C(/C=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1O 5767136 GAEMJKLKHLMWKN-PFONDFGASA-N 339.394 5.437 30 40 EKEB ClC(=C\c1ccccc1)/C=N/N=C/C(Cl)=C\c1ccccc1 33378885 SHRQTSDSSHHVMU-GTMMHDNSSA-N 329.230 5.603 30 40 EKEB CCCCCCCCOCCNCCOCCCCCCCC 103011515 XUEFXTQYOAZXOP-UHFFFAOYSA-N 329.569 5.330 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/Nc3ccccc3)cc21 223500807 DICVMEAISKDGKH-BUVRLJJBSA-N 347.506 5.851 30 40 EKEB CCCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 408692263 IRZSBYGGQMTJLC-BUHFOSPRSA-N 330.427 5.833 30 40 EKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1C1CCCCC1 408740527 LIASXKVKCUYEFV-LFVJCYFKSA-N 330.475 6.514 30 40 EKEB CCc1cccc2c(C#N)cn(CCCOc3cc(C)ccc3C)c12 409206267 SIUFTZRTUIPKHF-UHFFFAOYSA-N 332.447 5.161 30 40 EKEB Clc1cc(Cl)cc(/C=N/N=C/c2cc(Cl)cc(Cl)c2)c1 8306386 SGTASRZEJCNRDB-OKXCLTPOSA-N 346.044 5.753 30 40 EKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 17124065 IWXGPHFRFJTQNH-NVNXTCNLSA-N 332.374 5.301 30 40 EKEB C[C@H](Nc1oc(/C=C/c2ccc(F)cc2)nc1C#N)c1ccccc1 20446672 GOMDHXKJBIKNNT-TZIYXEQSSA-N 333.366 5.029 30 40 EKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 100662102 PVEUNPJUYVWEFX-KTKRTIGZSA-N 325.717 5.167 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2O)c1C 408959534 APICASRIBQLHBO-UCQKPKSFSA-N 332.447 5.421 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC 6880711 RBBKOMUTYNDEIX-CIAFOILYSA-N 331.843 5.505 30 40 EKEB O=C(/C(=C/c1ccccc1F)c1nc2ccccc2o1)c1ccccc1 12756043 ALWZVJISZDZCIT-VKAVYKQESA-N 343.357 5.390 30 40 EKEB CCCCCCCCCCCC(=O)Nc1cc(Cl)ccc1O 2147698 GQRPODLWAGLXQK-UHFFFAOYSA-N 325.880 5.905 30 40 EKEB C/C(=N\OC(=O)c1ccccc1C)c1ccc2c(c1)Cc1ccccc1-2 36644268 HRYGUUMDPYFCSH-LFVJCYFKSA-N 341.410 5.147 30 40 EKEB C/C(=C\C(=O)c1cccnc1)Nc1ccc(N=Nc2ccccc2)cc1 260840554 CARYZHDZTGBTBD-PEJXKHDASA-N 342.402 5.696 30 40 EKEB Cc1ccccc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408590320 OYMLXCIUIHBMNV-FSJBWODESA-N 331.419 5.235 30 40 EKEB C=CCn1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c2ccccc21 408936293 PBNKOUZRCMNHNH-FMCGGJTJSA-N 343.352 5.292 30 40 EKEB Cc1cccc(/N=C/c2ccccc2OCc2cccc(F)c2)c1C 409212268 PGTJDYZGTKARSV-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 409212592 REUZRYJYLBXMME-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB N#Cc1c(SCc2ccccc2)nc2c(c1[C@H]1CC=CCC1)CCC2 32619 DNYHNLNNZHCLDN-KRWDZBQOSA-N 346.499 5.558 30 40 EKEB C[C@@H]1CCc2c(sc(/N=C/c3c(O)ccc4ccccc34)c2C#N)C1 411695 IAAYVNIHBPAWPZ-GHONEHJGSA-N 346.455 5.354 30 40 EKEB C=CCOc1ccc(/C(CC)=C(\CC)c2ccc(OCC=C)cc2)cc1 1620706 ZYOWCEUIZONTOK-WCWDXBQESA-N 348.486 6.547 30 40 EKEB Cc1ccc([C@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 2250201 FLNVWIKRXYKORZ-UOFXASEASA-N 339.479 5.170 30 40 EKEB COc1ccc(O)c(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 4530074 PWIQVDVXSMHYPT-XDJDQNRRSA-N 331.375 5.567 30 40 EKEB C/C(=N\Nc1ccc(Cl)cc1)c1ccc(Br)s1 4925094 QMWFQYVLWCQHDV-OVCLIPMQSA-N 329.650 5.000 30 40 EKEB CC(=O)Nc1ccc(/C=C/C(=O)c2sc3ccccc3c2C)cc1 16937879 IFUBCOMUGCHPAY-FMIVXFBMSA-N 335.428 5.064 30 40 EKEB CCCCCCCCCCCCCC(=O)NCC(OCC)OCC 73257538 ODPWRMSNGMQQAL-UHFFFAOYSA-N 343.552 5.203 30 40 EKEB C=CCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 326975251 ICKMRZPETAEXEH-UHFFFAOYSA-N 331.415 5.656 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2ccc(C)c(C)c2)cc1 409211755 ODBZTRRPVKBXAH-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB C/C(=N\OCc1ccccc1F)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 1405830 FDRSCKXBTVRVSF-HWZSRVGFSA-N 325.427 5.645 30 40 EKEB CN(C)c1ccc(/C=C2\Sc3ccc4ccccc4c3C2=O)cc1 13602059 UCYPLEUCHTVCNV-UYRXBGFRSA-N 331.440 5.235 30 40 EKEB Cc1ccc(N/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1Cl 16312816 AJTRJQWDUPUUST-SREVYHEPSA-N 340.637 5.764 30 40 EKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 16957582 HDRUDSYPDBRZHT-QHHAFSJGSA-N 346.040 6.196 30 40 EKEB CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O 100311139 WGQVJOPQTOUKDI-UHFFFAOYSA-N 334.456 5.463 30 40 EKEB in-vitro Fc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1N1CCCC1 409087000 IGXLZULRRBNLRW-NHDPSOOVSA-N 337.225 5.483 30 40 EKEB Oc1ccc(Cl)cc1/C=N/Nc1c2ccccc2nc2ccccc12 13284056 NCKMTMWOCZXEPQ-WSDLNYQXSA-N 347.805 5.193 30 40 EKEB C=CCc1cc(/C=N/c2cccc3ccccc23)cc(OCC)c1O 59249001 AIWVIHZLLVFQQI-HZHRSRAPSA-N 331.415 5.423 30 40 EKEB O=C(/C=C/c1ccccc1F)c1cccc(N2Cc3ccccc3C2)c1 59503635 JYBATEIKFQGYEI-OUKQBFOZSA-N 343.401 5.242 30 40 EKEB FC(F)(F)C(F)(F)CCCCCCCC(F)(F)C(F)(F)F 169795132 ZNUOSOMQVNLGKX-UHFFFAOYSA-N 336.213 6.112 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408968360 VYNQLZYAMFODSZ-PCLIKHOPSA-N 344.502 6.451 30 40 EKEB C#C[C@]1(O)CCC(c2ccccc2)(c2ccccc2)CC12CCCC2 3844256 OMUXGHBMBICLHL-DEOSSOPVSA-N 330.471 5.081 30 40 EKEB biogenic CCCCOc1ccc(C(=O)/C=C/Nc2ccc(F)c(Cl)c2)cc1 44843169 ILTBVGOYQNOPLY-ZHACJKMWSA-N 347.817 5.467 30 40 EKEB C=CCOc1ccc(NC(=O)C2(C)CCCCC2)cc1C(F)(F)F 225954953 FJNHTYYVBJSALB-UHFFFAOYSA-N 341.373 5.179 30 40 EKEB N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl 1397583 KKEHTMAYPZWVAM-NSHDSACASA-N 338.621 5.527 30 40 EKEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 3096862 WGKBTAGYRUXJFC-UHFFFAOYSA-N 338.451 5.238 30 40 EKEB biogenic C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1C 8368570 JXBGKRFWSJKBGG-UDWIEESQSA-N 344.252 5.381 30 40 EKEB Cc1cccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)c1 55120940 WZBUPTKZVCDNBG-OUKQBFOZSA-N 343.470 5.187 30 40 EKEB Cc1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 100116656 RSBNFAKRMNOFHC-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB CCCCCCCCCCCC(=O)Nc1nc2ccc(C)cc2s1 100493392 NPAZGHYSUXOGCK-UHFFFAOYSA-N 346.540 6.464 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1CO1 104319529 VWYIWOYBERNXLX-SQUSKLHYSA-N 338.532 5.966 30 40 EKEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408738329 VAEFLCIVJHKURS-LPYMAVHISA-N 338.838 5.507 30 40 EKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc2ncccc2c1 408966417 MQRCDZYEDAIADV-QFEZKATASA-N 343.405 5.532 30 40 EKEB CC(/C=C/c1ccccc1)=N/OC(=O)c1ccc(Cl)cc1Cl 17242841 DXKCUSNXWLTQSZ-VOGWKXNRSA-N 334.202 5.240 30 40 EKEB Cc1ccc2nc(N/N=C/c3cccs3)nc(-c3ccccc3)c2c1 46085339 IMUOPTNAIGKTAI-FYJGNVAPSA-N 344.443 5.113 30 40 EKEB O=C(/C=C/c1ccccc1)c1cccc(N2Cc3ccccc3C2)c1 59503632 UETHSRPBYUQJRZ-BUHFOSPRSA-N 325.411 5.103 30 40 EKEB CCCCCCCCCOC(=O)Nc1ccc(Cl)c(Cl)c1 100024661 AFRRIIUGPLJXIR-UHFFFAOYSA-N 332.271 6.293 30 40 EKEB C=CCOc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 408562629 DNDJSTSBXXHWIR-UHFFFAOYSA-N 347.867 5.026 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OCC 6959301 DDBZXMNUDJWMRB-LPYMAVHISA-N 341.838 5.118 30 40 EKEB Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(F)cc1 408738395 WQMDBSDBHRGBJC-OEAKJJBVSA-N 335.426 5.050 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C 409216638 MVCHJNNHROXEHM-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB C(=N/c1ccccc1)\c1ccc(OCc2cccc3ccccc23)cc1 409217441 UYXBKLBSCDQPSM-KOEQRZSOSA-N 337.422 6.169 30 40 EKEB O=C(/C=C/c1cccc2ccccc12)c1ccc(Cl)cc1Cl 16957373 DFKKJKLEGKUZNZ-DHZHZOJOSA-N 327.210 6.043 30 40 EKEB O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc2ccccc2c1 40139533 REXINDONNDGYDN-ZHACJKMWSA-N 342.423 5.254 30 40 EKEB O/N=C(/c1ccccc1)[C@@H](c1ccccc1)C(Cl)(Cl)Cl 104132282 PUGNACWPMRGYOZ-ZDKYXOAUSA-N 328.626 5.019 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl 409021232 ZHZXXDJTCVQIEZ-JNCAFBRLSA-N 337.850 6.421 30 40 EKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCCC 409115960 KBDUJJQZBYPJJT-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB N#Cc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 32510 XUELJJXNKKQMDI-UHFFFAOYSA-N 327.412 5.084 30 40 EKEB CCCCCCCC(=O)Nc1ccccc1Sc1ccccc1 100985376 OUPKBGSSNDLRIQ-UHFFFAOYSA-N 327.493 6.137 30 40 EKEB CCOc1ccc(/C=N\CC2(c3ccccc3)CCCC2)cc1OC 101268806 AZXJGJCXJMITFH-KQWNVCNZSA-N 337.463 5.025 30 40 EKEB Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1Cl 408812247 MHSFJXFYXDMLBU-MTJSOVHGSA-N 329.230 5.843 30 40 EKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(C)c1 2448496 SMBUHALWIXTSML-UHFFFAOYSA-N 335.476 5.040 30 40 EKEB C/C(=N\OC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 4523801 BIXBQIQUTLDCRC-KEBDBYFISA-N 347.798 5.275 30 40 EKEB Cc1cccc(/N=C2/NC(=O)S/C2=C\c2ccc(Cl)cc2)c1 5754838 GDKSQWVMMDGXCW-GDNBJRDFSA-N 328.824 5.176 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1C 409209518 CCBFGMPYWAJODX-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB C=CCn1c(-c2ccccc2)csc1=Nc1c(C)cc(C)cc1C 584905952 JNGGGINWYDRMIW-UHFFFAOYSA-N 334.488 5.560 30 40 EKEB COc1cccc(/N=C/C2=C3N(CCC2)c2ccccc2C3(C)C)c1 55619 SXMTVXJSFQFYLH-HZHRSRAPSA-N 332.447 5.243 30 40 EKEB N#C[C@H](c1ccccc1)[C@@H](c1ccccc1)c1cccc2ccccc12 1564946 ORUOOZRLKXSWDE-RPBOFIJWSA-N 333.434 6.279 30 40 EKEB c1ccc(C/C(=N\Nc2ccccc2)c2ccc3ccccc3c2)cc1 4701197 RVACYFKHJLTKHI-SHHOIMCASA-N 336.438 5.899 30 40 EKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\Nc1nc(-c3cccs3)cs1)C2 4746631 ODZLJGDWICDQIS-YHRAQCIHSA-N 331.510 5.486 30 40 EKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc[nH]1 5945601 OGGOCDIKVFTXGI-QFIPXVFZSA-N 342.442 5.477 30 40 EKEB Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 33731623 DAIGAYWNXAZHEF-BDYZYUDZSA-N 342.489 5.069 30 40 EKEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 409093634 BKPCHXKATRQQBD-UHFFFAOYSA-N 345.830 5.005 30 40 EKEB CCc1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 409381385 TYYNALPJZCEMMX-CYGNYLSHSA-N 345.870 5.839 30 40 EKEB CC1(C)C/C(=N\O)c2cc(-c3ccccc3)n(C3CCCCC3)c2C1 6663698 KHWJQFMKVPBHKA-FCDQGJHFSA-N 336.479 5.811 30 40 EKEB Clc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 10118784 RVGLJKHVWMSULK-WSDLNYQXSA-N 345.229 5.377 30 40 EKEB CCCCCCCNCc1cccc(OCc2ccccc2Cl)c1 102568241 AHJDDAAIGDVAAE-UHFFFAOYSA-N 345.914 5.979 30 40 EKEB O=C(C[n+]1ccc2ccccc2c1)c1ccc2ccc3ccccc3c2c1 1668172 PEORSWMJIRSOSN-UHFFFAOYSA-N 348.425 5.317 30 40 EKEB in-vitro C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC 8368510 XYHZNWCRKDXFIA-CIAFOILYSA-N 329.827 5.281 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br 8368625 BEHPYENIWKKPIT-UDWIEESQSA-N 344.252 5.381 30 40 EKEB CCCCCCCCCCCCCC(=O)Nc1nnc(CC)s1 8387027 ZVJOUCSAPLPOCV-UHFFFAOYSA-N 339.549 5.740 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2cccc(OC(F)(F)F)c2)cc1C 44844160 HRZKUJVFWHNRKM-CMDGGOBGSA-N 335.325 5.011 30 40 EKEB c1ccc([S+](c2ccccc2)c2ccc(-c3cccs3)cc2)cc1 95932876 DETLSQFJIKIOJL-UHFFFAOYSA-N 345.512 6.511 30 40 EKEB CCCCCCCc1ccc(C(=O)c2cnc3ccccc3c2)cc1 100594252 MSRUPHHGPYDOED-UHFFFAOYSA-N 331.459 5.979 30 40 EKEB CCCCCCCCCCCCc1ccc(S(=O)(=O)OC)cc1 108623483 UHTWOEBPFGWBTK-UHFFFAOYSA-N 340.529 5.485 30 40 EKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225933230 LNSRXBBKTYKPFT-UHFFFAOYSA-N 335.447 5.010 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccccc3)c2c1 408776310 YLXOZDQHJACZSK-HAHDFKILSA-N 326.399 5.594 30 40 EKEB Cc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 35010 QCEHOGQBJLVNHB-HSZRJFAPSA-N 340.426 5.217 30 40 EKEB COc1ccccc1Oc1ccc(N/C=C2/CCC[C@H](C)C2=O)cc1 3639257 XTIMZFFERFLWSW-RIBQPWQFSA-N 337.419 5.172 30 40 EKEB CN(C)c1ccc(/N=N/C(=N\Nc2ccccc2)c2ccccc2)cc1 4733260 GVGRXNFVDRAVMJ-WQQFVFIJSA-N 343.434 5.310 30 40 EKEB COc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 8160054 JAPLCEBATUTGQH-HYARGMPZSA-N 337.806 5.892 30 40 EKEB Cc1ccccc1/C(=N\c1ccccc1)Oc1ccccc1[N+](=O)[O-] 17061521 RGQKULNBHBJPQX-QZQOTICOSA-N 332.359 5.061 30 40 EKEB CCCCCCCCCCC/C=C/C(C)(C)/C=C\CCCC(=O)O 33185488 AGKRHAILCPYNFH-YZXPOQMXSA-N 336.560 7.301 30 40 EKEB CC(C)=NNc1nc2ccc(-c3nc4ccccc4s3)cc2s1 40542357 AMMOBHBZYXIDMB-UHFFFAOYSA-N 338.461 5.381 30 40 EKEB CCCCCCCCCCCC1=NC[C@@H](C[C@@H](C)CC(C)(C)C)O1 104043200 JHOWWIRKZSMQAQ-WOJBJXKFSA-N 337.592 7.167 30 40 EKEB O/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 216848781 UTBBZZSPMLWLJT-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1Cl 409098541 PCQSKNNAEZLIJE-OCKHKDLRSA-N 328.626 5.796 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2C)c1 145356 KRFNLNFVDJXMIA-UHFFFAOYSA-N 342.870 5.738 30 40 EKEB CC(C)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 508334 XWFWHBCHQBBWTR-UHFFFAOYSA-N 328.506 5.309 30 40 EKEB C=CC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C(C)C 4176941 SABFVQHSNHWNOI-MYDTUXCISA-N 335.491 5.042 30 40 EKEB C[C@@H](CN1CCCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 6487193 REBDEAWQRSMFKW-NRFANRHFSA-N 346.518 5.398 30 40 EKEB COc1ccc2c(c1)CC/C(=C/c1cccc(Cl)c1Cl)C2=O 13135246 SZEFXILUBHCOTF-LCYFTJDESA-N 333.214 5.215 30 40 EKEB CCCCCCc1nc(N)c(C#N)c(-c2ccccc2)c1CCCCC 19832278 KTCOBELKPLIWSW-UHFFFAOYSA-N 349.522 6.058 30 40 EKEB COc1ccc([C@H]2CC(O)=C/C(=N\c3cc(Cl)ccc3O)C2)cc1 104162175 WWTGHJZRNGDWSR-QQJFDMGQSA-N 343.810 5.146 30 40 EKEB CCCCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 105342515 BIGPXPSOKMAVRZ-UHFFFAOYSA-N 343.467 5.183 30 40 EKEB C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1 149311030 ZSAVFSVJKKYWBQ-UHFFFAOYSA-N 344.473 7.231 30 40 EKEB C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC[C@@H](C)CCOC(C)=O 247913178 LZGVQJDYLAUCGI-UYBVGCJSSA-N 348.527 5.334 30 40 EKEB biogenic,in-vitro CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cc(Cl)cc(Cl)c2)C1 408563085 IGMTYWPHIIPYJQ-YLSINNKHSA-N 340.294 6.095 30 40 EKEB COC(=O)c1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 408741818 SCGCJHHCZHFPPY-HYARGMPZSA-N 338.451 5.147 30 40 EKEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 570354 GXEUESVRVWNOIA-CYBMUJFWSA-N 346.455 5.150 30 40 EKEB COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(Cl)cc1 5320436 RPBAIWPSJUSOIP-QPJJXVBHSA-N 341.621 5.552 30 40 EKEB C/C=C\C=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 5662765 SRXVDPUCEILPPO-BAZMDBSESA-N 343.495 6.274 30 40 EKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 16102071 BNYMNZDKRAMIQP-LTGZKZEYSA-N 331.375 5.157 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(O)cc3)cc21 198083938 VYSJSSMGOKNOLJ-UMYHVIPVSA-N 342.870 5.518 30 40 EKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(Cl)cc1 408775815 UZKIAPHIAWBSLV-WSDLNYQXSA-N 326.802 5.637 30 40 EKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C 409113963 JVQBFUUEGZTQOT-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc(Sc3ccccc3)cc2)cc1 4866083 NYQYYLPUTPOMIG-CXUHLZMHSA-N 346.451 5.743 30 40 EKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 5908041 FMEJYDFSVLUJOT-VSMYLPJWSA-N 332.787 5.218 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C 6941547 KRJXRIGLUFKWAT-UDWIEESQSA-N 346.268 5.605 30 40 EKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3)cc21 198083424 IBLABBFGFVCVPH-KOUDTOEKSA-N 326.871 5.813 30 40 EKEB CCOc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 408723642 YQHMBOPYCNYNLS-FYJGNVAPSA-N 334.444 5.058 30 40 EKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(N(CC)CC)cc1 409112642 FTDIUKCMMMXGIO-KGENOOAVSA-N 330.859 5.336 30 40 EKEB N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2650380 NOZXACRHLBNLCT-UHFFFAOYSA-N 332.790 5.131 30 40 EKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 8073539 LSSIGRVIYRTYMM-UHFFFAOYSA-N 345.398 5.296 30 40 EKEB CCCCCCCCCCCCCCCCNCc1cccs1 100023245 VURMRPLLFYFVEC-UHFFFAOYSA-N 337.617 7.319 30 40 EKEB CCCCCCCCCCCCCCCC[S@@+](C)CCC(=O)O 105016510 UAAAFMIMHFYGHZ-QHCPKHFHSA-O 345.613 6.191 30 40 EKEB CC(C)[C@@H]1CC[C@H](C)/C(=C\C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 136061519 CDLMGTMYJCSWTE-GTADQSMVSA-N 330.512 5.382 30 40 EKEB CC1(C)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC1 225371388 FLTWAACWMVVWMW-YCRREMRBSA-N 342.822 5.034 30 40 EKEB Oc1c(C=Nc2ccc(Br)cc2)ccc2ccccc12 260840578 GHNSLMGYVKZPQV-UHFFFAOYSA-N 326.193 5.059 30 40 EKEB Clc1sc(/C=N/c2cccc3ccccc23)c(Cl)c1Cl 552037 VCOMSXKTLZXXAI-UFWORHAWSA-N 340.662 6.612 30 40 EKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2ccc([N+](=O)[O-])s2)c1 4738192 PLSGYORYOQMUEJ-CAOOACKPSA-N 338.816 5.063 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 100116505 HFBDHZMENCSEER-LPYMAVHISA-N 347.418 5.370 30 40 EKEB Cc1c(C#N)c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 555452 CHOKQTZTZWNNQM-UHFFFAOYSA-N 332.447 5.198 30 40 EKEB CCOc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 17315662 WXQDMBWDCPSXOH-UHFFFAOYSA-N 341.773 5.041 30 40 EKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 17729779 JNDAODAPMCHYCC-UHFFFAOYSA-N 344.393 5.113 30 40 EKEB CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(COCCC#N)CCC[C@@]21C 34261499 KNDKKHHPKWWADZ-VABKMULXSA-N 339.523 5.751 30 40 EKEB CCCCCCCc1n(O)c2c3ccccc3c3ccccc3c2[n+]1[O-] 100981378 QIAGTRPTBGVKFZ-UHFFFAOYSA-N 348.446 5.331 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(C)c(Cl)c1 101471468 AZTAQLCVPHPKGM-UHFFFAOYSA-N 336.947 7.532 30 40 EKEB CCCCCCCc1ccc2cccc3c2c1C(=O)c1ccccc1-3 104153144 GSEZAOZHKMOPDK-UHFFFAOYSA-N 328.455 6.564 30 40 EKEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966959 OGNRPGJRDFTDQB-BUVRLJJBSA-N 346.474 5.848 30 40 EKEB CCN(CC)c1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1 408978424 ZSZHDIAXKPIQGX-XQNSMLJCSA-N 346.478 5.086 30 40 EKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl 993853 UYLLAMRRYVCVFG-SRZZPIQSSA-N 344.245 5.547 30 40 EKEB C[C@@H]1CCc2c(c(-c3ccccc3)n3c(nc4ccccc43)c2C#N)C1 170622690 MMEMHGPKYLNSHH-OAHLLOKOSA-N 337.426 5.151 30 40 EKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccsc1 3233469 XUKMQJRZEVIXJD-RGVLZGJSSA-N 325.820 5.383 30 40 EKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C2CCCCC2)cc1 6048967 RWIAUIGMIZEYBY-OVCLIPMQSA-N 335.403 5.539 30 40 EKEB Cc1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)ccc1Cl 33373939 MKRFMIVBRIFCRY-VURMDHGXSA-N 325.622 5.851 30 40 EKEB CCCCCCCCCCCCCCCCCCCCC(N)=O 59467080 YVGIZDMMJNFWGS-UHFFFAOYSA-N 325.581 6.904 30 40 EKEB Fc1c(F)c2c(F)c(F)c1=CC=c1c(F)c(F)c(c(F)c1F)=CC=2 68568368 FUZVVEKKVUPWGT-UHFFFAOYSA-N 348.192 1.635 30 40 EKEB C(=C\c1ccccc1)\C=N/CCCCCC/N=C\C=C\c1ccccc1 103615051 ATPFMBHTMKBVLS-SMAHQDBRSA-N 344.502 6.115 30 40 EKEB COc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1OC 104180815 RKFNYVXFWMZKNU-UCQKPKSFSA-N 329.399 5.026 30 40 EKEB Cc1ccsc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409081858 IDUGDHYGYMRYAX-PUFAJPFRSA-N 342.533 5.891 30 40 EKEB C=CCOc1ccc(CNc2cccc(C)c2C)cc1Br 409113507 GMVMXRZUVFQCLD-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/N=C/c1ccco1 2576647 CCINTZCABCTFDS-PQEHHWQQSA-N 348.189 5.003 30 40 EKEB CCCOC(=O)Nc1ccccc1/N=C1/CCC/C1=C\c1ccccc1 6052258 TWVWNSUCYZBHSW-AJVCOWBVSA-N 348.446 5.985 30 40 EKEB CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccccc2)n1 7995227 WOCBSEMMOOQYRP-UHFFFAOYSA-N 346.459 5.098 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 8085124 TWTGHZMVPNHPCW-BUVRLJJBSA-N 333.406 5.718 30 40 EKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cc(Cl)ccc2Cl)C1 408563906 SBKXBYWZNDIOSN-YLSINNKHSA-N 340.294 6.095 30 40 EKEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccccc3CC)c2C)c1 408966418 LMYBQZSHFGKUJU-JLPGSUDCSA-N 346.474 5.806 30 40 EKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCCC 409127127 CUVFDOVRXBWOOD-UHFFFAOYSA-N 339.479 5.523 30 40 EKEB O=C(/C=C/Sc1ccc(Br)cc1)c1ccc(F)cc1 2557659 XVTCICDLTSFVDX-MDZDMXLPSA-N 337.213 5.077 30 40 EKEB CN(C)c1ccc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 4116805 JIQDMWDYGIPGAT-UHFFFAOYSA-N 337.507 5.664 30 40 EKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)s1 4599770 UCCAPMUPCMZLCE-QLEYDUCCSA-N 336.376 5.822 30 40 EKEB CN(c1ccccc1)[C@H](C#N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 5726701 DEDGVOVQBOJHAC-OAQYLSRUSA-N 334.507 5.983 30 40 EKEB CCCCCCCCC[C@@H](CCCCCCCC(=O)O)OC(C)C 100300775 PXGFSFTWBGIYOM-FQEVSTJZSA-N 342.564 6.736 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102144082 LIRVPIVMKDJDEV-NDUPCHFUSA-N 340.511 5.079 30 40 EKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)cc1 409075292 YMMKUDXKUJITDI-OZKVFTRCSA-N 345.377 6.050 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(Cl)c1 409231441 KGUVEQYBLMADLE-KGENOOAVSA-N 328.843 5.090 30 40 EKEB CCCCc1ccc(/N=C/c2cc(Br)ccc2O)cc1 5597372 UPCKHINKYVHUJM-XDHOZWIPSA-N 332.241 5.248 30 40 EKEB O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 5649226 PVZWZWTWHPQAQC-KAMYIIQDSA-N 348.829 5.815 30 40 EKEB Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] 408810318 IQSLAZDYXISUCX-NDENLUEZSA-N 339.782 5.098 30 40 EKEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(C2CCCCC2)cc1 4923945 KLRQPNZWFNNOGM-PXLXIMEGSA-N 336.435 5.269 30 40 EKEB CCCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n12 12648757 MBEWYDITCLBSCZ-UHFFFAOYSA-N 348.494 5.612 30 40 EKEB Clc1ccccc1/C=N\Nc1c2ccccc2nc2ccccc12 31672194 DGIDDPPXGRLXAC-XKZIYDEJSA-N 331.806 5.487 30 40 EKEB CCCCCCCCCCCCSC(=N)N1CCC(C)CC1 100611938 JJKCBQFOEFJTBC-UHFFFAOYSA-N 326.594 6.307 30 40 EKEB Cc1cccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)c1 102417509 VRSFKITVXHLMDX-LPYMAVHISA-N 328.371 5.259 30 40 EKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cccc(Cl)c2Cl)C1 408564241 XCWNLQUBYGCZIK-XZHRJIJLSA-N 340.294 6.095 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OCC 409112655 FONCEQNERBMYGU-UHFFFAOYSA-N 345.870 5.532 30 40 EKEB Oc1ccc2ccccc2c1/C=N/c1nc2ccc(Cl)cc2s1 3107655 GAZRXZOKVSCTNY-KEBDBYFISA-N 338.819 5.559 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc21 18209540 PGNDKOWODWWYKP-HYARGMPZSA-N 343.386 5.473 30 40 EKEB CCCCCCCC/C(=N\O)c1ccc(OCCCCCC)cc1O 100930239 HMTDDFYTRKMQJU-LSDHQDQOSA-N 349.515 6.280 30 40 EKEB N#C[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1872812 RONHPHPSMUFWPP-YADHBBJMSA-N 325.411 5.351 30 40 EKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C)cc1 6961248 QBDIGJZTOYSHLI-LFVJCYFKSA-N 345.442 5.723 30 40 EKEB N#Cc1ccc(CSCc2csc(-c3ccsc3)n2)cc1 12976026 QHORALJPXMGZRL-UHFFFAOYSA-N 328.487 5.177 30 40 EKEB CCCCCCCC[C@@](CCN(CC)CC)(C(=O)O)c1ccccc1 100298351 KNPZROANQBBEIJ-QFIPXVFZSA-N 347.543 5.492 30 40 EKEB CCCCCCCCCCCC(=O)c1ccc(O)c2nc(C)ccc12 100935839 YPWWDWJXHBSPKE-UHFFFAOYSA-N 341.495 6.352 30 40 EKEB COc1ccc([C@@H]2CC(O)=C/C(=N\c3ccc(Cl)cc3)C2)cc1 102650658 NOAJZSSLPSHYCQ-NNLSSIJJSA-N 327.811 5.441 30 40 EKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 408759186 ZIGXHWJYIFUMOY-UUYOSTAYSA-N 343.257 6.152 30 40 EKEB CCCCCc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2)cc1 409355240 BWHCNQSIAVGWOJ-BUHFOSPRSA-N 327.855 5.881 30 40 EKEB C=CCn1c(-c2ccccc2)c(C)s/c1=N\c1ccc(Cl)cc1 2676663 HLAYZMZBFOIVOI-VZCXRCSSSA-N 340.879 5.597 30 40 EKEB Fc1ccc(N/N=C/c2c3ccccc3cc3ccccc23)c(F)c1 7141202 ZCYOHXKEPCSRTE-ZMOGYAJESA-N 332.353 5.717 30 40 EKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 408911009 MNCJRMHOCYKNNJ-UFFVCSGVSA-N 339.778 5.388 30 40 EKEB N#Cc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 5279081 IKUPYUHMOOUIOE-CCEZHUSRSA-N 339.394 5.033 30 40 EKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC 6959660 ZPNHMQGXZMSVIZ-CIAFOILYSA-N 331.843 5.505 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)c(C)c1 8368823 RHZIVDGDFOSBOZ-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl 8811581 VXEIJQDRJZWZHH-OEAKJJBVSA-N 338.838 5.016 30 40 EKEB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)Sc2ccccc21 13546317 PWVVZRIQDQKKBX-WOJGMQOQSA-N 349.367 5.184 30 40 EKEB C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(C)cc2C)c1 219793319 FKRXOUVNKJDKLR-OAQYLSRUSA-N 337.463 5.139 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)c1 408766669 WKYBXRJIEYIRJK-XYGWBWBKSA-N 338.454 6.306 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br 409218102 YNFDSBRPGAXVEB-UDWIEESQSA-N 344.252 5.381 30 40 EKEB CCOc1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)cc1 2053725 ZWVTVFRJAVRYLV-PXLXIMEGSA-N 342.870 5.480 30 40 EKEB CCCCCCCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2081241 CBSQLCKUONBUJQ-UHFFFAOYSA-N 347.440 5.017 30 40 EKEB C=C(C)COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4963489 WAXZERYFXCBCDH-PFDCGNQRSA-N 340.507 5.249 30 40 EKEB CCOc1cc(Cl)cc(/C=N/c2ccccc2C(F)(F)F)c1O 6892266 IXVKRGQRDXDDLD-ZVBGSRNCSA-N 343.732 5.214 30 40 EKEB Cc1ccc(-c2nc(C#N)c(Sc3ccc(Cl)cc3)o2)cc1 26841286 UOCIDIQCXHCTFY-UHFFFAOYSA-N 326.808 5.326 30 40 EKEB Cc1ccc(NC(=S)Nc2cccc(C#Cc3cccs3)c2)cc1 44346906 VNPRDORZCUBSOL-UHFFFAOYSA-N 348.496 5.265 30 40 EKEB Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 408691537 CPPXKGSXWGJALC-LFIBNONCSA-N 342.438 5.779 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C#N)C1 409080894 OIUUHZIBNUPIDK-LVCXCXRVSA-N 338.476 5.227 30 40 EKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2C)cc1OC 409376724 AIXAYMKVMDIVFM-LQFJMUIISA-N 331.843 5.585 30 40 EKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 291219 KJPAOQHXCOWVEX-LPYMAVHISA-N 332.790 5.899 30 40 EKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)c2C#N)cc1 2568481 AKBNFABCBKCCSF-UHFFFAOYSA-N 343.817 5.308 30 40 EKEB C=CCCCCCCCCC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O 4789587 FTGSSDKQGRPRJC-OBGWFSINSA-N 345.439 5.760 30 40 EKEB FC(F)(F)c1cnc(N/N=C/c2cccc3ccccc23)c(Cl)c1 6566464 GNNUFCCIWYBOGD-NUGSKGIGSA-N 349.743 5.353 30 40 EKEB CC1(C)OC12[C@H]1CC[C@@H]2c2c(Cl)c(Cl)c(Cl)c(Cl)c21 45071208 PFMYBKPRUIJMGV-GDCRSALOSA-N 338.061 5.822 30 40 EKEB CCCCCCCCCCCC[N+]1(C)CCC[C@H]1c1cccnc1 100674439 SINKRQTWVXZWEE-OWJIYDKWSA-N 331.568 6.284 30 40 EKEB Clc1ccc(/N=C(\Oc2ccc(Cl)cc2)c2ccccc2)cc1 104187146 IYTWTCYGDXHRGK-QOCHGBHMSA-N 342.225 6.151 30 40 EKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Cl 409144664 ZHNUHVHBOLHLFC-SRZZPIQSSA-N 344.867 5.301 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)oc2c1 318246 RFQKUJDPHPLKBP-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(F)cc1 8113537 WLBGRGKLJMNIHE-OEAKJJBVSA-N 335.378 5.164 30 40 EKEB COc1ccc(Br)cc1/C=N/c1cccc(Cl)c1C 8277788 IIZSMGDKFXBVQO-GIJQJNRQSA-N 338.632 5.170 30 40 EKEB C=CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br 8368006 BRNLDAGXTLYFCP-UDWIEESQSA-N 344.252 5.381 30 40 EKEB CCCCCCCCCCC/C(=N\O)c1ccc(OC)cc1OC 100923397 UNVUERRJNIDPEW-XUTLUUPISA-N 335.488 5.803 30 40 EKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12 32094 CUFROPAPALHYCN-OEAKJJBVSA-N 341.414 5.099 30 40 EKEB CCCC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@@H](CCC)C1=O 1666351 XAYKGPNIVWPWTC-REWPJTCUSA-N 334.459 5.127 30 40 EKEB C/C(Cl)=C/C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 2300451 ULJOKHHTEHSMCI-RGEXLXHISA-N 338.902 5.335 30 40 EKEB CCc1ccccc1/N=C1/NC(=O)/C(=C/C(C)=C/c2ccccc2)S1 5551444 ZKKJBSSRJNLFHL-FQHLDWHWSA-N 348.471 5.087 30 40 EKEB CCCCCCCNCc1ccc(OCc2ccccc2)c(OC)c1 100126329 ZCVPEWQLKAPICK-UHFFFAOYSA-N 341.495 5.334 30 40 EKEB C=CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 408575384 KSOJKHYWXLNGSJ-ONNFQVAWSA-N 348.229 5.210 30 40 EKEB COc1cccc2c(/C=N/c3ccccc3O)c(-c3ccccc3)[nH]c12 408843980 SYDFJXBITUHXQR-OEAKJJBVSA-N 342.398 5.300 30 40 EKEB CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC 100501261 LUYYTKKXYNRVHQ-TYYHYDAASA-N 342.523 6.637 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102144080 LIRVPIVMKDJDEV-DUPRYPCISA-N 340.511 5.079 30 40 EKEB CCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213441 MITRFJAIWOSLBJ-WQRHYEAKSA-N 328.462 5.255 30 40 EKEB C=C(C)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 521259 LIFAHZABAYDYTE-UHFFFAOYSA-N 340.806 5.377 30 40 EKEB biogenic C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@@H](OCC)OC1=O 96023739 HUJJMXMBEMUVOX-AWFLHDHLSA-N 346.511 5.411 30 40 EKEB biogenic C=CCSc1ccccc1C(=O)NCc1ccc2ccccc2c1 222803657 MDJWIMKLUKWYIR-UHFFFAOYSA-N 333.456 5.048 30 40 EKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#CCl 253617570 WJYFACPYOCRQPX-UMKHLJCSSA-N 334.931 5.350 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OC 409121448 ZXTMSIDDAHVLTA-UHFFFAOYSA-N 345.870 5.396 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)c1 100116633 LZIKFVKUHGTQKY-ZVHZXABRSA-N 330.475 6.078 30 40 EKEB Cc1ccccc1/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408959846 GVCFJWZZGQLLKT-UCQKPKSFSA-N 345.398 5.023 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)c(C)c1 409217316 OYVVNSUDFLJZLR-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB C(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1 46226 WHOFHRYOTYNCSS-JFMUQQRKSA-N 346.480 6.464 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1C 3193045 DJIXHWMIKJGGOZ-ZVHZXABRSA-N 330.475 6.078 30 40 EKEB FC(F)(F)c1ccccc1/C=N\Nc1nc(-c2ccccc2)cs1 4567554 HLLIJGAEGDAOMP-FBHDLOMBSA-N 347.365 5.275 30 40 EKEB Clc1ccc(-c2csc(NN=C3CCCCC3)n2)c(Cl)c1 15224794 WVRJYKWDVYLJTE-UHFFFAOYSA-N 340.279 5.849 30 40 EKEB O=c1oc2cc(/N=C/c3ccccc3Cl)ccc2c2ccccc12 17325627 ZKALLZGPPRUEMZ-WSDLNYQXSA-N 333.774 5.350 30 40 EKEB in-vitro O=[N+]([O-])c1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 20242133 UWMCTAFUQIZRLU-KGENOOAVSA-N 348.427 5.638 30 40 EKEB CCCCCCCCCCCCCC(=O)OC[C@H](CC)CCCC 100128620 GRXOKLJPWSYWIA-OAQYLSRUSA-N 340.592 7.447 30 40 EKEB Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc(N(C)C)cc3)c2C)c1 100252406 YPWAQSJOLXRJSC-BUVRLJJBSA-N 345.490 5.528 30 40 EKEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C 118914857 IVXCPPFOKIYBRE-WNGCJKCESA-N 328.540 5.420 30 40 EKEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C 137793383 JKENIRSEIALBGX-PAOVTUTPSA-N 344.499 5.246 30 40 EKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 408742822 YHFOBRVXLGFIDO-HYARGMPZSA-N 337.467 5.319 30 40 EKEB C=C(C)c1cccc(C(C)(C)NC(=O)NC(C)(C)CC(C)(C)C)c1 3257575 SQMBAULSKZYKBD-UHFFFAOYSA-N 330.516 5.469 30 40 EKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/O 12653670 GKFSDTRKPOZJAE-ROYNUPQNSA-N 345.571 7.142 30 40 EKEB CCCCCCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 97960185 DSMUZZFYHDBSQQ-IWGRKNQJSA-N 347.546 6.686 30 40 EKEB CCCCCCCCCCCCCC[C@]1(C(=O)O)CCOC1=O 100305571 RLHURWOUQQIVPI-LJQANCHMSA-N 326.477 5.096 30 40 EKEB O=C1/C(=C\c2ccc(Cl)cc2)CC/C1=C/c1ccc(Cl)cc1 67727 HOAWLEKLGGIUDF-NFLUSIDLSA-N 329.226 5.823 30 40 EKEB CCCCCCCCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 1669479 DCPWNRCJDQHBEH-FGZHOGPDSA-N 325.496 5.411 30 40 EKEB Cc1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)ccc1Cl 4276753 MKRFMIVBRIFCRY-SOFGYWHQSA-N 325.622 5.851 30 40 EKEB Clc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1Cl 4921516 PNWOSWAGFNJWTL-UHFFFAOYSA-N 339.225 5.838 30 40 EKEB C=C(C)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1 5601339 RDDYHYGKXUBYPP-UHFFFAOYSA-N 328.455 5.961 30 40 EKEB N#C[C@H](c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 13801219 SRQRABGFISPHTD-DHIUTWEWSA-N 337.426 5.103 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2F)cc1 44843337 KHBAQYLGWYOIAK-ZHACJKMWSA-N 347.817 5.467 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 408761776 BKZDRKSTINBPJN-PCLIKHOPSA-N 344.502 6.531 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C)cc2C)c1C 408960461 LXHUVZZLFATOLR-MYYYXRDXSA-N 344.502 6.332 30 40 EKEB Cc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2)cc1Cl 409011631 OAPZHLQAKIAJJH-MTJSOVHGSA-N 329.230 5.843 30 40 EKEB Fc1ccccc1COc1ccc(Cl)cc1/C=N/c1ccccc1 409202718 UIOBXHXGEIIAJG-YDZHTSKRSA-N 339.797 5.809 30 40 EKEB CCCCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2O)c1 5246285 FZDZCQRZVSQHGA-SDNWHVSQSA-N 346.426 5.620 30 40 EKEB C=C(C)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 8991512 OZCOYWWNWPSEPM-UHFFFAOYSA-N 334.366 5.307 30 40 EKEB C[C@H](/N=C\c1ccc(/C=N\[C@@H](C)c2ccccc2)cc1)c1ccccc1 18033437 IEDQNNBCANUHPF-IQJBFPGYSA-N 340.470 6.047 30 40 EKEB O/N=C1\CCC=CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 18119768 BFXQQPMAGMXACF-XMRRIMLESA-N 334.463 5.018 30 40 EKEB CCCCCCCCCCCCCCCCCC[n+]1cccc(C)c1 80589905 LCWAQSNTSNUAJP-UHFFFAOYSA-N 346.623 7.544 30 40 EKEB C=C1CC[C@@H]2[C@H](OC)c3ccccc3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2037843726 GBGAIZAWWNXLON-WMFFNKJVSA-N 340.507 5.934 30 40 EKEB CN(C)c1ccc(C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1 2049241015 PGXVQLMSRMMTSF-BOVYNVQMSA-N 341.458 5.282 30 40 EKEB CCOc1ccc(/C=N/c2nc3c(ccc4ccccc43)s2)cc1 354931 OAYMWLDLLMTNEH-FYJGNVAPSA-N 332.428 5.599 30 40 EKEB Cc1ccc2c(Cl)cc(Cl)c(OCc3ccccc3C#N)c2n1 6549431 OEHASUXDRZLQON-UHFFFAOYSA-N 343.213 5.301 30 40 EKEB C=CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 8554747 UMOPWYYKWPCJKF-UHFFFAOYSA-N 329.399 5.171 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)C(F)(F)F 34803424 SOJGXPSMVNTNQL-MDZDMXLPSA-N 334.466 7.155 30 40 EKEB CCCCCCCCCCCCCC[C@@H](O)CNCc1ccccc1 43285367 LEFGFOMCEHIGII-HSZRJFAPSA-N 347.587 6.228 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3)cc21 198083412 IBLABBFGFVCVPH-CYGNYLSHSA-N 326.871 5.813 30 40 EKEB C=CCSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2338634 UDPRWHPURDFVBQ-UHFFFAOYSA-N 338.501 5.515 30 40 EKEB O=C(/C=C/Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 32100141 DYDZVQMPGVTRBH-AATRIKPKSA-N 326.610 5.455 30 40 EKEB N#Cc1ccccc1/C=C\c1ccc(/C=C\c2ccccc2C#N)cc1 38611160 RBABXJPJIHMBBP-VMNXYWKNSA-N 332.406 5.771 30 40 EKEB CC[C@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)c1ccccc1 72238637 MXBOBZFKVKYOSQ-MRXNPFEDSA-N 331.419 5.127 30 40 EKEB Oc1ccc2ccccc2c1/C=N\c1ccc(Br)cc1 86053385 PXLPAZKKRLOYAO-ODLFYWEKSA-N 326.193 5.059 30 40 EKEB CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1 100233123 KLLIVCPQDTYMLC-OKILXGFUSA-N 326.436 5.120 30 40 EKEB in-man CN1/C(=C/C=N/c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc21 103449177 NBINJEAMQGKKSP-XMGKXQPASA-N 332.491 5.998 30 40 EKEB C=CCc1ccc(C(=O)OCCCCCCCCCC)c(OC)c1 104206650 OXFDLFDXGJQEIU-UHFFFAOYSA-N 332.484 5.721 30 40 EKEB Cc1ccc(-c2cc(C#N)c(NC(=O)c3ccccc3Cl)o2)cc1 144028 JQCGGVPIXGPKMK-UHFFFAOYSA-N 336.778 5.032 30 40 EKEB CC(=C/c1ccccc1)/C=N/N(Cc1ccccc1)c1ccccc1 3254627 MZUATIKKWOSQOP-WGBRHLHASA-N 326.443 5.783 30 40 EKEB COc1ccccc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 5514979 ANKANXCZYLLEAY-QGMBQPNBSA-N 329.614 5.101 30 40 EKEB O/N=C1\C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1c1ccccc1 33901448 QWMMGJJMBIYAMK-LSFYZVNXSA-N 342.442 5.076 30 40 EKEB N#CCOc1ccccc1/C=C/c1nc2c(ccc3ccccc32)s1 6509807 HOPPEZVSWMEPJO-ZRDIBKRKSA-N 342.423 5.522 30 40 EKEB Fc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(F)c1 6888726 BPEZUWJJPUEWMY-KPSZGOFPSA-N 335.568 5.371 30 40 EKEB Cc1ccccc1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 8570929 TYCWVZNIOVMLNY-HYARGMPZSA-N 346.386 5.233 30 40 EKEB O=c1oc2cc(/N=C\c3ccccc3Cl)ccc2c2ccccc12 100366385 ZKALLZGPPRUEMZ-UUYOSTAYSA-N 333.774 5.350 30 40 EKEB CCN1c2cc(C)c(/C=N\c3ccc(OC)nc3)cc2C(C)=CC1(C)C 223499399 RWRMLNFEAGRVAR-QRVIBDJDSA-N 349.478 5.171 30 40 EKEB CCC[C@@H]1C/C(=C/c2cccc(C)c2)C(=O)/C(=C/c2cccc(C)c2)C1 245285818 YRYBYZCFBUHJJQ-BBBBFTRWSA-N 344.498 6.550 30 40 EKEB Cc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc2ccccc2s1 4798180 OCEQHUXXEZPXEJ-MTJSOVHGSA-N 346.459 5.150 30 40 EKEB COc1ccc(Oc2ccc(N/C=C3/CCC[C@@H](C)C3=O)cc2)cc1 6714033 DVXSXSKPCVQFOC-VZHUHSAUSA-N 337.419 5.172 30 40 EKEB Cc1nc(SCc2nc(-c3ccccc3)oc2C)c(C#N)c(C)c1C 11226740 UMKWRARKJULAMS-UHFFFAOYSA-N 349.459 5.134 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCC(=O)O 59131983 HPFXACZRFJDURI-MDZDMXLPSA-N 339.520 5.225 30 40 EKEB CCCCCCCCCCCCNC(=O)[C@@H](CC)Oc1ccccc1 97941875 WQDITLNPSIEZHK-OAQYLSRUSA-N 347.543 5.881 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219818349 NWPSBUMARGOJFY-LJQANCHMSA-N 339.504 5.463 30 40 EKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)c2ccccc12 225940260 MCDDJEXVVHZNAT-UHFFFAOYSA-N 343.426 5.075 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)cc2)c1C 408961058 QNVYEFWZNRNMJX-ZVHZXABRSA-N 334.438 5.855 30 40 EKEB CC[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1 2736909 GAAFLROWZYIBQE-LLVKDONJSA-N 344.867 5.040 30 40 EKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OC 6959154 SSOWAYBVHSBGRO-KEBDBYFISA-N 338.234 5.460 30 40 EKEB C[C@@H]1CCC[C@H](/N=C(/S)Nc2ccc(SC(F)F)cc2)[C@@H]1C 13479384 NJNXEQZYMFOLLB-GYSYKLTISA-N 344.496 5.524 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(F)cc2C)cc1 51318543 CUOUYUKFCFFKQE-VAWYXSNFSA-N 327.399 5.122 30 40 EKEB O=CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 91690515 ATCUEUQVJVXGLH-UHFFFAOYSA-N 332.468 5.301 30 40 EKEB Oc1c(/C=N/c2ccc3c4c(cccc24)CC3)cccc1-c1ccccc1 103760898 HWCXHLGKLMWJBT-WGOQTCKBSA-N 349.433 6.062 30 40 EKEB CCCCCCCCCC(CCCCCCCCC)NC[C@H](C)O 104108972 OUAIMPXLZWTJOX-NRFANRHFSA-N 341.624 6.607 30 40 EKEB C=CCOc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 408562699 FOMRQCNLHLVHQB-SDNWHVSQSA-N 335.447 5.201 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)c1 408766869 TXPUGEBFLHBJJT-XYGWBWBKSA-N 344.502 6.451 30 40 EKEB Cc1ccc(/N=C\c2cccn2-c2ccccc2)c(Br)c1 408847439 VQQXKGZQCIXDSF-MOSHPQCFSA-N 339.236 5.299 30 40 EKEB CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccc(C)cc2)cs1 409055499 ZACKZNVCFMQPPO-YYMYKZPXSA-N 333.460 5.620 30 40 EKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(C)c1O 6281087 RPHUCRJAKAYZQJ-QGMBQPNBSA-N 338.632 5.176 30 40 EKEB CCCCCCCCCCCC[C@@H](CO)CCCCCCCC 97978864 AIFYEUWTOFTMPG-QFIPXVFZSA-N 326.609 7.657 30 40 EKEB in-vitro N#Cc1c(Cl)ncc2c1Nc1ccccc1[C@@H]2Sc1ccccc1 188795 ZJMACDCIQQNDPC-SFHVURJKSA-N 349.846 5.545 30 40 EKEB C=CCOc1ccc(/C(CC)=C(/CC)c2ccc(OCC=C)cc2)cc1 1620705 ZYOWCEUIZONTOK-VHXPQNKSSA-N 348.486 6.547 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OCC 8084296 NRGIHBFDUMDYRX-HYARGMPZSA-N 341.838 5.064 30 40 EKEB CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1 100302532 MYRDUMWBYFOSFH-SFHVURJKSA-N 347.499 5.478 30 40 EKEB C=CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 409213223 SUHHPOYMHXXABW-OEAKJJBVSA-N 335.834 6.117 30 40 EKEB O=C1/C(=C\c2ccc(Cl)cc2)CC[C@H]1CNc1ccc(Cl)cc1 1625967 JOAUFDHOAGJLJG-SZGZABIGSA-N 346.257 5.468 30 40 EKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Nc1ccccc1 2271550 UOFKBGAZNBPCPU-UHFFFAOYSA-N 347.421 6.031 30 40 EKEB Oc1ccccc1/C=N\N=C(\C=C\c1ccccc1)c1ccc(F)cc1 8637739 IRGXMSVMSRIOPZ-WYKHRQCBSA-N 344.389 5.068 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)O 88265337 MEESPVWIOBCLJW-KTKRTIGZSA-N 348.464 6.133 30 40 EKEB F/C(=C(C(=C\C(F)(F)F)\C(F)(F)F)/C(F)(F)F)C(F)(F)F 95671269 DPXNAJTXBVCZPB-BXTBVDPRSA-N 344.070 5.386 30 40 EKEB in-vitro O=C(/C=C/Nc1ccc(F)c(Cl)c1)c1cccc2ccccc12 409181481 BMCCJCJNLDPTIY-ZHACJKMWSA-N 325.770 5.441 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1 409186726 HARXIFPJFUBTSJ-OEAKJJBVSA-N 336.410 5.383 30 40 EKEB C(=N/Nc1nc(-c2cccc3ccccc23)cs1)\c1ccccc1 3896831 CZUIBSKCAICYBI-FYJGNVAPSA-N 329.428 5.409 30 40 EKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967669 RMOQISRQUPZJRE-MFKUBSTISA-N 348.465 6.281 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1C 409198867 ABDHUOBSJIZQOY-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB O=C1/C(=C\c2c3ccccc3nc3ccccc23)Sc2ccccc21 5338575 RQAXHCNCZCILSB-FYJGNVAPSA-N 339.419 5.718 30 40 EKEB FC(F)(F)c1ccc(Cl)c(/N=C2\Nc3ccccc3CS2)c1 8519579 OYHISQXRPZOSMA-UHFFFAOYSA-N 342.773 5.705 30 40 EKEB C=CCOc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10367851 MCLHZKOMAFPLRF-UHFFFAOYSA-N 337.463 5.120 30 40 EKEB O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 27906101 TZFGRTSQZHOWCK-VAWYXSNFSA-N 341.332 5.667 30 40 EKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#CCl 253617571 WJYFACPYOCRQPX-WZGFBNHNSA-N 334.931 5.350 30 40 EKEB C=CCOc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408616507 ABLUGDAJOPKZSG-UHFFFAOYSA-N 343.382 5.403 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(Cl)c2)c1C 408965050 FSXQOJKNLWTDRM-OEAKJJBVSA-N 336.866 6.061 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 409229522 QKUGSTYLQUQLNK-HMAPJEAMSA-N 337.875 6.550 30 40 EKEB CCCCCCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2071725 LIXWNKSFDOFRPP-UHFFFAOYSA-N 339.435 5.066 30 40 EKEB biogenic CCc1ccc(/N=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 3765220 PZLBXSPWVKVIAC-HIXSDJFHSA-N 344.458 5.220 30 40 EKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccccc2)cc1 409101923 ZOIDWIFDSIWNCZ-FOCLMDBBSA-N 345.398 5.296 30 40 EKEB C[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 570353 GXEUESVRVWNOIA-ZDUSSCGKSA-N 346.455 5.150 30 40 EKEB CCCCCCCCCCCCCC/C(C(=O)O)=C(\C)C(=O)O 14276303 ULSDRNDLXFVDED-MSUUIHNZSA-N 326.477 5.563 30 40 EKEB in-vivo C=CCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 408737430 QGCLIVKKTHSJRW-FYJGNVAPSA-N 349.459 5.129 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2SC)c1C 408968529 WSUJGDWLCPAHAT-HZHRSRAPSA-N 348.515 6.129 30 40 EKEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 109543 NGBRDJLJZLPXEH-JOCHJYFZSA-N 346.474 5.471 30 40 EKEB C=CC[C@@]1(c2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 1016602 LBIZGRTVIHMCLN-QHCPKHFHSA-N 325.411 5.227 30 40 EKEB C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1cccc(C)c1 4356316 IZLRLJSDRQMFRB-UHFFFAOYSA-N 349.503 5.349 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)s1 5515418 OHVMMPMIOGYDAG-NTEUORMPSA-N 348.854 5.697 30 40 EKEB COc1ccc(-c2ccc(C#N)c(SCc3ccccc3C)n2)cc1 6898403 BDMYFPAXHDBMPE-UHFFFAOYSA-N 346.455 5.230 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3F)cc2)c1 8368154 NDHGQJUCDRREMG-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB Cc1ccccc1/N=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 408741653 RIQZTYDENIPGHG-HZHRSRAPSA-N 331.463 5.219 30 40 EKEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1cccc(Cl)c1 408753283 GCZDJPRRVYHQOB-CIAFOILYSA-N 340.879 5.787 30 40 EKEB CCc1ccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc1 409088917 MHRNLUSGFIWXDD-WUKNDPDISA-N 343.426 5.850 30 40 EKEB Cc1ccccc1/N=C\c1cccc(OCc2cccc(Cl)c2)c1 409212263 PFSZBKWVYKTQMI-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB O=C(/C=C/c1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 5279066 LYNJGZMPOZPNNL-ACCUITESSA-N 348.829 5.815 30 40 EKEB COc1ccc2ccccc2c1C[C@@H](C#N)c1nc2ccccc2s1 39391587 DCUKDRXQVVFUFV-HNNXBMFYSA-N 344.439 5.308 30 40 EKEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C 118933846 GJPBKKSNBJBHEI-IJMQKCTASA-N 336.466 5.029 30 40 EKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408751925 DTMXCVKWGXFDHQ-QRVIBDJDSA-N 336.866 6.115 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N\Cc3ccccc3)c2c1 408775118 ZBFROCLEAZENJC-JLPGSUDCSA-N 340.426 5.463 30 40 EKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3F)c2C#N)C1 409217286 OQOXYWQXWKJORY-IIHGDPFSSA-N 340.467 5.660 30 40 EKEB CCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1O 100925784 CLJKODRSYZQUCF-UHFFFAOYSA-N 326.436 5.514 30 40 EKEB CCCCCCCCCCCCNCc1ccc(Cl)c(Cl)c1 104177653 GWPKKNRMJWFWGI-UHFFFAOYSA-N 344.370 7.004 30 40 EKEB CCN(CC#N)c1ccc(/N=N\c2cc(Cl)ccc2Cl)cc1 104224658 NKIBJAPDPOJTJE-MRCUWXFGSA-N 333.222 5.759 30 40 EKEB C=CCOc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 408573909 FFHVZKBATMJHGI-LTGZKZEYSA-N 345.398 5.024 30 40 EKEB COc1cccc2c(/C=N\c3ccc(O)cc3)c(-c3ccccc3)[nH]c12 408830691 OCQPZUPJYUUJKD-UCQKPKSFSA-N 342.398 5.300 30 40 EKEB C=CCOc1ccc2ccccc2c1/C=N/c1ccc(OCC)cc1 6962084 WEOQFTFARBXDOW-XQNSMLJCSA-N 331.415 5.554 30 40 EKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)c2cccc3cccc1c23 12558506 BQXBRZMXCMEWRU-CXUHLZMHSA-N 325.194 5.884 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] 13633456 NLMCUUBZGIAOMG-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB CCCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 44136976 YVEDSNAPDAXLDD-UHFFFAOYSA-N 347.458 5.737 30 40 EKEB CCCCCCCC/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC 89456628 YOAQIJHBMIIBJM-FZPAGVOQSA-N 334.500 5.516 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(C)o3)cc2)o1 89740996 UTOCENHRUQRYIA-WGDLNXRISA-N 346.382 5.282 30 40 EKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 408737756 GPUKUUYMJSZLAM-MFKUBSTISA-N 342.417 6.137 30 40 EKEB CCC[N+]1(CC#CCC(c2ccccc2)c2ccccc2)CCCCC1 4806787 USIDXIDZIUEJKU-UHFFFAOYSA-N 346.538 5.623 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc3oc4ccccc4c3c2)cc1 4866084 XSYCLSCJFVVBHO-XYOKQWHBSA-N 328.367 5.491 30 40 EKEB COc1ccc(C(=O)/C=C/c2c(OC(C)C)ccc3ccccc23)cc1 7939569 FJRPCIMNBHSQAU-BUHFOSPRSA-N 346.426 5.532 30 40 EKEB Clc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 20242216 JLOSCMVALUUCTE-HYARGMPZSA-N 337.875 6.383 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C\c4cccs4)cc3)sc2c1 101206838 SBVBFJXAIORWIK-NDENLUEZSA-N 334.469 6.084 30 40 EKEB Cc1cc2c(cc1/C=N/Nc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223587609 CHLYSQPIAVPHBY-LSPPGFKNSA-N 349.522 5.942 30 40 EKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)CCCC3 2217520 QRAGWPYKXUZVIZ-UHFFFAOYSA-N 335.542 5.215 30 40 EKEB O=C1/C(=C/c2ccccc2[N+](=O)[O-])Sc2ccc3ccccc3c21 16676159 LFRZIRQRGALBEI-BOPFTXTBSA-N 333.368 5.078 30 40 EKEB C(=C\c1ccccc1)\C=N/CCCCCC/N=C/C=C/c1ccccc1 17315001 ATPFMBHTMKBVLS-IOCYPOQMSA-N 344.502 6.115 30 40 EKEB CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)CC1 100003671 QIIFDEDLUFVBCI-RVWIWJKTSA-N 345.461 6.171 30 40 EKEB CCCCCCCCCCCCCCCCCC(=O)NCOCC 104049006 HHEXLEAIEOBSHE-UHFFFAOYSA-N 341.580 6.358 30 40 EKEB C=CC(=O)OC[C@@H](C)CCCCCCCCCCCCCCCC 111900188 KZMXOWBRTHYSGW-NRFANRHFSA-N 338.576 7.223 30 40 EKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OC 409113925 OUBASKBIWJXJED-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB Cc1cc(C(F)(F)F)c(C#N)c(Oc2cccc(C(F)(F)F)c2)n1 1388780 QHJUTPRVLVMEAE-UHFFFAOYSA-N 346.230 5.092 30 40 EKEB CCCCCCCCCCCC[C@@H](CCCCCCCC)C(=O)O 114647041 AUCFNMITBOAMCS-OAQYLSRUSA-N 340.592 7.749 30 40 EKEB in-vitro C=C(C)COc1cccc(C(=O)Nc2ccccc2SCC)c1 219790931 NEVORQNSWGWOKO-UHFFFAOYSA-N 327.449 5.006 30 40 EKEB COc1ccc(/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 409216505 IQUKIBIQNZQJSK-HAHDFKILSA-N 331.415 5.333 30 40 EKEB O=[N+]([O-])c1cc(/N=C/c2cccc(Cl)c2Cl)ccc1Cl 297183 UCVSTRSEYXZABT-REZTVBANSA-N 329.570 5.306 30 40 EKEB CC[C@H](C)c1ccccc1/N=C/c1cc(C)cc(Br)c1O 568858 RUNCIJDEGWTJRO-HSWQHBDASA-N 346.268 5.727 30 40 EKEB C/C(=N\OCCOc1ccccc1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 4084873 ORKWGMPNXNPHAW-AVQLUFSJSA-N 337.463 5.385 30 40 EKEB C=C(C)CSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5556587 QTILNQCIPGPDOH-UHFFFAOYSA-N 343.883 5.335 30 40 EKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2)cc1 59518840 XSCSDLTYQTVWBM-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCOc1cccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 107950152 RAHMADOVGUMSRN-CMDGGOBGSA-N 336.218 5.201 30 40 EKEB Clc1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 408734231 VGQJJSAGOFZAID-YDZHTSKRSA-N 332.834 5.611 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 3193031 UMPCLLHCFKLFQT-BUVRLJJBSA-N 346.474 5.860 30 40 EKEB CCCCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 5261204 IWOSYECDEJZJJR-UHFFFAOYSA-N 328.415 5.466 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 6432946 KMMWSTUGBHCMKO-RVDMUPIBSA-N 342.438 5.779 30 40 EKEB O=C(/C=C/Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 6927824 RRCNGJUMUBUKKK-BUHFOSPRSA-N 333.818 5.816 30 40 EKEB COc1ccc(CS/C(=N\c2ccccc2)NC(C)(C)C)cc1 15931823 CTYLGCXWYULTBU-UHFFFAOYSA-N 328.481 5.004 30 40 EKEB CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1ccccc1-2 22246906 NNWLPDIQUKGKBD-DARPEHSRSA-N 346.817 5.448 30 40 EKEB COc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)c2ccccc12 65330 QBHQGEWCTITJST-SRZZPIQSSA-N 330.214 5.906 30 40 EKEB CCOc1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1 292557 CDKYHEKBHNMPGK-XQNSMLJCSA-N 331.415 5.415 30 40 EKEB CC(C)(CN1CCCCC1)C(=O)/C=C\c1c(Cl)cccc1Cl 17254200 ZUWZJLYAMVJEKA-KTKRTIGZSA-N 340.294 5.088 30 40 EKEB O=C(/C=C/Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl 409058892 ZFRBWIONQLLYQR-AATRIKPKSA-N 328.145 5.080 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N/c1cc(Cl)ccc1C 409239801 QOFKRFCBXSDGRY-HYARGMPZSA-N 342.870 5.398 30 40 EKEB CC(C)(CN1CCCCC1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 1626392 QLQZYGWABCKINT-VQHVLOKHSA-N 340.294 5.088 30 40 EKEB C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CCC 4652800 XLHFFKXZZVJLIA-GPDNFFQDSA-N 349.518 5.432 30 40 EKEB O/N=C(\c1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 8656028 XLKFPTSFBIEJHV-SGFPKLHMSA-N 340.637 5.629 30 40 EKEB C[C@@H]1CCC[C@@H]1/C(=N\c1ccc(Cl)c(Cl)c1)N1CCCCC1 104090343 IMPYITBOWWOOET-UMSFUGNGSA-N 339.310 5.946 30 40 EKEB O=[N+]([O-])c1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1Cl 65335 VQMAHYUXPYNCIQ-REZTVBANSA-N 329.570 5.306 30 40 EKEB CCCC1CCC(CCc2ccc(-c3ccc(C#N)cc3F)cc2)CC1 2049161 BIKQDFMEIHOGCC-UHFFFAOYSA-N 349.493 6.903 30 40 EKEB CC(C)(C)N/C(CCSc1ccccc1)=N\c1ccccc1Cl 5713442 HFQJLGSZLVOOAT-UHFFFAOYSA-N 346.927 5.941 30 40 EKEB CC1=Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 7496260 RXSSXSQCWRJWML-GOSISDBHSA-N 344.458 5.729 30 40 EKEB CCCCCC/C=C\CCCCCCCCCc1cc(O)cc(O)c1 44430358 VBBLHZOJAWSCSP-FPLPWBNLSA-N 346.555 7.288 30 40 EKEB in-vitro CCCCCCCC/C=C/C/C=C\C/C=C\CCCC(=O)NCCO 100298956 YKGQBEGMUSSPFY-SLWLPBBHSA-N 349.559 5.465 30 40 EKEB CCc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)cc1 198096703 CROKOOKVTBMMIM-MXJLDLDKSA-N 334.507 6.112 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(CC)cc1 222648889 JBMUJBDFVIAQAG-OAHLLOKOSA-N 325.477 5.018 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)c1 408590829 QRHGJUZMUWGKCP-FSJBWODESA-N 331.419 5.235 30 40 EKEB CCCc1sc(N/N=C/c2ccco2)nc1-c1ccc(C)cc1 408754693 GVFTUDHROMVGGL-XDHOZWIPSA-N 325.437 5.110 30 40 EKEB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 4073849 JNABCHQTKFQDJL-OTAQKNNKSA-N 340.507 5.136 30 40 EKEB biogenic CCn1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(C)n1 6490238 QNGYHTXWUPBZEC-CSKARUKUSA-N 340.810 5.021 30 40 EKEB N#C[C@@H](c1ccccc1)[C@H](C/C(=N\O)c1ccccc1)c1ccccc1 6575551 LENXMXZDEOPCNP-RFZHNHFISA-N 340.426 5.346 30 40 EKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(F)cc1 6961337 LOTXACSTKLCCAY-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB C/C(Nc1ccc(Br)cc1)=C1/Sc2ccccc2C1=O 100094867 KLCVFAVYWPRQIP-YBEGLDIGSA-N 346.249 5.081 30 40 EKEB CCCCCCCCCCCCCCCC/C(=N\O)c1ccccn1 100674430 OTJSVALERQEWHQ-ZNTNEXAZSA-N 346.559 7.131 30 40 EKEB COc1ccc(C)cc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 103848569 BEKCQWLLOUODPT-CCEZHUSRSA-N 343.426 5.479 30 40 EKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccccn1 409251630 VCHPOKFDQUXERT-JJFYIABZSA-N 344.245 5.547 30 40 EKEB N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1Sc1ccccc1 495775 YXAUBOQCUOODRV-UHFFFAOYSA-N 348.271 5.142 30 40 EKEB Cc1nc2cc(/N=C/c3cccs3)ccc2n1Cc1ccccc1 535341 FIODOGRTKJYQAS-FYJGNVAPSA-N 331.444 5.205 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)cc1 3193096 GSVIRPWIDMFIRJ-HZHRSRAPSA-N 332.447 5.552 30 40 EKEB COc1cc2c(cc1/N=C/c1c(F)cccc1F)oc1ccccc12 3233494 QRDOPQLMAAXSDR-FOKLQQMPSA-N 337.325 5.623 30 40 EKEB C(=N/Nc1nc2ccccc2o1)\c1cccc(Oc2ccccc2)c1 4746677 OJBYBJVELBTDND-KGENOOAVSA-N 329.359 5.066 30 40 EKEB CCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213450 SFMBWKWAPIJOAS-UNOMPAQXSA-N 342.489 5.645 30 40 EKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(F)cc1 408737711 FVIJKMGPQUMSDG-ZVHZXABRSA-N 334.438 6.107 30 40 EKEB C=C1CC[C@H]2[C@H](OC)c3ccccc3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2037843725 GBGAIZAWWNXLON-CPHWIANGSA-N 340.507 5.934 30 40 EKEB C/C(=N\Nc1cccc2cccnc12)c1ccc2c3c(cccc13)CC2 4646441 NIMCGIMERAGMGD-MFKUBSTISA-N 337.426 5.323 30 40 EKEB O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C/c1ccc(Cl)cc1 12340163 MNFGLQYSNLSOHP-MCOFMCJXSA-N 343.253 6.213 30 40 EKEB CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCC[C@@H]3C)cc1 16609129 GZPFVYUWQSKPDR-AWEZNQCLSA-N 329.447 5.242 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Br)c(C)c2)cc1C 44844209 GWLZNQBKEBSNNI-CMDGGOBGSA-N 344.252 5.183 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2cccc(C(F)(F)F)c2)cc1 51318697 GUXDCGYCNUYLFI-ZHACJKMWSA-N 333.353 5.637 30 40 EKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccccc1 59518512 JPKVKIVBRAXDTQ-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCCCCCCCCCCCCCCCCC[S@@+](C)CC 95876071 GKCTWOKOPGPJDG-JOCHJYFZSA-N 329.658 7.516 30 40 EKEB CCCCCCCC[C@]1(CCC)NC(=S)N(c2ccc(C)cc2)N1 103707823 UUDNXPAKWLQGTR-HXUWFJFHSA-N 347.572 5.441 30 40 EKEB Cc1cc2c(cc1/C=N/c1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223586946 PYVOGOABLRGRGA-WORIPGKHSA-N 334.507 6.246 30 40 EKEB CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 408601822 LLEPQYLNYUHGFX-UUYOSTAYSA-N 338.476 5.284 30 40 EKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 408753931 LEFBNNOQTTZNEK-UUYOSTAYSA-N 343.257 6.152 30 40 EKEB Oc1c(/C=N/c2ccccc2Oc2ccccc2)ccc2ccccc12 409053602 GLQFUNZUDSNIKL-LFVJCYFKSA-N 339.394 6.088 30 40 EKEB Oc1ccc2ccccc2c1/C=N\c1ccc(Oc2ccccc2)cc1 100248266 HPHAMBOJMRZCFU-JLPGSUDCSA-N 339.394 6.088 30 40 EKEB Oc1ccc(Cl)cc1/C=N\Nc1c2ccccc2nc2ccccc12 104093224 NCKMTMWOCZXEPQ-UUYOSTAYSA-N 347.805 5.193 30 40 EKEB CCCCc1ccc(/N=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 409013987 OIXIAMDFNLZGRD-PFRBSUFTSA-N 343.898 6.611 30 40 EKEB N#Cc1sc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N 19141863 TVOGMJYJKPKQFF-UHFFFAOYSA-N 333.441 5.146 30 40 EKEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc2ncccc2c1 408967494 SOGQKGRUSAIATP-ZVHZXABRSA-N 341.414 5.099 30 40 EKEB CCCC[C@H](CC)[C@H](C#C[C@@H]([C@@H](CC)CCCC)N(C)C)N(C)C 4409543 RJLGGVZDIXQSOC-CMOCDZPBSA-N 336.608 5.283 30 40 EKEB CCCCCCNc1cc(CCC)c(C#N)c2nc3ccccc3n12 5248715 NMGXFBGYGLFMNA-UHFFFAOYSA-N 334.467 5.304 30 40 EKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 7778949 HGFSNJOBECQZDY-ZVBGSRNCSA-N 330.712 5.334 30 40 EKEB CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1 19095783 CZDLUSFSLSUPJN-UHFFFAOYSA-N 327.431 5.212 30 40 EKEB CCCC(=N/N=c1/[nH]c2ccccc2s1)/N=N/c1ccccc1C 22611983 FNVRWNYUFKANDY-QMHWDSPHSA-N 337.452 5.336 30 40 EKEB Cc1cccc(/C=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)n1 66088693 HUWUPWOWFCUTPG-IFRROFPPSA-N 348.155 5.162 30 40 EKEB CCCCCCCC(O)(CCCCCCC)CCCCCCC 100295760 CTXSMOGGQQVIQK-UHFFFAOYSA-N 326.609 7.799 30 40 EKEB CC(C)/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916342 QCPOUGYGVCEUFB-IWRDOLAWSA-N 328.540 6.181 30 40 EKEB COc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 408692627 RBFCAYJRAQWYOQ-NTEUORMPSA-N 345.442 5.307 30 40 EKEB O=C(O)c1ccc(Cl)c(/N=C/c2ccc(-c3cccc(F)c3)o2)c1 409013164 LTZBRJMEOVVODD-UFFVCSGVSA-N 343.741 5.188 30 40 EKEB COC(=O)c1ccccc1-c1ccc(/C=N/c2ccc(Cl)cc2)o1 574716 HITCYCUYGZISCR-CIAFOILYSA-N 339.778 5.137 30 40 EKEB CCCCCCCCCCNC(=S)N1c2ccccc2C[C@@H]1C 59662616 ZZSYPNSWUVWGCW-KRWDZBQOSA-N 332.557 5.453 30 40 EKEB N#CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCCCCC1 84419627 MGHSPYVEPIXERP-UHFFFAOYSA-N 343.858 5.043 30 40 EKEB N#C[C@@H](c1ccccc1)[C@H](C/C(=N/O)c1ccccc1)c1ccccc1 100367399 LENXMXZDEOPCNP-MXYLMPPISA-N 340.426 5.346 30 40 EKEB Cc1cc(C)cc(/N=C\c2ccc(/C=N\c3cc(C)cc(C)c3)cc2)c1 101376529 VVEYLYLOEXZSFK-YXHOTNNGSA-N 340.470 6.421 30 40 EKEB N#Cc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1 409195583 WOMZYVOQKUYSIN-UHFFFAOYSA-N 342.423 5.414 30 40 EKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1C 409211248 IITFKIHMAKBNGJ-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC 4426724 SBRJFDJPIAPOCA-WZYRSQIMSA-N 335.491 5.186 30 40 EKEB N#Cc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 4524474 QCISJVRAOZUHPQ-FQEVSTJZSA-N 344.439 5.030 30 40 EKEB CCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C 104071988 VVRNJCGHGNEDAV-UHFFFAOYSA-N 328.561 5.327 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccnc1 409079626 LHTFJKAFQXEEKK-ZMOGYAJESA-N 332.447 5.006 30 40 EKEB O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1cccc(O)c1 12766129 IQBREVGZOLXSTI-CMDGGOBGSA-N 341.819 5.065 30 40 EKEB Brc1cccc2c(/C=N/Nc3ccccc3)cccc12 13402732 CKTPAHXEVYCZCQ-XDHOZWIPSA-N 325.209 5.048 30 40 EKEB Cc1ccccc1/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C 408967039 PIGHTNFLWVHXPW-MYYYXRDXSA-N 339.442 5.701 30 40 EKEB O/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409049437 WVWTVEUAFWKNAO-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB COc1ccc(/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 409202296 QWNYZTNGKXZIAB-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(F)c3)c2C#N)C1 409208635 DBTUSGQRFZYLDT-GKGMIHAQSA-N 340.467 5.660 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1C 409212641 REGKKBZJPYBADW-ZVHZXABRSA-N 349.861 6.286 30 40 EKEB CC1(C)CC(=O)C=C(Nc2ccc(Oc3ccccc3Cl)cc2)C1 479230 ZAGDRXDHTIYXLF-UHFFFAOYSA-N 341.838 5.817 30 40 EKEB CCCCCCCCCCOc1ccc(C2=CC[C@@H](C)CC2)cc1 3167998 LLRNSSXXDNHIFJ-HXUWFJFHSA-N 328.540 7.410 30 40 EKEB O=C(/C=C/c1cccc(Cl)c1)c1ccccc1OCc1ccccc1 5279095 CBESVJMWDYYCIO-BUHFOSPRSA-N 348.829 5.815 30 40 EKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccs4)cc3)sc2c1 12482099 SBVBFJXAIORWIK-UDWIEESQSA-N 334.469 6.084 30 40 EKEB O/N=C1\C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 16932386 DKBTVOCXPDAIGZ-LMGXPQKSSA-N 339.438 5.872 30 40 EKEB CCCCCCCCn1c(COc2ccccc2)nc2ccccc21 50860296 RUIAHZDXGXRIAC-UHFFFAOYSA-N 336.479 5.976 30 40 EKEB C=CCOC(=O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 216795682 FEURAGSUEUSOFR-UHFFFAOYSA-N 348.185 5.144 30 40 EKEB C[C@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C#N)C1 570351 VFVWBOJOBFISTR-ZDUSSCGKSA-N 346.455 5.150 30 40 EKEB CCCCCn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21 2282379 LXZRYOFATHEESA-HZHRSRAPSA-N 330.435 5.458 30 40 EKEB Cc1cc([N+](=O)[O-])ccc1/N=C/C(Br)=C/c1ccccc1 4985300 DRKBBOMRKFRLRB-FJYMYNMMSA-N 345.196 5.042 30 40 EKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)c2ccccc2)o1 6034115 SCOYLYUYPCJJLJ-PKNBQFBNSA-N 333.343 5.059 30 40 EKEB C/C(=N\OC(=O)Nc1cccc(Cl)c1)c1ccccc1N=[N+]=[N-] 15022672 SJXLVDZEJPGPRR-KEBDBYFISA-N 329.747 5.255 30 40 EKEB CCCCCCCCCCCCCC[C@H](O)CNCc1ccccc1 43285364 LEFGFOMCEHIGII-QHCPKHFHSA-N 347.587 6.228 30 40 EKEB CCCCCCCCCCCCOc1ccc(/C=C/C(=O)O)cc1 43411707 ROHQNWKGFWNNJX-SAPNQHFASA-N 332.484 6.084 30 40 EKEB O=C(Oc1ccc(/N=C/c2cccs2)cc1)c1ccccc1Cl 100389880 ZUKREPGZOPBTAB-UDWIEESQSA-N 341.819 5.371 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 219798016 GTSPYAPJHVEKMK-UHFFFAOYSA-N 338.259 5.524 30 40 EKEB S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc2ccccc12 254382275 WTNOMLFKTQRQHC-UHFFFAOYSA-N 336.464 5.024 30 40 EKEB CCCCCCCCCCCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 408731111 JAHAXJRKBAOGGN-KNQAVFIVSA-N 335.576 6.335 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1C 409208453 FZPIEMPTKZNYSF-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB O=C(/C=C/Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 508209 GEPCXTSGARUNCI-MDZDMXLPSA-N 325.717 5.167 30 40 EKEB CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 3208157 IHWUFPHTPBMTKJ-KTMXNEEYSA-N 338.234 5.669 30 40 EKEB O=C1C(O)=C(CC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 4552444 ZNPDNWVMVQPDRC-OWCLPIDISA-N 338.447 5.264 30 40 EKEB CCCC[S+](CCCC)CC(=O)c1ccc(-c2ccccc2)cc1 4916263 OINCQGXWZDGFNC-UHFFFAOYSA-N 341.540 5.755 30 40 EKEB N#Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 12913079 VIZILLUQAXWJLP-UHFFFAOYSA-N 347.226 5.332 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C 409115384 RMMVKMCAVBBHOC-UHFFFAOYSA-N 336.262 5.787 30 40 EKEB C=CCn1c(SCc2ncc(-c3ccccc3)o2)nc2ccccc21 5619048 WNVHTUMHPLUHLI-UHFFFAOYSA-N 347.443 5.170 30 40 EKEB O=C1/C(=C\Nc2ccc(F)cc2)[C@@H](c2ccccc2)c2cccc(F)c21 100417104 JYUPBYGTDSQHTH-LVSKKATPSA-N 347.364 5.289 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 223526701 RBIUZJVNWUWLET-AJIWAEEYSA-N 335.495 5.225 30 40 EKEB Cc1ccc(C)c(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408961859 OSLUZYDMMUHOOO-UUYOSTAYSA-N 333.387 5.321 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 409208394 FSCDPNMYZLAPIJ-IWIPYMOSSA-N 349.861 6.232 30 40 EKEB C/C(=N\c1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(Cl)s1 483635 QLSGFRJGWWXOSY-XHYWODOQSA-N 334.897 5.600 30 40 EKEB CC1C/C(=C/C=C(Cl)Cl)C(=O)/C(=C\C=C(Cl)Cl)C1 4532438 CXFOTIILHCAQPU-ASSCROQFSA-N 326.050 5.476 30 40 EKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 5123991 YRVXLZXCGBCIDL-ZZEZOPTASA-N 326.852 5.288 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(F)cc3)c2)c1 8368246 PREVYRMEOLIGAW-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB CCCCCCCCCCP(=O)(O)CCCCCCCCCC 59617527 HPGNDWLQFVMVSL-UHFFFAOYSA-N 346.536 7.538 30 40 EKEB CCCCCCCCCCCCCCCCCc1cccc(O)c1O 64633652 DXRKLUVKXMAMOV-UHFFFAOYSA-N 348.571 7.512 30 40 EKEB biogenic,in-vitro C=CCn1c(-c2ccccc2)cs/c1=N/c1cccc(Cl)c1 102962636 GXYKMHNLPDAWQE-CZIZESTLSA-N 326.852 5.288 30 40 EKEB Cc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1Cl 409019711 KHFROGPAHAIMGR-IWIPYMOSSA-N 344.845 6.343 30 40 EKEB CCOC(=O)c1c(/N=C/c2ccccc2)sc(C)c1-c1ccccc1 3315208 WTGHJDSQHZXAQY-HYARGMPZSA-N 349.455 5.651 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OCC 6880682 NYSAULOQGCWEGE-FYJGNVAPSA-N 331.843 5.587 30 40 EKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl 8368497 VRSHFWXRPFXIDU-SRZZPIQSSA-N 332.230 5.373 30 40 EKEB CCc1cccc(C)c1N/C=C/C(=O)c1ccc(Br)cc1 9553490 LDKAHSYEUXKMLL-VAWYXSNFSA-N 344.252 5.128 30 40 EKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 13897971 HLLIJGAEGDAOMP-UFFVCSGVSA-N 347.365 5.275 30 40 EKEB O=C(/C=C1/Sc2ccccc2N1Cc1ccccc1)c1ccco1 17201442 GMPZBJTZADOUKG-DEDYPNTBSA-N 333.412 5.116 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3C)cc1)C2 59501491 DBNNCHHCCRWIMV-AFUMVMLFSA-N 340.470 5.883 30 40 EKEB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(C#N)cc3)C2=C(O)C1 102437849 UMGJYIJYKBZCFZ-OAQYLSRUSA-N 343.430 5.430 30 40 EKEB CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 408605206 XNMVUFWLXLSLQW-CRRPLPBISA-N 338.476 5.426 30 40 EKEB CCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccccc1 408915982 SQXWXSOENJXMLK-HOOMGSECSA-N 336.460 5.009 30 40 EKEB COc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 408955056 VQDSFRHSCZSFRL-KQWNVCNZSA-N 326.399 5.390 30 40 EKEB Cc1sc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C#N)c1C 4570311 QSDQYWUIIMXVMY-UHFFFAOYSA-N 348.427 5.281 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OC 8111077 ZLCGLOXSBJNFKZ-UHFFFAOYSA-N 338.234 5.179 30 40 EKEB C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)c1 219793249 FKRXOUVNKJDKLR-NRFANRHFSA-N 337.463 5.139 30 40 EKEB CC(C)(C)[C@H]1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1 253390297 RIBSESIBPDNOEQ-OEYDXYMWSA-N 342.529 6.302 30 40 EKEB COc1cccc2c(/C=N/c3ccccc3F)c(-c3ccccc3)[nH]c12 408843903 OAVONPZOKYWZNO-ZVHZXABRSA-N 344.389 5.733 30 40 EKEB C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 238001 GFHCICQYWYWORY-JJIBRWJFSA-N 337.426 5.158 30 40 EKEB CCc1cc2c(cc1C(=O)/C=C/c1ccco1)C(C)(C)CCC2(C)C 4276697 OKDHXUOQHVDJJL-MDZDMXLPSA-N 336.475 6.087 30 40 EKEB O=C(/C(=C\c1cccc(Cl)c1)c1ccccc1)c1ccc(O)cc1 8642530 DRMUAKFZNBEHNS-ZHZULCJRSA-N 334.802 5.469 30 40 EKEB CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 71976888 OGQZFFYFOYFNFD-SFQUDFHCSA-N 342.438 5.724 30 40 EKEB CCCCCCCCCCCCCCCCNCCC(=O)NC 100016103 NAXWZCDEZZAOBH-UHFFFAOYSA-N 326.569 5.193 30 40 EKEB CCOC=Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccccc1 245240990 WCZDAVCCBYZRSX-UHFFFAOYSA-N 349.821 5.366 30 40 EKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1cccc2ccccc12 408588846 JZQFDFGQVPFENT-LFVJCYFKSA-N 339.442 5.693 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3F)c2C#N)C1 409217285 OQOXYWQXWKJORY-GKGMIHAQSA-N 340.467 5.660 30 40 EKEB CCOc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 66122 GFYWRJXJLZCAEN-VCHYOVAHSA-N 338.632 5.252 30 40 EKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(F)c(Cl)c1 6571367 GMMORFOCWHOWOM-SSDVNMTOSA-N 334.797 5.277 30 40 EKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1 6961535 JVPSRYXQYJMAPP-LFVJCYFKSA-N 345.442 5.723 30 40 EKEB N#Cc1cc(Br)ccc1OCc1cccc2ccccc12 11863494 RHPHQFWORVCHHG-UHFFFAOYSA-N 338.204 5.053 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC 409119734 QCMDNZSUWJNQOT-UHFFFAOYSA-N 331.843 5.224 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 409218457 VHQOAPUKZYPYFJ-IWIPYMOSSA-N 333.406 5.718 30 40 EKEB Cc1ccc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(C)cc2)cc1 572104 BFBCHNAQLMDKSO-UHFFFAOYSA-N 340.382 5.631 30 40 EKEB CCCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 2057650 BCLXIHFGTJFMOG-UHFFFAOYSA-N 330.299 6.463 30 40 EKEB Cc1ccc(N2C(=O)ON(c3ccccc3)[C@H]2c2ccccc2)cc1 4946174 QMWNNXHRCDBXTL-FQEVSTJZSA-N 330.387 5.072 30 40 EKEB CC1(C)C(=O)/C(=C\O)C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12 118934817 VNXWQBNQVCQUSW-SVHSUXPPSA-N 330.512 5.676 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 219815905 VANPPXWRFRLKCO-IBGZPJMESA-N 339.504 5.482 30 40 EKEB CC[C@@H](C)Nc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n12 12693282 XCZTUZVIGTYZGL-OAHLLOKOSA-N 348.494 5.467 30 40 EKEB O=C1/C(=C\Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)c2ccccc21 100333110 LKNXYTPIERDUPP-URBQWANRSA-N 345.829 5.664 30 40 EKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCl 245241017 WJYFACPYOCRQPX-WMKCGOMXSA-N 334.931 5.350 30 40 EKEB N#Cc1c(F)c(F)c(Nc2c(Cl)cccc2Cl)c(F)c1F 2203905 IOEBNSARWSBREY-UHFFFAOYSA-N 335.087 5.165 30 40 EKEB C=CCOc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 2886954 CDTWBVSPZAHAMR-UHFFFAOYSA-N 336.387 5.075 30 40 EKEB O=C1C(O)=C(CC[C@H]2CC[C@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 4552446 ZNPDNWVMVQPDRC-BZUAXINKSA-N 338.447 5.264 30 40 EKEB CCCCCCCCCCCCCCCCOC[C@@H](CO)OC 8860482 XAWCMDFDFNRKGK-HXUWFJFHSA-N 330.553 5.492 30 40 EKEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(F)c1 18324166 GJTZADUOTNUIOV-FQEVSTJZSA-N 336.410 5.048 30 40 EKEB Oc1ccc2ccccc2c1/C=N/c1ccc(F)c(C(F)(F)F)c1 39379105 HTCDZDOHEUZFIE-AUEPDCJTSA-N 333.284 5.454 30 40 EKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\Nc1nc(-c3cccs3)cs1)C2 102447974 ODZLJGDWICDQIS-WMZGWQMHSA-N 331.510 5.486 30 40 EKEB Cc1ccccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408939772 UIIXXYMDRHFMCW-QRVIBDJDSA-N 328.337 5.555 30 40 EKEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966985 OPLRQTSYZIIBDL-IWIPYMOSSA-N 346.474 5.848 30 40 EKEB Cc1c(C(=O)Nc2ccc(C#N)cc2)oc2c1ccc1ccccc12 3398962 ANDDTODTQBEIQX-UHFFFAOYSA-N 326.355 5.018 30 40 EKEB CC(C)(C)n1cnc2cc(/N=C/c3cccc4ccccc34)ccc21 4550095 IWLQYTWCVYRRQE-OEAKJJBVSA-N 327.431 5.695 30 40 EKEB Cc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 223596756 YZNYSSKBXHUTDV-QVWJKXSPSA-N 348.534 6.555 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(F)cc3)cc1)C2 408733763 QBNXHQCVLVUZDX-DHRITJCHSA-N 344.433 5.713 30 40 EKEB C(=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1ccco1 3961030 VZJSPNXOUPOFCW-KGENOOAVSA-N 345.427 5.516 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(O)cc3)cc1)C2 5798758 ILAQWSCXMRDYHW-ZMOGYAJESA-N 342.442 5.280 30 40 EKEB O=C(Nc1ccccc1)O/N=C/c1c2ccccc2cc2ccccc12 5900941 OPBDNJZMGYSUSH-HZHRSRAPSA-N 340.382 5.576 30 40 EKEB O=C(Nc1cccc(Cl)c1)[C@@H]1CCC/C1=N\c1cccc(Cl)c1 17381157 AGXFOJPZNKUIGM-WFOVFMPGSA-N 347.245 5.505 30 40 EKEB C=C[C@@H](C)Oc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C 26509993 IOPAAAMLOWSFGO-CQSZACIVSA-N 328.452 5.486 30 40 EKEB Cc1ccc(C(C)C)c(O)c1/N=C/c1cc(Br)ccc1O 104372145 MSASHQFQKVQVFT-DJKKODMXSA-N 348.240 5.043 30 40 EKEB CCCCCCCCCCCCCCCCCC(=O)NC(N)=S 104380830 IAWUVUIVBMLRJY-UHFFFAOYSA-N 342.593 5.608 30 40 EKEB CCCCCCCCCCC(=O)Nc1c(Cl)cccc1Cl 2748910 OFJDUGJRKMXDSC-UHFFFAOYSA-N 330.299 6.463 30 40 EKEB Brc1cccc(/C=N/c2ccccc2N2CCCCC2)c1 3239251 JTCBEVOEWNUCRY-XSFVSMFZSA-N 343.268 5.190 30 40 EKEB Cc1cc(C(F)(F)F)c(C#N)c(Oc2ccc3ccccc3c2)n1 4052749 PBDDZWTZNNSLLY-UHFFFAOYSA-N 328.293 5.226 30 40 EKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 8570909 QTWWZRQGVZSOKR-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB Clc1ccc(-c2csc(NN=C3CCCC3)n2)c(Cl)c1 15224796 LJDWNJHXJAENBL-UHFFFAOYSA-N 326.252 5.459 30 40 EKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 100366540 TUJJWYOKPXUKQT-XQNSMLJCSA-N 331.415 5.415 30 40 EKEB CCCCCCCNCc1cc(Cl)c(OCC)c(OCC)c1 102566586 HPXFTHIWEUNGPV-UHFFFAOYSA-N 327.896 5.197 30 40 EKEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(CC)cc1 222648821 JBMUJBDFVIAQAG-HNNXBMFYSA-N 325.477 5.018 30 40 EKEB N#Cc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 5930974 NLLVASDZGAYEGM-AATRIKPKSA-N 341.197 5.289 30 40 EKEB O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)c(Cl)c1Cl 7141239 GYQUQIRMIFZSSC-QPJJXVBHSA-N 329.585 5.682 30 40 EKEB CCCCCCC[C@H](/C=C/CCC[C@@H](C)O)c1ccccc1C(=O)O 100443343 KOHQFPCNYVFNDE-PDQLOIDKSA-N 346.511 5.936 30 40 EKEB Fc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 408847318 TWJRIMSHJONUOO-UDWIEESQSA-N 343.199 5.130 30 40 EKEB CCOc1cc2c(cc1/C=N\c1ccc(-c3ccccc3)cc1)OCO2 409095709 IJLBMYMKADUYDK-UCQKPKSFSA-N 345.398 5.232 30 40 EKEB CCCOc1ccc2ccccc2c1/C=C1/Sc2ccccc2C1=O 409317336 PAUYWMSDEVRNNX-KGENOOAVSA-N 346.451 5.958 30 40 EKEB FC(F)(F)C(F)(F)C(F)(F)CCCSCc1ccccc1 1565682262 AFJANHIZVHMQGZ-UHFFFAOYSA-N 334.300 5.533 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)c(C)c1 8368767 CBYUCFSIPNBVLL-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB COc1ccc(C(=O)/C=C\c2c3ccccc3cc3ccccc23)cc1 33374027 DEGUZIIIXRXDKA-PFONDFGASA-N 338.406 5.898 30 40 EKEB O=C(/C(=C/c1ccncc1)c1ccc2ccccc2n1)c1ccccc1 5572002 XRNGPCIQCFFDAB-CAPFRKAQSA-N 336.394 5.053 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 8085108 ZTJYTDYTFIOKNP-BUVRLJJBSA-N 349.861 6.232 30 40 EKEB Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2C#N)cc1 12461945 CDMVYVCNWJHJGB-UHFFFAOYSA-N 342.442 5.187 30 40 EKEB C=CCc1cc(/C=N/c2cc(Cl)ccc2C)cc(OCC)c1O 59248870 YXIWSLQWBWZXBT-CIAFOILYSA-N 329.827 5.232 30 40 EKEB CCCCCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 97941866 WDFUZKFMBFYBGN-FQEVSTJZSA-N 341.520 5.607 30 40 EKEB CCCCCCCOc1ccc(C(=O)CCCCCCC(=O)O)cc1 100329056 BTYQSVLJBQIKKW-UHFFFAOYSA-N 348.483 5.644 30 40 EKEB CCOc1ccc2ccc(OCC)c(/C=N\Nc3ccccc3)c2c1 409008274 UYAKBFMKRISNRF-JCMHNJIXSA-N 334.419 5.083 30 40 EKEB Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1C 409213946 UOGMLNIOPQMBKA-OYKKKHCWSA-N 333.406 5.772 30 40 EKEB F/C(=C/CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330524 SVNSBMNCCQAJBL-HNQUOIGGSA-N 346.086 5.260 30 40 EKEB COc1ccc2ccccc2c1/C=N/c1cc(Cl)cc(Cl)c1 66016 QIMWPIHKVNMLCB-SRZZPIQSSA-N 330.214 5.906 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 277665 NGJYVAGACHFEDB-FYJGNVAPSA-N 333.391 5.061 30 40 EKEB C(=N/Nc1nncc2ccccc12)\c1c2ccccc2cc2ccccc12 5704934 ZYSBGHPLRMLPBN-MFKUBSTISA-N 348.409 5.382 30 40 EKEB O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 5808891 ZTDSULGAVOXOLC-POHAHGRESA-N 327.210 6.043 30 40 EKEB COc1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 100369570 MAAVEPURPZSUJS-OEAKJJBVSA-N 332.447 5.470 30 40 EKEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 409099471 STKIPBINSROMTE-UHFFFAOYSA-N 341.867 5.174 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C 6941638 WJDGUHRPPLAZHN-UDWIEESQSA-N 346.268 5.605 30 40 EKEB N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 27499254 AKZIBHBZJUMNBD-CFZJUORYSA-N 341.241 5.692 30 40 EKEB C/C(=N/NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 33698850 PCMZJOWELXDYSV-KQWNVCNZSA-N 345.471 5.064 30 40 EKEB C/C(=N/Nc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 35396468 JZVCKDGFQVHYHD-HAHDFKILSA-N 343.455 5.799 30 40 EKEB C/C(=N\OC(=O)c1ccc(C)cc1)c1ccc2c(c1)Cc1ccccc1-2 36644277 UTXJUGFWOOJOBB-LFVJCYFKSA-N 341.410 5.147 30 40 EKEB C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1cccc(C#N)c1)C1CC1 59578189 NXMHCYYYZWMZEG-AWEZNQCLSA-N 344.380 5.303 30 40 EKEB CCn1c2ccccc2c2ccc(/N=C\c3ccccc3[N+](=O)[O-])cc21 104201780 XJXKYJZMBUHFHM-HMAPJEAMSA-N 343.386 5.473 30 40 EKEB CC(C)[C@@H]1CC[C@H](C)/C(=C/C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 253618204 CDLMGTMYJCSWTE-SNLVCNPISA-N 330.512 5.382 30 40 EKEB Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 409097740 NYFWXQPBKPURJA-FYJGNVAPSA-N 348.358 5.152 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3cc(C)ccc3C)c2)cc1 409201451 NAIKMBWSJALFOP-IWIPYMOSSA-N 329.443 5.941 30 40 EKEB C=CCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 536792 WFEGQVNWSZCAEY-UHFFFAOYSA-N 342.446 5.130 30 40 EKEB Cc1ccc(C)c(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1 6281674 BUVZQIMOVVUFHI-ZVBGSRNCSA-N 326.749 5.422 30 40 EKEB CCCCCCCCCC/C=C\c1c(C)[nH]c2ccccc2c1=O 100302059 NYSUEMTXPNTMPW-QINSGFPZSA-N 325.496 6.381 30 40 EKEB CCCc1sc(N/N=C/c2ccc(C)o2)nc1-c1ccc(C)cc1 408755699 MFCBFHGVYFYUKS-UDWIEESQSA-N 339.464 5.418 30 40 EKEB Cc1c(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc2n1C 408812019 MMTNPHHAUPIJSM-WSDLNYQXSA-N 333.460 5.049 30 40 EKEB C(=N/Nc1nc2ccccc2s1)\c1cccc(Oc2ccccc2)c1 3909689 UHEFCPUYMNTBLP-KGENOOAVSA-N 345.427 5.535 30 40 EKEB C/C(=N/N=C(/C)c1cccc2ccccc12)c1cccc2ccccc12 4154618 PCMMCSZMSVAZSC-MFYXSQMNSA-N 336.438 6.226 30 40 EKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 13633459 YXZYTBXYZJFHED-OEAKJJBVSA-N 330.431 5.356 30 40 EKEB C1=C(c2ccccc2)/C(=N/c2ccccc2)S/C1=N/c1ccccc1 18252053 ABFGFXFRBPRUDO-CFPQKXLCSA-N 340.451 6.277 30 40 EKEB C=C[C@H](C)Oc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C 26509989 IOPAAAMLOWSFGO-AWEZNQCLSA-N 328.452 5.486 30 40 EKEB CCCCCCCCCCCC(=O)OCCOCCOCCCC 100302697 QDESPZSPZRTZKR-UHFFFAOYSA-N 344.536 5.284 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408775087 YVBDKTCAVWODJW-MXJLDLDKSA-N 330.475 6.358 30 40 EKEB C=CCCCCCCCCCNc1cc2c3c(c1)CCCN3CCC2 5160601 PKWOBGQCQVIFTJ-UHFFFAOYSA-N 340.555 6.104 30 40 EKEB Cc1ccc(CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 12648597 CFAKSSOXORPEDS-UHFFFAOYSA-N 343.455 5.268 30 40 EKEB CCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1 95669520 ANZWOARUBDXLMN-UHFFFAOYSA-N 340.529 5.787 30 40 EKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cc(Cl)ccc2Cl)C1 408563905 SBKXBYWZNDIOSN-XZHRJIJLSA-N 340.294 6.095 30 40 EKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OC 409111547 JGUMOYKXNGVKBD-UHFFFAOYSA-N 331.843 5.006 30 40 EKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(Cl)cc2C)c1 218874 OIUYDGKOGBUKRF-QGMBQPNBSA-N 338.632 5.176 30 40 EKEB Clc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1 502613 QWQGCGZYKPPYHC-LPYMAVHISA-N 331.806 5.634 30 40 EKEB CCCCCCCCCCCCCC[C@@]1(C(=O)O)CCOC1=O 100305576 RLHURWOUQQIVPI-IBGZPJMESA-N 326.477 5.096 30 40 EKEB CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409109175 ZDFZVQZPWJIYAY-LGVXEURYSA-N 346.430 5.440 30 40 EKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 540481 DEXCYDLSFLLKJH-BOPFTXTBSA-N 326.417 5.018 30 40 EKEB C=CCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 3127767 OFYVUKFZNJBUAX-UHFFFAOYSA-N 328.283 6.239 30 40 EKEB N#Cc1c(/N=C/c2ccccc2C(F)(F)F)sc2c1CCCCC2 3229246 MQZJENSTJSLXPX-FOKLQQMPSA-N 348.393 5.658 30 40 EKEB CCCSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N 3637014 PZASPCZHQMLFBE-UHFFFAOYSA-N 336.382 5.450 30 40 EKEB Clc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 3897831 UYHZYEPUVNIGGO-CNHKJKLMSA-N 334.033 5.746 30 40 EKEB O=[N+]([O-])c1ccc(N/N=C(/N=N/c2ccccc2)c2ccccc2)cc1 17024311 GDFUXTMRKPSXDG-BVGCCWJSSA-N 345.362 5.152 30 40 EKEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 408739016 RJTSXRPCNQNKMM-OEAKJJBVSA-N 330.431 5.356 30 40 EKEB Cc1cc(/N=C\c2cc(C)n(-c3ccccc3)c2C)cc([N+](=O)[O-])c1C 408786575 SMEHBSGBKBESKD-XKZIYDEJSA-N 347.418 5.370 30 40 EKEB Oc1c(/C=N/c2ccc(Nc3ccccc3)cc2)ccc2ccccc12 409182096 IUHQQQNUTRIZBU-LFVJCYFKSA-N 338.410 6.040 30 40 EKEB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)Cc2ccccc21 409368137 TZNWAJOSBVYIGB-HMMYKYKNSA-N 349.433 5.512 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)c2ccc(C)cc2n1)c1ccco1 585079855 GYMFVUGWYVZUNE-BUVRLJJBSA-N 342.402 5.034 30 40 EKEB C(=N/Nc1ccc2ccccc2c1)\c1c2ccccc2cc2ccccc12 4598743 YLNWSFWJENUHPX-YZSQISJMSA-N 346.433 6.592 30 40 EKEB C=CCN(C(C)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 5480881 UTLXKDFEFJLNQM-UHFFFAOYSA-N 340.492 5.397 30 40 EKEB CCCCCCCCCCC[C@H](O)CC(=O)OCc1ccccc1 100252993 NRNRXBHTCKDUNQ-FQEVSTJZSA-N 334.500 5.402 30 40 EKEB CCCCCCCCCCn1c(CCCCC)nc2ccccc21 100863888 XFXFQTHAFGRIOT-UHFFFAOYSA-N 328.544 6.910 30 40 EKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OC 409122509 YYFLOMVZPWGSLZ-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB Clc1ccc(/C=N/Nc2ccc(Br)cc2)c(Cl)c1 4017778 FIVMQCFHPILTHZ-CAOOACKPSA-N 344.039 5.202 30 40 EKEB N#Cc1c(-c2cccs2)cc(-c2cccc(Cl)c2)[nH]c1=S 5568791 AYFGHBUOMXPOMG-UHFFFAOYSA-N 328.849 5.665 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br 6941721 QWVKYZNBQGSBEK-DEDYPNTBSA-N 346.268 5.551 30 40 EKEB Clc1cccc(Cl)c1CN/N=C/c1cccc2ccccc12 9196218 XHKGPXATTWUEKD-SRZZPIQSSA-N 329.230 5.270 30 40 EKEB CCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 17125644 SFMBWKWAPIJOAS-XDHOZWIPSA-N 342.489 5.645 30 40 EKEB CCCCCCCC(=O)OCCCCOC(=O)CCCCCCC 100295348 JYJAMZPYEGWUDM-UHFFFAOYSA-N 342.520 5.574 30 40 EKEB Oc1ccc2ccccc2c1[C@@H](/N=C\c1ccccc1)c1ccccc1 100520875 IBKFPODMQLEYRC-FDJRJZQMSA-N 337.422 5.754 30 40 EKEB CC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 100563074 YXZYTBXYZJFHED-UCQKPKSFSA-N 330.431 5.356 30 40 EKEB Cc1cc2c(cc1C)-c1nc3ccccc3cc1/C2=N/C1CCCCC1 100674360 ZPZFSFCFBASIQK-WJTDDFOZSA-N 340.470 6.002 30 40 EKEB COc1ccccc1/N=C\c1ccc(/C=N\c2ccccc2OC)cc1 101376878 OEGWMDQYYLHJLF-MPKYGIEOSA-N 344.414 5.205 30 40 EKEB C=CCn1c(C)c(/C=N/c2sc(C)c(C)c2C#N)c2ccccc21 408806392 APRSSDBUHOOPIE-WSDLNYQXSA-N 333.460 5.436 30 40 EKEB COc1ccc(/C=N/c2cccc(Cl)c2C)cc1Br 409200937 KNFHSRQGYIDBHR-GIJQJNRQSA-N 338.632 5.170 30 40 EKEB N#Cc1c(SCc2ccccc2)nc2c(c1[C@@H]1CC=CCC1)CCC2 32618 DNYHNLNNZHCLDN-QGZVFWFLSA-N 346.499 5.558 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 3897912 MGTSFUGVJYPJBE-OVCLIPMQSA-N 334.802 6.028 30 40 EKEB biogenic Cc1cc(C)cc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3)c2C)c1 4738838 OVZQUWZTCZMLHN-LPYMAVHISA-N 347.418 5.370 30 40 EKEB FC(F)(F)c1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 4920925 HQKZGUCYPKFXNC-DNTJNYDQSA-N 333.140 5.458 30 40 EKEB c1ccc(CSC2=Nc3ccccc3/C2=N/Nc2ccccc2)cc1 100058930 PPKULIMWVFVQOH-GFMRDNFCSA-N 343.455 5.480 30 40 EKEB C=CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br 409209481 FSKINIRVTGWTQB-UDWIEESQSA-N 344.252 5.381 30 40 EKEB Cc1ccc(-c2ccc(/C=N/c3ccccc3)o2)c(Br)c1 409251801 WHSYOVMDEIJRAN-UDWIEESQSA-N 340.220 5.768 30 40 EKEB CC1(C)CC(=O)C2=C(C1)N[C@@H](c1ccccc1)C=C2c1ccccc1 585145583 RUVDWWJBUMIWJU-LJQANCHMSA-N 329.443 5.058 30 40 EKEB Cc1[nH]c2ccccc2c1/C=N/Nc1cc(C)c2cccc(C)c2n1 5006909 SXGQZSYKRHKBII-WSDLNYQXSA-N 328.419 5.087 30 40 EKEB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 5722798 JTRQEDPFEOMATD-HMMYKYKNSA-N 329.355 5.018 30 40 EKEB Clc1cccc(-c2ccc(/C=N/Nc3ccccc3)o2)c1Cl 113860575 PTEFCKBYIACNOA-RGVLZGJSSA-N 331.202 5.699 30 40 EKEB COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3O)c2c1 408782353 HUQQOVZMAKKQHD-OEAKJJBVSA-N 342.398 5.300 30 40 EKEB CCCCC[C@H](CN(C)C)C(=O)/C=C/c1ccc(Cl)cc1Cl 1727175 CPWGZKHMPCLWFI-SLZMIMFISA-N 342.310 5.334 30 40 EKEB Oc1ccc(Cl)cc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1 3148433 WFPCTJRDDNAPMI-ODCIPOBUSA-N 347.695 5.033 30 40 EKEB c1ccc2c(c1)Cc1ccc(N=C3c4ccccc4-c4ccccc43)cc1-2 3663260 MYTDLWMPGXKVRD-UHFFFAOYSA-N 343.429 6.407 30 40 EKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 5280543 ZTDSULGAVOXOLC-UXBLZVDNSA-N 327.210 6.043 30 40 EKEB COc1ccccc1/C=C/C=N/Nc1ccnc2cc(Cl)ccc12 6320171 FHMMMQOAIDPDDP-NPRCLHSNSA-N 337.810 5.008 30 40 EKEB Cc1ccc(SCCCC(=O)Nc2sc(C)c(C)c2C#N)cc1 10217937 SIGIOXALIDLDTE-UHFFFAOYSA-N 344.505 5.056 30 40 EKEB Clc1cccc(Cl)c1/C=N/OCc1cccc2ccccc12 12613661 WKRUHLJTSVLZHA-SRZZPIQSSA-N 330.214 5.697 30 40 EKEB CCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1C 104143894 XZUCNUIKUVGULK-UHFFFAOYSA-N 332.532 6.346 30 40 EKEB C=CCn1c(SCc2cccc3ccccc23)nnc1-c1ccco1 531831 IZSKYADJNOEACP-UHFFFAOYSA-N 347.443 5.170 30 40 EKEB Fc1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)cc1 408820108 TZXOPZYMYWYKRE-ZVHZXABRSA-N 343.405 5.275 30 40 EKEB Cc1cc(C)cc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)c1 556271 YMXFRYYNHQJXON-UHFFFAOYSA-N 345.446 5.220 30 40 EKEB N#Cc1c(-c2ccc(Cl)c(Cl)c2)c2c([nH]c1=S)CCCC2 5749649 CLYISEUQCCSLIJ-UHFFFAOYSA-N 335.259 5.468 30 40 EKEB C[C@H]1CCCC[C@@H]1/N=C(/S)Nc1ccc(SC(F)F)cc1 13479382 ORCDWZCHRCYHIM-GWCFXTLKSA-N 330.469 5.278 30 40 EKEB CCCCCCCCCCCCCCCCCCC(CO)CO 43683172 HUHIKZFEXLRXRB-UHFFFAOYSA-N 328.581 6.239 30 40 EKEB C/C(=N\c1ccc(C)cc1)N(C(=O)c1ccccc1)c1ccc(C)cc1 101547995 HPTXNYJPSGRRBK-LYBHJNIJSA-N 342.442 5.700 30 40 EKEB COc1ccc(Cl)cc1/N=C\c1ccc(N2CCCCC2)cc1 101768499 DBTHGUPVWYKBHG-STZFKDTASA-N 328.843 5.090 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 106897510 KOOBEDRJGWSGJM-PKNBQFBNSA-N 347.370 5.368 30 40 EKEB CCCCc1ccc(N/C=C2\C[C@@H](C(C)(C)CC)CCC2=O)cc1 408563062 ICWJTYYSBBXWTB-YMIFCHIISA-N 327.512 6.130 30 40 EKEB CCN(CC)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1 408854885 KHTHTOSBOJGIEC-NKFKGCMQSA-N 335.495 5.274 30 40 EKEB COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)c(OC)c1 8115050 AEJMOYACODQTEF-PXLXIMEGSA-N 333.387 5.247 30 40 EKEB C1=C(c2ccccc2)/C(=N/c2ccccc2)S/C1=N\c1ccccc1 18067363 ABFGFXFRBPRUDO-SXAUZNKPSA-N 340.451 6.277 30 40 EKEB c1ccc(-c2nc(NN=C3CCCC3)sc2-c2ccccc2)cc1 59475116 XSMCOUXKBBUKRF-UHFFFAOYSA-N 333.460 5.819 30 40 EKEB Oc1ccc2ccccc2c1/C=N\N=C1c2ccccc2-c2ccccc21 16921084 BOBDOSQGFIXBCS-MYYYXRDXSA-N 348.405 5.397 30 40 EKEB Brc1ccccc1/N=C/c1ccc(-c2ccccc2)cc1 102957955 GLXDLHUYWGMJHU-KGENOOAVSA-N 336.232 5.867 30 40 EKEB C=CCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 216792428 XNHKFCDCYCRGCX-UHFFFAOYSA-N 348.185 5.144 30 40 EKEB Cc1ccc(-n2cccc2/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl 409012653 RCPMIJGHHGIRNG-NDENLUEZSA-N 339.782 5.098 30 40 EKEB Cc1ccc(Sc2ccc(/C=N\c3ccc(C)cc3C)cc2)cc1 409247660 FJSWKVZSDASWGT-HAHDFKILSA-N 331.484 6.514 30 40 EKEB C[C@H]1CCc2c(sc(/N=C/c3c(O)ccc4ccccc34)c2C#N)C1 411693 IAAYVNIHBPAWPZ-ZXCVBSDHSA-N 346.455 5.354 30 40 EKEB N#CN=C(Sc1ccccc1Cl)Sc1ccccc1Cl 4290441 NBUKONDUDADQOV-UHFFFAOYSA-N 339.272 5.715 30 40 EKEB CSc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 5785701 TVJVMQFEXAKJRZ-QGMBQPNBSA-N 345.682 5.815 30 40 EKEB CCOc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2)cc1 17023389 ZBRWMEBYLZZJJU-XQNSMLJCSA-N 345.398 5.055 30 40 EKEB Cc1nc(CC#N)sc1/N=N/c1c(Cl)cc(Cl)cc1Cl 3849315 LJYOMWZHEPDZOI-VHEBQXMUSA-N 345.642 5.893 30 40 EKEB CSc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 4920186 AMFINTJNPQVFOE-CJLVFECKSA-N 332.472 5.449 30 40 EKEB Cc1ccc(/C(=C/C(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 5745080 OBYHSBNHYYNQJI-CJLVFECKSA-N 340.422 5.534 30 40 EKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/C=C\c3ccccc3)c2C#N)C1 96602769 IVFVIKAGXCYQCC-AEGBCBGUSA-N 348.515 6.186 30 40 EKEB C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 219638767 GLVBQOUXGPINBD-MRXNPFEDSA-N 337.463 5.040 30 40 EKEB CCOc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 409199273 BEPFASRQRXGULW-IWIPYMOSSA-N 349.405 5.554 30 40 EKEB CCCCCCCC/C=C(\Cl)c1c(C)[nH]c(C(=O)OCC)c1C 3664478 MGQVHIJOSALRQZ-SSZFMOIBSA-N 339.907 6.139 30 40 EKEB N#Cc1c(N)nc2c(c1-c1ccccc1)CCCCCCCCCC2 35937968 CYGXWBPSLMHDOZ-UHFFFAOYSA-N 333.479 5.422 30 40 EKEB CC12C[C@H]3C[C@H](C1)CC(C/N=C/c1c(O)ccc4ccccc14)(C3)C2 100781000 FHOMMXBZDRGRMN-LLZZGGPVSA-N 333.475 5.571 30 40 EKEB CCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526066 YBHHMHJIYWRJNR-UHFFFAOYSA-N 330.425 7.665 30 40 EKEB CCCCCCCCCCCC[S@@+](C)CCCCCCCC 104180432 JBHAQEIVEGFKNM-JOCHJYFZSA-N 329.658 7.516 30 40 EKEB CCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)cc1 198102567 VGGZYDKXSKBZOP-OAKZWBAKSA-N 348.534 6.420 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OCC 409121496 YCFAMALYZNYVOU-UHFFFAOYSA-N 345.870 5.532 30 40 EKEB c1ccc([C@H]2O[C@@H]2[C@@]2(c3ccccc3)Nc3ccccc3S2)cc1 15022463 ZEUYIQIOKFNOJX-HKBOAZHASA-N 331.440 5.197 30 40 EKEB C=CCn1c(S[C@@H](C)CCSc2ccccc2)nnc1C1CC1 84637477 VQYJHVLFWDNXKF-AWEZNQCLSA-N 345.537 5.005 30 40 EKEB O=C1/C(=C\Nc2ccc(Cl)cc2)[C@H](c2ccccc2)c2ccccc21 100333107 LKNXYTPIERDUPP-OKPNHQCWSA-N 345.829 5.664 30 40 EKEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Cl)cc2Cl)c1 100479853 KBLANUPDCVBLRO-IDUWFGFVSA-N 329.570 5.306 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1 408588201 IHNYCKHBMKZAAD-FSJBWODESA-N 331.419 5.235 30 40 EKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2cccc(Cl)c2)o1 408594200 SVOFPOTZZSGWCB-WSDLNYQXSA-N 336.778 5.022 30 40 EKEB Fc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409117383 OJAAKQGVGPREMH-LPYMAVHISA-N 341.838 6.381 30 40 EKEB Brc1cc(/C=N/c2ccccc2)sc1Br 369287 NOOYYXCOJXZHRY-VGOFMYFVSA-N 345.059 5.024 30 40 EKEB C=C(C)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 1893890 JZCOTAMHIZSQMY-UHFFFAOYSA-N 342.467 5.955 30 40 EKEB CCCCCCCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 2776417 DRTOWMGLQOZFST-UHFFFAOYSA-N 348.446 5.563 30 40 EKEB biogenic CC(C)c1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 5328103 KQBJJRUFRDATKY-YVLHZVERSA-N 326.439 6.373 30 40 EKEB N#Cc1ccccc1-c1ccc(CSc2ccccc2C(=O)O)cc1 32901717 MYKPGWMMJSAECJ-UHFFFAOYSA-N 345.423 5.216 30 40 EKEB CCCCCCCOc1cccc(NCCOc2cccc(C)c2)c1 100038794 CRIWXWOMOSMEFT-UHFFFAOYSA-N 341.495 5.835 30 40 EKEB COc1cc2c(cc1/N=C/c1ccc(F)c(F)c1)oc1ccccc12 102934068 YAVWXABEKAINNV-FOKLQQMPSA-N 337.325 5.623 30 40 EKEB CCCCCCCCCCCC[N+](C)(C)[C@@H](C)Cc1ccccc1 104123233 XDDRXFQUXSBHMM-QFIPXVFZSA-N 332.596 6.615 30 40 EKEB Cc1nc2cc(/N=C(\O)COc3ccc(C(C)C)c(C)c3)ccc2o1 12748873 LPSBLKNOTIWUKJ-UHFFFAOYSA-N 338.407 5.235 30 40 EKEB C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 16102090 UXVXHBKLSJFXAA-OQKWZONESA-N 345.402 5.026 30 40 EKEB CCCCCCCCSc1ccc(-c2ccc(CCC)cn2)cc1 33353043 YVHBFRWYEUOZSA-UHFFFAOYSA-N 341.564 7.154 30 40 EKEB CCOc1cccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)c1O 44836053 JIHJQBKLGFXOLV-ZVBGSRNCSA-N 343.732 5.214 30 40 EKEB Cc1ccc(CNc2oc(-c3cccc4ccccc34)nc2C#N)cc1 541678 KACHDNANBIAMKU-UHFFFAOYSA-N 339.398 5.287 30 40 EKEB C/C(C/C(C)=N/c1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C 5796952 BQPOGAGYMSGBNZ-CTWPWMDCSA-N 334.507 6.812 30 40 EKEB COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 33376541 CWHUJEIGYHNQKQ-SSZFMOIBSA-N 344.410 5.170 30 40 EKEB Cc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1 59461373 YEDAUUBYHRHFDE-SLCIEKFFSA-N 336.416 5.185 30 40 EKEB C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)Cc1ccccc1O 95410937 JVKUFDHEEIAOCB-GOSISDBHSA-N 342.442 5.027 30 40 EKEB C=CCOC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCC 95876444 KHPNSFFGLLOSHH-PMACEKPBSA-N 338.532 5.964 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N\Cc2ccc(OC)cc2)c1C 408965074 GAARFHZNRTUYRD-JLPGSUDCSA-N 346.474 5.284 30 40 EKEB CSc1ccccc1/N=C/c1ccc(Sc2ccc(C)cc2)cc1 409243360 YAXJWECALCNHJU-PXLXIMEGSA-N 349.524 6.619 30 40 EKEB CC/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(Cl)cc1 4871713 WPMZNJXKJFGRPG-LTGZKZEYSA-N 345.899 5.058 30 40 EKEB Clc1ccc(O/C(=N\c2ccccc2Cl)c2ccccc2)cc1 17379175 SLMICLMPRCKNDC-QOCHGBHMSA-N 342.225 6.151 30 40 EKEB CCN1/C(=C/C=C2/CCc3ccccc3C2=O)C=Cc2ccccc21 83333822 OKSGZNOCNODWPP-XVXRZGLOSA-N 327.427 5.179 30 40 EKEB CCCCCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N 102413789 SHUSCLIWCKKINB-UHFFFAOYSA-N 348.512 5.403 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)cc1 408755530 OFNINBQWXFUKAX-HAHDFKILSA-N 332.447 5.207 30 40 EKEB Fc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 408947919 BQHZSNRHCBTZJR-LFVJCYFKSA-N 341.389 5.429 30 40 EKEB Cc1ccc(N=Nc2ccc(N/C=C3/CCC[C@H](C)C3=O)cc2)cc1 409182282 JUASTGJOCKYFHD-HVQKUMBASA-N 333.435 6.095 30 40 EKEB CC(C)n1c(/N=C/c2cc(Cl)cc(Cl)c2O)nc2ccccc21 506331 SLOTZDCKKUZJLB-AWQFTUOYSA-N 348.233 5.380 30 40 EKEB CCCCCCCCCCc1ccc2c(c1)C[C@@H]1c3ccccc3C[C@@H]21 1697641 RUOURQNTWBHAPC-IZZNHLLZSA-N 346.558 7.349 30 40 EKEB Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1C 6793680 PWRWTTPBEOTYNG-UHFFFAOYSA-N 325.411 5.480 30 40 EKEB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1 8368244 FBASIOKBFMFFSW-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(F)c1 18324163 GJTZADUOTNUIOV-HXUWFJFHSA-N 336.410 5.048 30 40 EKEB C=CCc1cc(/C=N/c2cccc(Cl)c2C)cc(OCC)c1O 59679243 OMQKCJPYHHFZHI-CIAFOILYSA-N 329.827 5.232 30 40 EKEB CCCCCCCCCCCCS/C(N)=N\C[C@@H]1CCCO1 100167416 HQVGLGQOHSPRIE-KRWDZBQOSA-N 328.566 5.134 30 40 EKEB CCCCCCCCCCc1ccc(O)c(/N=N/c2cccnc2)c1 100934668 NDSDPIKAHZJXEP-WCWDXBQESA-N 339.483 6.886 30 40 EKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(Cl)cc1 408777399 ZUFCXJSTFONANV-YDZHTSKRSA-N 333.822 5.370 30 40 EKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(F)cc1 408784897 UVWLFZMOLWPIQV-UUYOSTAYSA-N 326.802 5.637 30 40 EKEB CCOc1ccccc1/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408959838 GQXJGGFEWSNOIL-XKZIYDEJSA-N 349.386 5.103 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OC 409117535 PECMRSOWHFZKLJ-UHFFFAOYSA-N 331.843 5.142 30 40 EKEB Cc1ccc(N/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 157502 AZKYGKMSGZARHP-SREVYHEPSA-N 340.637 5.764 30 40 EKEB O=C(/C=C/Oc1ccc(Cl)cc1Cl)c1cccc2ccccc12 16526191 WHYWOIZMGOQCEJ-ZHACJKMWSA-N 343.209 5.922 30 40 EKEB CC(C)c1ccc2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1 35288896 AMMOWJLUMIPSIO-UHFFFAOYSA-N 346.455 5.205 30 40 EKEB CCCCCCCCCCCCCCCC[N+]1([O-])CCOCC1 104182818 ANEQCAQYBIJUHR-UHFFFAOYSA-N 327.553 5.813 30 40 EKEB C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(CC)cc1 409126751 BYPBYGLXKXUXJG-UHFFFAOYSA-N 334.246 5.180 30 40 EKEB O=C(c1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)F 575360374 DTTHXORRRAACDD-UHFFFAOYSA-N 343.025 5.009 30 40 EKEB CCCCCCCSc1nc(N)c2c3c(sc2n1)CCC[C@H]3C 2228226 KYGCZRKUGJCQNC-GFCCVEGCSA-N 349.569 5.776 30 40 EKEB CCCCN(/C=N/c1sc2c(c1C#N)CCCCC2)CCCC 4132145 LNMCDHPMAMDGOL-RCCKNPSSSA-N 331.529 5.451 30 40 EKEB N#CCCCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 4329359 XVCVQCSOJNVSMC-UHFFFAOYSA-N 346.887 5.109 30 40 EKEB CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 6313486 VHBJXUMAXLHYQE-AWNIVKPZSA-N 343.264 5.643 30 40 EKEB CCN(Cc1ccccc1)c1ccc(/C=N/c2ccc(C)cc2)cc1 8166320 RRXZRYCLIIPMAA-JJIBRWJFSA-N 328.459 5.772 30 40 EKEB CCCCCCNc1nc(CCCC)c2c(c1C#N)CC(C)(C)OC2 20840850 OQLSQAXLSDHVOF-UHFFFAOYSA-N 343.515 5.139 30 40 EKEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)cc3C)n2)cc1 33679973 RKLUAILYXBUIDZ-HKOYGPOVSA-N 346.459 5.075 30 40 EKEB S=C(NN=C1CCCCCCCCCCC1)Nc1ccccc1 78529045 JTQRUGNHMVYHAD-UHFFFAOYSA-N 331.529 5.634 30 40 EKEB COc1ccc(Oc2ccc(NC3=CC(=O)CC(C)(C)C3)cc2)cc1 409097114 MNMSDGMCXYCKRE-UHFFFAOYSA-N 337.419 5.172 30 40 EKEB COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C)cc1 409208417 BWLNKJNIJPQVFI-HZHRSRAPSA-N 331.415 5.333 30 40 EKEB C/C(=N\Nc1ccc(F)cc1F)c1ccc(C2CCCCC2)cc1 4926473 LRKPLSHZDBCESQ-OEAKJJBVSA-N 328.406 5.849 30 40 EKEB FC(F)Oc1ccc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 5445922 DPMAGFXZCLZZFJ-UFWORHAWSA-N 331.149 5.041 30 40 EKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1cc(C)ccc1C 32100476 AYBOHWNCOFZPLM-SDNWHVSQSA-N 344.252 5.265 30 40 EKEB FC(F)(F)c1cc(Br)ccc1C(F)(F)C(F)(F)F 97949843 RETFSPZNLUVJTN-UHFFFAOYSA-N 343.011 5.122 30 40 EKEB CCCCCCCCN/C=C1/Sc2ccc(OCC)cc2C1=O 100641732 ARLXGSSELGEFFF-NBVRZTHBSA-N 333.497 5.165 30 40 EKEB CCCCCCCCCCCCCC[N+](C)(C)CCOC(C)=O 100923849 FAVAJNAORNMTOQ-UHFFFAOYSA-N 328.561 5.327 30 40 EKEB Cc1cccc(/N=C2\CCC[C@H]2C(=O)Nc2cccc(C)c2C)c1C 103048112 BZNXPSDDRGPQLO-QCLNCQLRSA-N 334.463 5.432 30 40 EKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(F)cc1 409086040 YBWVXXMGJWZWSZ-AFUMVMLFSA-N 349.449 5.750 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3cccc(Cl)c3)cc2)cc1 409243407 YKKGOAJZGOZPQN-HYARGMPZSA-N 337.875 6.550 30 40 EKEB CCCCCCCCCC(=O)Nc1cc(OC)cc2cccnc12 1771554 ZIMKZIQLUIZAOW-UHFFFAOYSA-N 328.456 5.323 30 40 EKEB Clc1ccc(N/N=C/c2cccc(Br)c2)cc1Cl 4923626 NCWUHBJWXQGWEZ-CAOOACKPSA-N 344.039 5.202 30 40 EKEB O/N=C1\CCCCCC[C@@H]1n1c(-c2ccccc2)nc2ccccc21 5387641 SCUNUHXLWNMLNS-KNOQIOAQSA-N 333.435 5.429 30 40 EKEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 6865486 QLDZWZAAFUINLM-UHFFFAOYSA-N 341.867 5.174 30 40 EKEB O=C(/C(Cl)=C\c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 31637308 QPGXKPZDIWGONY-VGOFMYFVSA-N 346.040 6.109 30 40 EKEB COc1ccc(/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cn1 223486476 USYUTCQVEYFJEW-QRVIBDJDSA-N 349.478 5.251 30 40 EKEB N#Cc1c(N=Cc2c(Cl)cccc2Cl)sc2c1CCCC2 245229141 OHBRFMPVTIBIJY-UHFFFAOYSA-N 335.259 5.556 30 40 EKEB C=CCOc1ccc(Br)cc1CNc1ccc(C)cc1C 409137942 ZVTWNUBEQWFEAW-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3ccc(C)c(C)c3)c2)cc1 409218684 XJEZEOUNYCMOPO-IWIPYMOSSA-N 329.443 5.941 30 40 EKEB CCOP(=O)(CCCCCCCCCCCCC#N)OCC 627274939 IYHIFFDHNWXXNP-UHFFFAOYSA-N 331.437 6.067 30 40 EKEB CN(C)CC[C@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 347539 COHMSQBLJMBJBN-CQSZACIVSA-N 330.884 5.050 30 40 EKEB O=C(/C(=C/c1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 8627255 ACGIFXQJLCRIQL-XSFVSMFZSA-N 334.802 5.469 30 40 EKEB Clc1cccc(Cl)c1/C=N\N=C/c1c(Cl)cccc1Cl 25668193 VVYREDLOWZKKFX-DWVBSFERSA-N 346.044 5.753 30 40 EKEB N#Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 32616755 MKCPTQNPAYZMIE-UHFFFAOYSA-N 340.813 6.094 30 40 EKEB CCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1F 97941840 QXKRJBJCPUUXFL-UHFFFAOYSA-N 327.871 6.339 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)NC[C@@H](C)O 104851257 UDZAXLGLNUMCRX-CTDFXDFQSA-N 339.564 5.521 30 40 EKEB CC[C@@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 408605202 XNMVUFWLXLSLQW-BXSODOALSA-N 338.476 5.426 30 40 EKEB CC(C)(C)c1cc(/C=N/n2cnc3ccccc32)cc(C(C)(C)C)c1O 1877001 JMGGGEJOIJXYGK-ZMOGYAJESA-N 349.478 5.219 30 40 EKEB CCCCCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 6339064 AVLAGHWXLDICDL-UHFFFAOYSA-N 334.415 5.108 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl 6880684 MEAGRCCBKZWRNO-CIAFOILYSA-N 336.262 6.095 30 40 EKEB Cc1ccc(C(C)C)c(O)c1/N=C\c1cc(Br)ccc1O 17312089 MSASHQFQKVQVFT-OCKHKDLRSA-N 348.240 5.043 30 40 EKEB CCCCCCCCCCCCNC(=O)[C@H](CC)Oc1ccccc1 97941876 WQDITLNPSIEZHK-NRFANRHFSA-N 347.543 5.881 30 40 EKEB N#Cc1c(-c2c(F)cccc2Cl)noc1/C=C/Nc1ccccc1 100417838 SEEFJMOATWQBRQ-MDZDMXLPSA-N 339.757 5.089 30 40 EKEB CCCCCCCCCCCC[S@+](C)CCCCCCCC 104180435 JBHAQEIVEGFKNM-QFIPXVFZSA-N 329.658 7.516 30 40 EKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc21 223498214 LPVSPIOCDCOEIP-QRVIBDJDSA-N 338.882 6.031 30 40 EKEB CCc1ccccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408759824 MIXGSUGPNFVHSV-OEAKJJBVSA-N 336.866 6.061 30 40 EKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409248413 KDWPWBVJGVUQQT-LFVJCYFKSA-N 346.478 5.086 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)cc3)ccc21 64085 MRSACZRPQRPICX-OEAKJJBVSA-N 332.834 6.218 30 40 EKEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)Sc1ccccc1N2 4384816 WQYORYXKWKGDLZ-LJQANCHMSA-N 325.408 5.092 30 40 EKEB O=C1/C(=N/Nc2ccccc2Cl)Sc2c1ccc1ccccc21 4499537 UQFNTDOXFSIQGN-UZYVYHOESA-N 338.819 5.207 30 40 EKEB C=CCOc1ccc(Br)cc1-c1nc2ccccc2s1 6295871 MNSQFSMMUSARQU-UHFFFAOYSA-N 346.249 5.291 30 40 EKEB O=C(NC1CCCCC1)c1ccsc1/N=C/c1ccc(Cl)cc1 6828969 SOEDQXOJVDLJNY-UDWIEESQSA-N 346.883 5.215 30 40 EKEB C=CCCCCn1c2ccccc2c2c(C)c3cnccc3c(C)c21 13281446 BNUXJBKHBGXWGI-UHFFFAOYSA-N 328.459 6.316 30 40 EKEB CCCCCCCCCCCC[N+](C)(C)[C@H](C)Cc1ccccc1 104123237 XDDRXFQUXSBHMM-JOCHJYFZSA-N 332.596 6.615 30 40 EKEB CCCCCCCCNCc1ccc(OCc2cccs2)cc1 105343511 RJFUGKSGKRAIMH-UHFFFAOYSA-N 331.525 5.777 30 40 EKEB C=CCN(C(=O)c1ccc2ccccc2c1)c1nc2c(s1)CCCC2 6649722 SXYIIAKTEPINPV-UHFFFAOYSA-N 348.471 5.008 30 40 EKEB CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1O 100922116 AOERYILZWHVJIQ-UHFFFAOYSA-N 341.517 5.055 30 40 EKEB CCCCCCCCCCCn1c(CCCCC)nc2ccccc21 101433867 FKGNPYHKXSQLOV-UHFFFAOYSA-N 342.571 7.300 30 40 EKEB N#Cc1c(/N=C\c2c(O)ccc3ccccc23)sc2c1CCCC2 101206619 PGNHOGXLZUATQT-UUYOSTAYSA-N 332.428 5.108 30 40 EKEB Cc1oc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)c(C#N)c1C 408622548 PYTXNORJVWUCIG-ZHACJKMWSA-N 344.414 5.072 30 40 EKEB COc1cccc2c(/C=N\Cc3ccccc3)c(-c3ccccc3)[nH]c12 408839933 BLVYTMWLLIMZOW-JLPGSUDCSA-N 340.426 5.463 30 40 EKEB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)Oc1cc(C#N)c(C#N)cc1O2 216662 HUUKSXMFDFYESE-UHFFFAOYSA-N 346.430 5.923 30 40 EKEB C/C(=C\C(=O)c1cccnc1)Nc1ccc(/N=N\c2ccccc2)cc1 100246507 CARYZHDZTGBTBD-IJWHOLGXSA-N 342.402 5.696 30 40 EKEB N#Cc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 520315 FNIBEKLHWWIWLG-UHFFFAOYSA-N 341.345 5.100 30 40 EKEB CCCCCCCCCCCCCCCCNCCC(=O)OCC 100016092 QBANCYONYOPMOT-UHFFFAOYSA-N 341.580 6.011 30 40 EKEB C=C(c1ccccc1)[C@]12CC[C@H](O)[C@H]1CC(CC)=C2c1ccccc1 252079412 FEGNCFJSJBCMMS-AOHZBQACSA-N 330.471 5.725 30 40 EKEB S[C@]12CCCC[C@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 3205164 NHPGGMMMZYRZIW-ZJOUEHCJSA-N 338.541 6.374 30 40 EKEB CCOc1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 32100189 AYNARJXPRQWNCH-WUKNDPDISA-N 343.426 5.561 30 40 EKEB Cc1ccc(COc2ccccc2/C=N/c2cc(C)ccc2C)cc1 409211364 MZEHPXSQGYBFRZ-BUVRLJJBSA-N 329.443 5.941 30 40 EKEB N#Cc1nc(-c2cccc3ccccc23)oc1NCc1ccc(F)cc1 542775 LFCMFEPTRDWARZ-UHFFFAOYSA-N 343.361 5.118 30 40 EKEB CCCCCCCCCC(=O)Nc1nc2ccc(OCC)cc2s1 2086076 DHYYQEITENLYFP-UHFFFAOYSA-N 348.512 5.774 30 40 EKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242141 RQMMWNGUYIMVBJ-KGENOOAVSA-N 348.427 5.638 30 40 EKEB CCCCCCCCOc1ccc(/C(=N/O)c2ccc(C)cc2)cc1 1884186 XYNZTMYCGJAYIB-GHVJWSGMSA-N 339.479 5.961 30 40 EKEB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccco1 4050406 IIMVBGRYFFZLCG-CMDGGOBGSA-N 329.808 5.261 30 40 EKEB CN(c1ccccc1)[C@@H](C#N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 5726702 DEDGVOVQBOJHAC-NRFANRHFSA-N 334.507 5.983 30 40 EKEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 6340091 SOGUCNWXZRLUPH-CXUHLZMHSA-N 347.458 5.589 30 40 EKEB C=CCOc1ccc(Br)cc1/C=N/c1ccccc1C 8570843 JQOWEOSAZXTFQN-XDHOZWIPSA-N 330.225 5.073 30 40 EKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(F)cc1 8684774 VIBQRHWTFZQAMS-MPBGBICISA-N 339.435 5.338 30 40 EKEB COc1cc(C#N)ccc1O[C@@H](c1ccccc1)c1ccccc1C 32765449 OFMOTBIRYFSZQL-QFIPXVFZSA-N 329.399 5.044 30 40 EKEB CCCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21 50704974 CHFJIQWZJJADDN-UHFFFAOYSA-N 348.534 6.768 30 40 EKEB CC(=O)/C(=C/Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 100068229 OPJCKURFCVCIHJ-JWGURIENSA-N 329.399 5.521 30 40 EKEB C[C@H](/N=C(O)/C=C/c1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 103771758 NWAJCNWYMSTERC-FYRLLNCRSA-N 348.284 5.244 30 40 EKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(F)cc3)cc1)C2 408734585 YTLYBHJWLHNEGF-DHRITJCHSA-N 344.433 5.713 30 40 EKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(C(=O)O)cc3)cc2)cc1 409255267 ZOZYEUKDWQPTBT-HYARGMPZSA-N 347.439 5.595 30 40 EKEB Clc1ccc(Sc2ccccc2/N=C/c2cccs2)cc1 3233674 CBOQPIOPOVTAID-XDHOZWIPSA-N 329.877 6.303 30 40 EKEB C=C1C[C@@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@H]12 5791603 DDIANFAJRRTYHK-IEBWSBKVSA-N 325.452 5.706 30 40 EKEB CC(C)OC(=O)Nc1ccccc1/N=C1\CCC\C1=C\c1ccccc1 6358380 QIURIPVYCPAXJA-NNTIWVENSA-N 348.446 5.984 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC 6880686 ZTLDZMLBZIKGSL-FYJGNVAPSA-N 331.843 5.450 30 40 EKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 17021253 HQVHDJLZQNBUPX-XNTDXEJSSA-N 344.410 5.170 30 40 EKEB CC(C)[C@@H]1CC[C@@H](C)/C(=C\C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 100365523 CDLMGTMYJCSWTE-LVCFQJMOSA-N 330.512 5.382 30 40 EKEB CCCCCCCCCCS(=O)(=O)[C@H]1CCCCCC/C1=N\O 100948615 WUZBPVSKZYLMRR-GHNGSUTGSA-N 345.549 5.095 30 40 EKEB Cc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1C 408851854 ASSKKCFHLXVQRS-WSDLNYQXSA-N 333.387 5.321 30 40 EKEB CCn1c(C)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)c1C 409095629 BOHJCAWKAZSOKQ-HZHRSRAPSA-N 348.446 5.676 30 40 EKEB C#CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1Cl 409122451 YXJPBLRVBNFGMT-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB O=C1/C(=C/c2ccc(Cl)cc2)CC[C@@H]1CNc1ccc(Cl)cc1 1625968 JOAUFDHOAGJLJG-ATGUSINASA-N 346.257 5.468 30 40 EKEB O=C(/C=C/c1ccc(Br)s1)c1cc2ccccc2o1 5129532 FDZFHCUHQNIXDU-FNORWQNLSA-N 333.206 5.153 30 40 EKEB CCSC1=Nc2ccccc2/C1=N/Nc1cccc(C(F)(F)F)c1 100250825 OBFQWUQCAKXZHD-HAHDFKILSA-N 349.381 5.318 30 40 EKEB CCN1c2cc(C)c(/C=N\c3ccccc3O)cc2[C@H](C)CC1(C)C 260565588 JDFOLMGGHHBLSU-GMPVXANTSA-N 336.479 5.563 30 40 EKEB CCCCOc1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 3166154 RQAJEAOWBWZHIK-CJLVFECKSA-N 349.474 5.360 30 40 EKEB C/C(=N\NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 5494699 PCMZJOWELXDYSV-XQNSMLJCSA-N 345.471 5.064 30 40 EKEB CCCCCCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1 6310026 DAZWALLCHQQHQY-PXLXIMEGSA-N 344.886 6.054 30 40 EKEB Oc1ccccc1/C=N/c1ccc2c(ccc3c4ccccc4ccc23)c1 17128903 KAPIDDRGFDXDOV-WGOQTCKBSA-N 347.417 6.602 30 40 EKEB COc1c(Cl)cc(Cl)cc1/C=N\c1sc(C)c(C)c1C#N 101206702 AQCYDHJHQGRGQX-GXHLCREISA-N 339.247 5.303 30 40 EKEB CCCCCCCc1cc(Br)sc1Br 103638722 LWEVPWJECJRWQW-UHFFFAOYSA-N 340.124 5.786 30 40 EKEB CC(C)(C)c1cc(/C=N\OCc2ccccc2)cc(C(C)(C)C)c1O 409010896 GDOYPTHMRNYFFD-UCQKPKSFSA-N 339.479 5.538 30 40 EKEB Cc1ccc(CO/N=C/c2cccnc2Sc2ccccc2)cc1 3105183 QJHKCCPXJXEOOS-HYARGMPZSA-N 334.444 5.092 30 40 EKEB Cc1ccc([C@H](CC/N=C/c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4859406 AZIRMXJZJODAMB-RDQDHVKJSA-N 349.518 5.793 30 40 EKEB C(=N/Nc1nc2ccccc2[nH]1)\c1c2ccccc2cc2ccccc12 5909088 IWJXYYQXQHZLFL-OEAKJJBVSA-N 336.398 5.315 30 40 EKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 6962612 VMDFXWVJGRNQMK-LFVJCYFKSA-N 345.442 5.723 30 40 EKEB C=CCn1nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 9936801 WXRDBJMQYLBOAV-UHFFFAOYSA-N 341.867 5.077 30 40 EKEB Cc1cccc(N/C(S)=N\CCSc2ccc(Cl)cc2)c1 13543864 CYLUBSXCQOMIAQ-UHFFFAOYSA-N 336.913 5.138 30 40 EKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccs1 14062618 VSOBVWCENDUKHW-UHFFFAOYSA-N 347.896 5.138 30 40 EKEB C/C(Nc1ccccc1Br)=C1\Sc2ccccc2C1=O 100094113 RNXCJUGVVAGTMH-MHWRWJLKSA-N 346.249 5.081 30 40 EKEB CCCOc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O 409389932 AZSYTFJJUBXAOE-UHFFFAOYSA-N 342.394 5.091 30 40 EKEB O=C1/C(=C/c2ccc(Oc3ccccc3)cc2)COc2ccccc21 3307749 DBKJYRCKPCREBC-SAPNQHFASA-N 328.367 5.138 30 40 EKEB C=C(C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 4836854 NRJUDVPOGVERHI-JOCHJYFZSA-N 340.422 5.482 30 40 EKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1F 36333289 PTMIVIVASDYPPJ-UHFFFAOYSA-N 348.402 5.101 30 40 EKEB CCc1ccc(/N=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 104334020 FRPKQMMWQYKMQP-DQRAZIAOSA-N 328.371 5.307 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=N\c3cccc(C)c3C)c2C)cc1C 408742315 WAGYFLHZKWDRJA-OYKKKHCWSA-N 330.475 6.078 30 40 EKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 84971 HOGHLRUTFBQDFP-OEAKJJBVSA-N 349.817 5.618 30 40 EKEB COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 221860 YCATZSPYXHCBSC-RGVLZGJSSA-N 342.851 5.531 30 40 EKEB C/C(=N\OC(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084788 ABRMQAQDGKDZDO-NNYFERJJSA-N 335.447 5.455 30 40 EKEB COc1ccc(OCc2ccccc2)c(C(=O)/C=C/c2ccccc2)c1 5210498 WUJSGBUWXCYWQK-WYMLVPIESA-N 344.410 5.170 30 40 EKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCCCC 5248732 YTTGPVZTXCQMGX-UHFFFAOYSA-N 346.478 5.388 30 40 EKEB C/C(=N\Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 7735724 CNZSLYJXVBQHGZ-ZVBGSRNCSA-N 347.167 5.848 30 40 EKEB Clc1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811423 CEOMCRVJJBBLFV-WSDLNYQXSA-N 345.229 5.377 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C)c(C)c2)c1C 59104088 KHFHTMIABPTOTI-MFKUBSTISA-N 344.502 6.332 30 40 EKEB CC(C)[C@H]1CC[C@@H](C)/C(=C/C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 100365514 CDLMGTMYJCSWTE-SZKPXJJZSA-N 330.512 5.382 30 40 EKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCCC 409122057 YNCHJNUPKUAFLI-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(C)c1 2268884 OVZXOTSRNFUXMV-BUVRLJJBSA-N 345.490 5.528 30 40 EKEB CCCCCCC1CCC(c2ccc(-c3ccc(C#N)cc3)nc2)CC1 5003314 WAXSSXFESDLULO-UHFFFAOYSA-N 346.518 6.864 30 40 EKEB C=CCSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5557037 GEOZCCZADNKGOG-UHFFFAOYSA-N 337.492 5.280 30 40 EKEB C=CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 6855832 GFAJIAMRUIZVTO-UHFFFAOYSA-N 337.850 5.348 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OCC 6880687 IIJCGVWMEHBXLG-HYARGMPZSA-N 345.870 5.841 30 40 EKEB O=C1/C(=C/C=C\c2ccccc2)CCC/C1=C\C=C\c1ccccc1 12340168 CTQRVSIAFMWYTR-RCTBNKLDSA-N 326.439 6.019 30 40 EKEB Cc1ccc(C(=O)/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1C 17004640 HVHMRTQSZJQKOB-CJLVFECKSA-N 340.422 5.453 30 40 EKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(C(C)(C)C)cc1 109647586 NLDUYBMLSZXGEY-IWIPYMOSSA-N 338.470 5.782 30 40 EKEB CCCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccccc1 408914177 VWPXUFQXAVJDQV-BOXNHUFISA-N 342.489 5.071 30 40 EKEB C=CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OCC 409113558 HDQUGJFAHDJFQF-UHFFFAOYSA-N 345.870 5.478 30 40 EKEB CCc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 409243768 YGWRJBVMRCEQGW-XQNSMLJCSA-N 331.484 6.459 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1C 58450 HISNNKJTWUXPFT-YDZHTSKRSA-N 342.398 5.568 30 40 EKEB biogenic CCCCCCCCCCCC(=O)Nc1cc(C(=O)O)ccc1C 8449917 ZSJDAGHALXBLHJ-UHFFFAOYSA-N 333.472 5.553 30 40 EKEB C=C(C)CSc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1 16808422 WEQALMPEPFPXAL-UHFFFAOYSA-N 346.499 5.711 30 40 EKEB CCCCCCCCCCCCCCCCN1C[C@H]2CCCC[C@H]2C1 104377604 JSXFTQNDPFTADO-PSWAGMNNSA-N 349.647 7.590 30 40 EKEB C[C@H]1CCC[C@@H](C)N1CC#CCC(c1ccccc1)c1ccccc1 1817312 UYHHYVBPVDGICP-OYRHEFFESA-N 331.503 5.475 30 40 EKEB O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 3126135 AAZVRZYDURAVJJ-BQYQJAHWSA-N 343.662 6.136 30 40 EKEB CCCCCCCC[n+]1c(C)n(C)c2cc(Cl)c(Cl)cc21 3204259 MDWKIQINPVMSQI-UHFFFAOYSA-N 328.307 5.442 30 40 EKEB O=C(/C=C/c1ccc(F)cc1)c1cccc(N2Cc3ccccc3C2)c1 59503634 UITWZXHWINBAKA-JLHYYAGUSA-N 343.401 5.242 30 40 EKEB C/C(=N\OCc1ccccc1F)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084848 FDRSCKXBTVRVSF-MTAMYTDCSA-N 325.427 5.645 30 40 EKEB CCCCCCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC 4412937 ZFDLMXAVXOTRRE-OQKWZONESA-N 340.467 5.125 30 40 EKEB CCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1 59379906 MADJEWLMWMDFAG-UHFFFAOYSA-N 340.616 6.335 30 40 EKEB N#Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 226302748 VTEZNSDIZHAJRT-UHFFFAOYSA-N 348.402 5.194 30 40 EKEB C=CCOc1ccc(CNc2cc(C)ccc2C)cc1Br 409117941 MDWQFMIPFBLZCP-UHFFFAOYSA-N 346.268 5.243 30 40 EKEB CCCCCCCCCCCCCCCC(=O)Nc1cc(C)ccn1 8450729 BWXYZOBKLJRCHH-UHFFFAOYSA-N 346.559 6.810 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2F)cc1 44843173 BRJZIOYUCQGSME-VAWYXSNFSA-N 347.817 5.467 30 40 EKEB CCCCCCCCc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 59608558 UPELUGQBCUWBTJ-GHVJWSGMSA-N 338.451 6.703 30 40 EKEB CCCCCCCOc1ccc(CNc2ccc(C)c(C)c2)cc1 100024576 WUZQJVAFJNTITP-UHFFFAOYSA-N 325.496 6.265 30 40 EKEB CCCCCCCCCCCC1=NC[C@@H](C[C@H](C)CC(C)(C)C)O1 104043208 JHOWWIRKZSMQAQ-VQTJNVASSA-N 337.592 7.167 30 40 EKEB CCCCCc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225856533 SITDSTNEWLCHTJ-UHFFFAOYSA-N 336.266 5.030 30 40 EKEB CCCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 408915865 RCTPKYZOVBATSK-HOOMGSECSA-N 336.460 5.009 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3ccc(C)cc3C)c2)cc1 409211172 MZKZXRHNHBJMJB-IWIPYMOSSA-N 329.443 5.941 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC 6880671 AUUCPMAZWXBEAJ-LPYMAVHISA-N 345.870 5.895 30 40 EKEB CCCCCCCCCCCCCCNCCCCCC(=O)O 104338775 LYTAZONWIPQILQ-UHFFFAOYSA-N 327.553 5.922 30 40 EKEB CCCCCCCC/C=C/CCCCCCCC(=O)NC[C@H](C)O 104851261 UDZAXLGLNUMCRX-CFGKVWFZSA-N 339.564 5.521 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3cc(C)cc(C)c3)ccc21 1001763 LLSQTEWQQUOYDM-BUVRLJJBSA-N 326.443 6.182 30 40 EKEB Cc1cccc(CSc2nc(C)cc(-c3ccccc3)c2C#N)c1 1806230 FDEGDXOBXVGWQC-UHFFFAOYSA-N 330.456 5.529 30 40 EKEB CCCCCCCn1c(/N=C/c2ccccc2O)nc2ccccc21 2269666 QAFCADPFRYZLLZ-CJLVFECKSA-N 335.451 5.463 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(OC)c(OC)c1 101472579 VZZSZAPZTFOKQH-UHFFFAOYSA-N 348.527 6.588 30 40 EKEB CCCCCCCCCCCOC(=O)NC(=S)c1cccnc1 408731583 LXVMBPYLSLBPRP-UHFFFAOYSA-N 336.501 5.014 30 40 EKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1C 409202686 SPVQHJLAZYNCOO-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB C=CCSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 7654621 UNNXVINSSXSOIA-UHFFFAOYSA-N 341.461 5.352 30 40 EKEB Cc1c(C#N)sc(/N=N/c2cc(Cl)c(O)c(Cl)c2)c1C#N 16249584 XWZMBJNVUOSHMZ-VHEBQXMUSA-N 337.191 5.228 30 40 EKEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccccc1Br)CC2 33706180 DYUCPJZTCCTILW-PTNGSMBKSA-N 341.248 5.278 30 40 EKEB Oc1ccc2ccccc2c1/C=N/CC12CC3C[C@H](CC[C@H](C3)C1)C2 100906952 DOYBWORBPPFDRB-CUNQOXMESA-N 333.475 5.571 30 40 EKEB CCCCCCCCCCCCCCC[C@H]1CCC[C@H]2CCCC[C@H]12 104145440 KAPWPCCFMBDURV-ISJGIBHGSA-N 348.659 9.074 30 40 EKEB N#Cc1ccc2ccn(C(=O)c3cccc4c(Cl)cccc34)c2c1 216961369 FNRRZXLHBYSZSY-UHFFFAOYSA-N 330.774 5.008 30 40 EKEB C=CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1 5382799 QXCNIEPFCWWXKB-UHFFFAOYSA-N 344.336 5.123 30 40 EKEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408968299 YAWDJHRSMQRLHR-MYYYXRDXSA-N 339.442 5.701 30 40 EKEB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)Sc2ccccc21 2918413 SOBOJZWQUVQKNB-KGENOOAVSA-N 344.435 5.595 30 40 EKEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 5248842 JHQLPQZFPFQERX-UHFFFAOYSA-N 346.478 5.365 30 40 EKEB C(=N\N(c1ccccc1)c1ccccc1)\c1ccc(N2CCCC2)cc1 15227477 XRWSIBVXSYPWLH-CLCOLTQESA-N 341.458 5.459 30 40 EKEB CCOc1ccccc1/N=C\c1c2ccccc2cc2ccccc12 102948138 ZSFUUFJQEOHQFO-JLPGSUDCSA-N 325.411 6.142 30 40 EKEB CCCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 575358863 VKQPOVZQPVZRGO-UHFFFAOYSA-N 344.270 5.435 30 40 EKEB Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3 227050 ZAAVLMFIJPBMAF-UHFFFAOYSA-N 349.437 5.361 30 40 EKEB CC(C)c1cc(C=C2C(=O)c3ccccc3C2=O)cc(C(C)C)c1O 1564152 BNXHOASWMHXZOK-UHFFFAOYSA-N 334.415 5.102 30 40 EKEB CC1(C)C[C@@H]([C@H](CC/N=C/c2ccccc2)c2ccccc2)CCO1 4785736 VSHGZYNYQYFIKY-VCQNIWFMSA-N 335.491 5.485 30 40 EKEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C/C=C/c1ccccc1 16102510 MBQPXFGNXXPHIA-DYTMQZIQSA-N 333.460 5.593 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccccc2C(F)(F)F)cc1 51318695 YQRGUUVCHSCCPS-VAWYXSNFSA-N 333.353 5.637 30 40 EKEB Cc1ccccc1/N=C1\c2ccccc2/C(=N\c2ccccc2C)N1C 100705862 VEXAFTXAMHVGTD-BQASJOSNSA-N 339.442 5.405 30 40 EKEB CCCCC#CC[N+](CCCC)(CCCC)CCCCCCCC 100925864 VOFQUMIXNZZPJA-UHFFFAOYSA-N 336.628 6.958 30 40 EKEB C=CCOc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 408563780 PMDRGWXAFNEDTL-UHFFFAOYSA-N 347.867 5.026 30 40 EKEB Cc1ccc2nc(/N=C/c3cc(Cl)cc(Cl)c3O)sc2c1 325733 PRQQQHVMPBGJMT-CNHKJKLMSA-N 337.231 5.368 30 40 EKEB CCc1nc(SCc2ccccc2Cl)c(C#N)c2c1CCCC2 548787 NYJMAWCVPJGDQA-UHFFFAOYSA-N 342.895 5.340 30 40 EKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1 8570855 PPNNDMVIJOQICG-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCc1ccc2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1 16841773 ICVJXNWXOYJDKP-UHFFFAOYSA-N 337.810 5.074 30 40 EKEB CCCCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 97966123 XGOHLQCHAGLKHP-FIXSFTCYSA-N 349.518 6.008 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1cccc(OC(C)C)c1 219807905 CMEVZQRURULMBY-UHFFFAOYSA-N 327.449 5.004 30 40 EKEB C#CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1Cl 409113318 AIAANBOOMBTQRW-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1 409218606 WDFXGEFGMCNXJB-PJICWNCHSA-N 342.533 5.891 30 40 EKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 2450909 OGGRWBAEHABIGP-UHFFFAOYSA-N 341.867 5.077 30 40 EKEB CCCCCCCCCCCC(=O)Oc1cccc2ccccc12 2508003 CJSQRFDKBOSEJH-UHFFFAOYSA-N 326.480 6.666 30 40 EKEB Clc1ccc(N/N=C/C(Br)=C/c2ccccc2)cc1 3275751 KHBXIEXWBYTNOL-CGZFJWOTSA-N 335.632 5.174 30 40 EKEB C(=N/Nc1nc2ccccc2o1)\C(c1ccccc1)c1ccccc1 4966000 XAWFMRNLVALVEB-PXLXIMEGSA-N 327.387 5.058 30 40 EKEB CCCCCCCCCCCCCC(=O)P(=O)(OCC)OCC 100304493 LXDGWOOPZOZUKZ-UHFFFAOYSA-N 348.464 6.480 30 40 EKEB CCN1c2cc(C)c(/C=N\c3ccc(OC)cc3)cc2C(C)=CC1(C)C 223498320 IUTQDVVDOZKFLW-IWIPYMOSSA-N 348.490 5.776 30 40 EKEB C#CCOc1ccc(/C(CC)=C(\CC)c2ccc(OCC#C)cc2)cc1 1685700 LCTYVHULSYWGNJ-WCWDXBQESA-N 344.454 5.441 30 40 EKEB in-vitro N#Cc1c(-c2ccc(Cl)cc2Cl)c2c([nH]c1=S)CCCC2 5749488 XMMXMRYEKSIEDJ-UHFFFAOYSA-N 335.259 5.468 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1F)c1ccc2ccccc2c1 6943176 ULNARMWDWPYAEU-KTKRTIGZSA-N 325.770 5.441 30 40 EKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1F 6961639 RIDUBMQETOKRFA-BUVRLJJBSA-N 349.405 5.554 30 40 EKEB CCCCCCCCCCCCCCCCn1nnc2ccccc21 8453595 OZJXIBNUHGZIOC-UHFFFAOYSA-N 343.559 6.913 30 40 EKEB CC(C)CC[C@@]1(CC/N=C/c2ccccc2)CCO[C@H](C(C)C)C1 100759563 JAPHEBBQVFDOLP-CPXKFIDQSA-N 329.528 5.753 30 40 EKEB biogenic CCCCCCCCCCCC(=O)c1ccc2cccnc2c1O 100935824 DIYUKFALQUOEES-UHFFFAOYSA-N 327.468 6.044 30 40 EKEB CCCCOc1ccc2ccccc2c1/C=N\OCc1ccccc1 409009035 RGSHSALSLPCGMI-KQWNVCNZSA-N 333.431 5.569 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C)c2)cc1OC 409388394 UZZSOAOKTSNSNK-HKMXWPIPSA-N 331.843 5.585 30 40 EKEB OC1=Nc2ccc(Cl)cc2/C1=N\Nc1ccc(Cl)cc1Cl 58673295 PBDDEVSMILCNHR-UHFFFAOYSA-N 340.597 5.065 30 40 EKEB CC(C)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 140629400 WDNHXTSVKHRIKK-XQNSMLJCSA-N 331.463 5.417 30 40 EKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 223526816 BPDJCPSBGREXHD-BXSODOALSA-N 326.871 5.813 30 40 EKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 409057183 UTGCJCSGSOIMRC-CSKARUKUSA-N 340.637 5.845 30 40 EKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(-c2ccccc2)cc1 409101424 XQQKZICUKOXQMM-HZHRSRAPSA-N 335.834 6.156 30 40 EKEB CCCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl 6880689 UIOHVVZOIVSVAE-RGVLZGJSSA-N 338.234 5.541 30 40 EKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC 6959687 VRRJQCFOARXSOQ-CIAFOILYSA-N 331.843 5.505 30 40 EKEB CCCCCCCCC(=O)Nc1c(C)c(CC)nc2ccccc12 8397686 SXZNSJPLMOVRDF-UHFFFAOYSA-N 326.484 5.795 30 40 EKEB biogenic C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/O 12653673 GKFSDTRKPOZJAE-CQWWLVNXSA-N 345.571 7.142 30 40 EKEB CCCCCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 97941865 WDFUZKFMBFYBGN-HXUWFJFHSA-N 341.520 5.607 30 40 EKEB CCCCCCCOc1cccc(NCCc2ccc(Cl)cc2)c1 100038928 DOWIUAOCUCCJPA-UHFFFAOYSA-N 345.914 6.344 30 40 EKEB Cc1cc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)ccc1F 408963319 ZDLRYVHOKBTRKO-SSDVNMTOSA-N 337.350 5.151 30 40 EKEB CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(OC)c2)c1C 408967423 QNSSUVCAJPPMTE-HZHRSRAPSA-N 332.447 5.416 30 40 EKEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(F)F 409360560 QEUNWFNGALPWMI-MHWRWJLKSA-N 348.370 5.016 30 40 EKEB CCCCCCCCCC[C@H](C)c1ccc(S(=O)(=O)O)cc1 1560272 CJTZDYDOPZRFTF-INIZCTEOSA-N 326.502 5.568 30 40 EKEB CCCCCCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1 8442492 LQDJVORSHXSUQI-UHFFFAOYSA-N 343.515 6.203 30 40 EKEB C/C(=N/OC(=O)c1ccc(C)cc1)c1ccc2c(c1)Cc1ccccc1-2 44790630 UTXJUGFWOOJOBB-JLPGSUDCSA-N 341.410 5.147 30 40 EKEB CCc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 408739435 BYNNUZWLEIHJKV-IWIPYMOSSA-N 330.475 6.024 30 40 EKEB C=C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C 4025218 LXELBISQABCQRG-PDGJWGCVSA-N 326.480 5.997 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3ccc([N+](=O)[O-])cc3)ccc21 4549765 DLCVQVUXUPBZQF-HYARGMPZSA-N 343.386 5.473 30 40 EKEB CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OCC 6942404 WZZNDTYEEWNECL-FYJGNVAPSA-N 331.843 5.587 30 40 EKEB C[C@H](Cc1cccs1)/N=C(\S)Nc1ccc(Cl)c(Cl)c1 8692021 XVDGSCKPCHCWHT-SECBINFHSA-N 345.320 5.384 30 40 EKEB CCOc1ccc(/N=C2/c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 17241911 FFEXGEDNJDCTGM-INZAYJCZSA-N 341.410 5.186 30 40 EKEB Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 32287029 VRNAMTYSSIYURH-BENRWUELSA-N 333.343 5.059 30 40 EKEB CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c1 113864900 DFVPPYJTFYRLPU-ACCUITESSA-N 346.382 5.019 30 40 EKEB CCCCCCCC/C=C/C/C=C\C/C=C/CCCC(=O)NCCO 256961104 YKGQBEGMUSSPFY-NXRLWLEVSA-N 349.559 5.465 30 40 EKEB CN(C)CC[C@]1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O 18161 YPDVRXQZIAHANI-SBCUQWKCSA-N 343.898 5.135 30 40 EKEB CCCCCCCCCNC(=O)c1c(-c2ccccc2)noc1C 2753077 GGKXXEZXRWJPQJ-UHFFFAOYSA-N 328.456 5.130 30 40 EKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1 4280538 VSUQVHMGSVGZBO-VGOFMYFVSA-N 342.825 6.543 30 40 EKEB CCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OCC 4714205 QEJJMJMGNUHBMT-CPNJWEJPSA-N 340.444 5.204 30 40 EKEB C/C(=N\Nc1ccccn1)c1ccc2c(c1)Nc1ccccc1S2 6312658 IZVAPKKFGXPRJZ-LPYMAVHISA-N 332.432 5.126 30 40 EKEB CC(/N=N/c1cccc2ccccc12)=N\N=c1\[nH]c2ccccc2s1 23411399 RDFABMSEIOYTAN-OSWVXBLQSA-N 345.431 5.401 30 40 EKEB C=CS(=O)(=O)CCCCCCCCCCCCCCCCCC 104161238 GJNYFOAXSMOBIG-UHFFFAOYSA-N 344.605 6.806 30 40 EKEB C(=N/Nc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 408567397 MMWGWZURYYKZIG-KGENOOAVSA-N 344.443 5.047 30 40 EKEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 408914135 VPXYTIVCXCPSCW-BIXZQSIESA-N 336.460 5.007 30 40 EKEB N#CCCCSc1nc2cc(Cl)ccc2n1Cc1ccccc1 4221097 QCCFDOVHLYLFEA-UHFFFAOYSA-N 341.867 5.134 30 40 EKEB O=C(/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 4962098 JTRQEDPFEOMATD-HKWRFOASSA-N 329.355 5.018 30 40 EKEB O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccccc2)C1 5224614 DEBQXYKYKLYOKB-CQSZACIVSA-N 347.336 5.028 30 40 EKEB Cc1cccc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1O 5419570 LFVWOVFEAMLNOP-LPYMAVHISA-N 344.439 5.728 30 40 EKEB C/C(=N\OCc1ccccc1)c1cccc(N2Cc3ccccc3C2)c1 6238001 PXIAPQMCPKOQOG-HKOYGPOVSA-N 342.442 5.148 30 40 EKEB CCCCCCCC/C=C\CCCCCCC[C@@H](O)CC(=O)O 142952966 SBPXXWBTOQUFGY-ZBTAVZRMSA-N 326.521 5.860 30 40 EKEB CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 253505468 QCPOUGYGVCEUFB-PRXNXHDGSA-N 328.540 6.181 30 40 EKEB COc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cn1 409241310 RAMSWVWAXNKHPS-BKUYFWCQSA-N 334.444 5.300 30 40 EKEB CCCc1cc(Nc2ccc(C)cc2)n2c(nc3ccccc32)c1C#N 5454816 VNUPRCJFKIVYES-UHFFFAOYSA-N 340.430 5.364 30 40 EKEB Fc1ccc(CS/C(S)=N\c2cccc(C(F)(F)F)c2)cc1 6511569 QAUOULMVMKORPX-UHFFFAOYSA-N 345.386 5.695 30 40 EKEB O=C(O)c1cccc(-n2cccc2/C=N/c2cccc3ccccc23)c1 409109045 XAYNLBQFLULCGP-HZHRSRAPSA-N 340.382 5.079 30 40 EKEB COc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 409211827 NEWWQBRNTRPFAL-UCQKPKSFSA-N 335.378 5.164 30 40 EKEB N#Cc1ccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)cc1 561147 JTBAYCGHSWIDBT-YZSQISJMSA-N 348.405 6.236 30 40 EKEB CC(C)C[P+](Cc1ccc([N+](=O)[O-])cc1)(CC(C)C)CC(C)C 5633126 CZMSTKGXQIUHEC-UHFFFAOYSA-N 338.452 6.080 30 40 EKEB CCOP(=O)(CCCCCCCCCCCCS)OCC 39337623 JAVFXEXYSKLPHD-UHFFFAOYSA-N 338.494 6.083 30 40 EKEB biogenic Cc1cc(C)cc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 100116644 QCUHNFVVNVXNIV-LPYMAVHISA-N 347.418 5.370 30 40 EKEB Oc1ccc2ccccc2c1/C=N/C[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2 217765751 TYPJGUKCUWMYMK-WBPXPEFYSA-N 333.475 5.571 30 40 EKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccccc4)ccc32)c1 409247780 NUZSFKQMKZCPDR-IWIPYMOSSA-N 328.390 5.579 30 40 EKEB Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3[C@H]1CC=CCC1 140601 SCKBSNSAYTXWKL-YCRPNKLZSA-N 344.458 5.416 30 40 EKEB Cc1ccc(C)c(N/C(S)=N\N=C2\CCCCc3ccccc32)c1 4871601 NWVGHEMPUOSLMU-PYCFMQQDSA-N 337.492 5.132 30 40 EKEB CCCCCCCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 100984486 FLJUOSCZWISIQX-UHFFFAOYSA-N 327.443 5.899 30 40 EKEB CCOc1ccccc1/N=C\c1ccc(O[C@H](C)CC)c(Cl)c1 409016307 TUEQYHZVDJVYDP-SFDYMUJDSA-N 331.843 5.667 30 40 EKEB Cc1ccc(O)c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1 6714699 AEUMLCQGPOARLO-FYJGNVAPSA-N 328.843 5.095 30 40 EKEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C 13399101 IVXCPPFOKIYBRE-OHZNAXCZSA-N 328.540 5.420 30 40 EKEB biogenic Cc1ccc(Sc2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1 59137814 UIAYAHOHMVDCCS-UHFFFAOYSA-N 346.407 5.202 30 40 EKEB CCCCCCCCCCCC(=O)C[C@H](SCC)c1ccccc1 104207771 AOBJSLNYGONCQA-QFIPXVFZSA-N 348.596 7.361 30 40 EKEB CC(C)CCn1ccc2cc(NC(=O)c3ccnc(N=[N+]=[N-])c3)ccc21 108517082 AMKMIJBONVYDIG-UHFFFAOYSA-N 348.410 5.277 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc(C#Cc3ccccc3)s2)cc1 5358616 HTBAZAXCCLQTJH-XNTDXEJSSA-N 344.435 5.053 30 40 EKEB Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 59500240 RXXCUZBFOLALMZ-JJIBRWJFSA-N 337.426 5.598 30 40 EKEB C(=N/c1cccn2cc(-c3ccccc3)nc12)\c1cccc2ccccc12 100924049 HRBZUYBBZCVJRU-PCLIKHOPSA-N 347.421 5.905 30 40 EKEB CCCCCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 108519850 HYPIEROWBMINSO-UHFFFAOYSA-N 343.433 6.565 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(C)cc3)cc21 223506737 DJZKDWSTQDURNO-MFKUBSTISA-N 346.518 6.464 30 40 EKEB Cc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1 260573573 YZNYSSKBXHUTDV-KWXFCVSUSA-N 348.534 6.555 30 40 EKEB Cc1ccc([C@]2(CC/N=C/c3ccccc3)CCOC(C)(C)C2)cc1 2477467 ZETDSKUJZSVAAR-WDRHXJDGSA-N 335.491 5.331 30 40 EKEB CCN(CC)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1 254554717 YGBCLRRWZQSURU-UHFFFAOYSA-N 343.474 5.705 30 40 EKEB C#CCSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 1893883 KNKGNOVUMUKBAH-UHFFFAOYSA-N 332.453 5.074 30 40 EKEB Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21 4710531 YCCUVPNLORHUTM-SFHVURJKSA-N 346.455 5.169 30 40 EKEB CCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 97955274 ZEVNCRFRXWZTEZ-UHFFFAOYSA-N 347.462 5.717 30 40 EKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408742260 VQVGLOFWVFLGNG-HZHRSRAPSA-N 331.463 5.219 30 40 EKEB COc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C#N)cc2)o1 409015412 AFYUNZURSPKCKS-WSDLNYQXSA-N 336.778 5.231 30 40 EKEB COc1ccc(C(=O)/C=C/c2cc3cccc(C)c3nc2Cl)cc1 4350087 XRWSZXIRWZHZLI-DHZHZOJOSA-N 337.806 5.101 30 40 EKEB C/C=C/C=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 104244777 SRXVDPUCEILPPO-XIBPWADYSA-N 343.495 6.274 30 40 EKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccc(O)cc1 494273 HUKSSDIKLBOAHH-QHCPKHFHSA-N 341.410 5.219 30 40 EKEB CCc1ccc(/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 8085091 AJEODBMTQDABID-LFVJCYFKSA-N 329.443 5.887 30 40 EKEB O=C(/C=C/c1ccccc1Cl)c1ccc(N2CCCCCC2)cc1 13039392 PBRYISCVOLISJG-SDNWHVSQSA-N 339.866 5.617 30 40 EKEB C/C=C\C(=O)OCCCCCCCCCCCCCCCCCC 104071934 HBEOHRMPTRZKOK-YQLNASGTSA-N 338.576 7.367 30 40 EKEB CCCCCCCCCCCCCCCC(=O)NCCN(C)C 104110112 YGAIULHEOURLHG-UHFFFAOYSA-N 326.569 5.146 30 40 EKEB CC/C(C)=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 104244786 OZDHZXMDYQBQGD-CLCOLTQESA-N 345.511 6.498 30 40 EKEB COc1ccccc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 361139 DDEREMQBVQSJCO-HYARGMPZSA-N 328.371 5.254 30 40 EKEB CCCCCCCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 97941860 BPTXDPVADIVXBG-MRXNPFEDSA-N 339.907 5.283 30 40 EKEB CN(C)c1ccc(/C=N\c2cccc(C(F)(F)F)c2)c(Cl)c1 104226994 PQZQTLXBAITVTJ-FBHDLOMBSA-N 326.749 5.175 30 40 EKEB CCCCCCCCCCCNC(=O)COc1ccc(Cl)cc1 8432291 KEXMVLAROHFXME-UHFFFAOYSA-N 339.907 5.366 30 40 EKEB CCCCCCCCCCC[C@@H](O)CC(=O)OCc1ccccc1 100252995 NRNRXBHTCKDUNQ-HXUWFJFHSA-N 334.500 5.402 30 40 EKEB CCCCCCCCC1(C(=O)OCCN(CC)CC)CCCCC1 104049291 JLLMBUNEHOELLK-UHFFFAOYSA-N 339.564 5.573 30 40 EKEB C=C1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925479 DPCZMRQCEHNJJR-QZKGNRECSA-N 328.496 5.437 30 40 EKEB Cc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c(C)c1 408859325 VUKISKXPGFYSCK-ODLFYWEKSA-N 347.256 5.010 30 40 EKEB O=C(/C=C/Nc1ccccc1C(F)(F)F)c1cccc2ccccc12 409176977 CVQKPEGJCOXMPJ-OUKQBFOZSA-N 341.332 5.667 30 40 EKEB COc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl 409210364 KAKZWIARCQJIPR-UFWORHAWSA-N 328.626 5.714 30 40 EKEB C=CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc12 499602 YGJCDDKFBRKRDU-UHFFFAOYSA-N 349.437 5.809 30 40 EKEB C#C[C@@]1(O)CCC(c2ccccc2)(c2ccccc2)CC12CCCC2 3844257 OMUXGHBMBICLHL-XMMPIXPASA-N 330.471 5.081 30 40 EKEB biogenic CC(C)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 4276643 RQZOCBGMOCBGMA-BJMVGYQFSA-N 335.230 5.677 30 40 EKEB C=C1C[C@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@@H]12 5482552 LIEDCQPGOXPJSJ-HKUYNNGSSA-N 344.882 5.968 30 40 EKEB CCCCCCC[C@H]1C(=O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 100870697 XGOHLQCHAGLKHP-WMTXJRDZSA-N 349.518 6.008 30 40 EKEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccccc1 408856013 HUNGSTWPAJSCFD-MOSHPQCFSA-N 339.236 5.299 30 40 EKEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1cccc2ccccc12 409001904 XRDHUZPBERHXRW-HZHRSRAPSA-N 340.430 5.088 30 40 EKEB CCn1c2ccccc2c2cc(/C=N/c3cc(C)ccc3C)ccc21 994978 YOHFHANGVKMRPL-BUVRLJJBSA-N 326.443 6.182 30 40 EKEB CCCCCCCCC(=O)N1c2ccccc2Sc2ccccc21 1729639 GPGRELSHWAIUBG-UHFFFAOYSA-N 339.504 6.567 30 40 EKEB N#Cc1cc2c(nc1SCc1c(Cl)cccc1Cl)CCCC2 4116540 KEYKQRJGLHZENB-UHFFFAOYSA-N 349.286 5.431 30 40 EKEB C=CCCCCCCCCc1n[nH]c(SCCCCCCC)n1 97951172 NOJAAQZBXMZDCE-UHFFFAOYSA-N 337.577 6.326 30 40 EKEB CCCc1oc(C#N)cc1CSc1ccnc2cc(Cl)ccc12 1431682 UVMHBGLDPQSMPI-UHFFFAOYSA-N 342.851 5.598 30 40 EKEB C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CCC 4652799 XLHFFKXZZVJLIA-KGZUAYNTSA-N 349.518 5.432 30 40 EKEB Cc1ccc([C@H]2CC(=O)C=C(Nc3cc(Cl)cc(Cl)c3)C2)cc1 5942457 FSJPHKSMVDIBEH-CQSZACIVSA-N 346.257 5.744 30 40 EKEB Clc1ccc(/N=C2/C=C(Nc3ccc(Cl)cc3)CCC2)cc1 13401327 LWFMJQZDSYEVOT-RELWKKBWSA-N 331.246 6.246 30 40 EKEB CCCCCCCOc1ccc(CNc2ccccc2OC)cc1 100029083 QJPCBMBYNOUCLD-UHFFFAOYSA-N 327.468 5.657 30 40 EKEB CN1/C(=C/C=C/C=C2\Cc3ccccc3C2=O)C(C)(C)c2ccccc21 100265575 DEWLJBKRIUSZAA-FJRBDEOBSA-N 341.454 5.220 30 40 EKEB CCCCCCCCCCCCCCCCCOC(=O)n1cccc1 102060551 QISYEZKXYHSPBA-UHFFFAOYSA-N 349.559 7.344 30 40 EKEB Cc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 237991 XLMZZSTUBFDMLY-LFVJCYFKSA-N 337.426 5.598 30 40 EKEB O=C1c2ccccc2NC2(CCCCCC2)N1N=C1CCCCCC1 4182611 BPZYTGACLCGROB-UHFFFAOYSA-N 339.483 5.315 30 40 EKEB Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cc2ccccc2o1 5212173 LQMAQAPIUFUJIE-VAWYXSNFSA-N 345.423 5.761 30 40 EKEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 7449823 YMNMCHYRSSQMOF-LJQANCHMSA-N 341.863 5.606 30 40 EKEB Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccccc2F)c1 8368212 SGXFCTHCPNMQDJ-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB O=C(/C=C/C1=C[C@H]([C@@H]2CCCCCN2)c2ccccc21)c1ccccc1 97447424 HDTMITJODROCMS-PNVKXUSSSA-N 343.470 5.139 30 40 EKEB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/O 4587569 SUIVXLJKUVOXKD-ULTGGTCUSA-N 345.571 7.142 30 40 EKEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1cccc2ccccc12 12971076 MUEJPLOMHIPDET-FYJGNVAPSA-N 329.428 5.248 30 40 EKEB O/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 216848738 NNNUELREXSCESX-CNHKJKLMSA-N 330.598 5.034 30 40 EKEB C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 408577161 WYTGAMWXHCSIHI-ZDUSSCGKSA-N 347.867 5.024 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(OC)cc2)c1C 408960259 KIYABTPVPRLOCE-IWIPYMOSSA-N 346.474 5.724 30 40 EKEB Fc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 409023225 VGHOEZNTDHFMJV-RGVLZGJSSA-N 347.867 6.442 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 409209205 GLZSRBIQXKLQPB-JLPGSUDCSA-N 329.443 5.887 30 40 EKEB N#Cc1c(-c2cccs2)c2c([nH]c1=S)CC[C@H](c1ccccc1)C2 377112 KWVLDPUENROASN-AWEZNQCLSA-N 348.496 5.617 30 40 EKEB C#CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2061141 VMXYJQOMYWOXTO-UHFFFAOYSA-N 326.424 5.013 30 40 EKEB O=C(O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 3107336 BUHQCSFUKIHOBT-OEAKJJBVSA-N 325.367 5.442 30 40 EKEB Cc1ccc2nc(-c3ccc(NC4=CC(=O)CCC4)cc3)sc2c1 5571152 UVQIUNSFDBDYGO-UHFFFAOYSA-N 334.444 5.321 30 40 EKEB CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9049439 ARKMEOWKBIQCEH-ODLFYWEKSA-N 340.806 5.301 30 40 EKEB CCCCCCCC/C=C/CCCCCCCc1cc(O)cc(O)c1 85832175 DQSWQRFGZIJUCI-MDZDMXLPSA-N 346.555 7.288 30 40 EKEB CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC 85846680 ILUGNSBVAUHPIN-HXUWFJFHSA-N 342.564 6.172 30 40 EKEB Clc1ccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)cc1 102419306 GBGHQSISOYWQPU-LPYMAVHISA-N 332.790 5.899 30 40 EKEB CCCCCCCCCCCCCCOc1ccc2ccccc2c1 104134582 CPBIQBDVBWEYQK-UHFFFAOYSA-N 340.551 7.920 30 40 EKEB N#Cc1ccc(OC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 1590803 RJCVSFVWRQPMBO-UHFFFAOYSA-N 341.581 5.129 30 40 EKEB CCCCCCCCOc1ccc(/C=N/c2ccc(C#N)cc2)cc1 2584477 OUUJTVZTPFJGMR-HKOYGPOVSA-N 334.463 6.048 30 40 EKEB endogenous,in-man CCCCCCCCOC(=O)c1sc2nc(C)c(C)c(C)c2c1N 3625141 IGLSGCJHCNMDGO-UHFFFAOYSA-N 348.512 5.321 30 40 EKEB N#Cc1ccc(-c2ccccc2Cl)nc1Oc1ccc(F)cc1F 4050069 FYPPAHHBCUIPQJ-UHFFFAOYSA-N 342.732 5.344 30 40 EKEB Cc1ccc([C@@H](CC/N=C/c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4859405 AZIRMXJZJODAMB-UUPNMYHRSA-N 349.518 5.793 30 40 EKEB O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)C1 5224668 DEBQXYKYKLYOKB-AWEZNQCLSA-N 347.336 5.028 30 40 EKEB CC1=CC(C)(C)N(C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 223471969 DZTBTQYLWXFIFU-HAHDFKILSA-N 333.479 5.135 30 40 EKEB C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 409207092 OTHNCCAPTGJNSA-UHFFFAOYSA-N 342.653 5.824 30 40 EKEB COc1ccc([N+](=O)[O-])cc1/C=N/c1ccc(-c2ccccc2)cc1 60053 ZJRLZALSZRFIKE-KGENOOAVSA-N 332.359 5.021 30 40 EKEB N#C[C@@]1(c2nc3ccccc3s2)C[C@@H]1c1ccc(Cl)cc1Cl 2625038 UYINWSGGEKJDLS-PXAZEXFGSA-N 345.254 5.552 30 40 EKEB O=C1/C(=C\c2ccccc2)[C@H]2[C@H]3CC[C@H](C3)[C@H]2/C1=C\c1ccccc1 4934309 RXHFKIIFRXWRMR-BULKISLWSA-N 326.439 5.399 30 40 EKEB Cc1cc(/C=N/Nc2ccc3ccccc3c2)c(C)n1CC(F)(F)F 5576611 MWLFDYVIHRIAAD-FOKLQQMPSA-N 345.368 5.266 30 40 EKEB CN1[C@H](c2ccccc2)CC(=Nc2ccccc2)C[C@@H]1c1ccccc1 16940746 UVHKUWLZFPTNRD-PSWAGMNNSA-N 340.470 5.967 30 40 EKEB Cc1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 59501489 PAQRDSGZOVOCOL-AFUMVMLFSA-N 340.470 5.883 30 40 EKEB CCCCCCCN(CCCCCCC)C(=S)Nc1ccccc1 104120375 KRQMUERSVCDEAV-UHFFFAOYSA-N 348.600 6.626 30 40 EKEB CCCCCCCCCCCCCCCC(=O)OCC(=O)OC 104192888 OOMCGVPMVNOQGP-UHFFFAOYSA-N 328.493 5.184 30 40 EKEB N#Cc1cn(C(=O)/C=C/c2cccc(Cl)c2Cl)c2ccccc12 226362299 SQFQUKPENIJFQW-CMDGGOBGSA-N 341.197 5.173 30 40 EKEB Cc1nc(/C(O)=N/c2ccccc2Cl)cc2c1[nH]c1ccccc12 5730239 VVQRDYQMLKYOBM-UHFFFAOYSA-N 335.794 5.314 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 16427864 WYDHHTMHLADBPU-FPLPWBNLSA-N 326.610 5.455 30 40 EKEB O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 16427870 ILZMHZWCRJZHSK-FPLPWBNLSA-N 326.610 5.455 30 40 EKEB CC[C@@H](C)Oc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl 409010340 JWVYYMXOSRZHCN-KIHMUJGBSA-N 336.262 6.230 30 40 EKEB Cc1cc(C)c(N/N=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)c1 4175566 RZFZLPJCFPMXOP-HAVVHWLPSA-N 346.459 5.075 30 40 EKEB Cc1ccccc1Oc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 6504810 SPRAASPZZLSMAV-OEAKJJBVSA-N 331.415 5.860 30 40 EKEB O=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1 32100052 CJHWTYVEIFQMQR-CABHBREESA-N 327.387 5.911 30 40 EKEB CCCCCCCC/C=C/CCCCCCCCN1CCOCC1 60257682 OSNVKHBQAYVRFA-MDZDMXLPSA-N 337.592 6.356 30 40 EKEB Clc1cccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1 408910035 IUTXWABKHISMGP-KEBDBYFISA-N 325.751 5.079 30 40 EKEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1 5071368 NLEDPRHIQSRERF-CIAFOILYSA-N 345.233 5.015 30 40 EKEB O/N=C1\C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1 13541014 QWMMGJJMBIYAMK-AVEQMBOUSA-N 342.442 5.076 30 40 EKEB CCCCCCCCCCCCNC(=O)Nc1cc(C)ccc1C 104143890 ILQQBSQQZLPQCH-UHFFFAOYSA-N 332.532 6.346 30 40 EKEB CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253505476 QCPOUGYGVCEUFB-QVQFPCTNSA-N 328.540 6.181 30 40 EKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408756300 YQARJZRWGUVSQM-OEAKJJBVSA-N 345.446 5.112 30 40 EKEB CC(C)(C)c1ccc(/N=C\c2cccn2-c2cccc(C(=O)O)c2)cc1 409103160 BEOWETAKFVRVCP-HAHDFKILSA-N 346.430 5.224 30 40 EKEB CC(C)c1ccc(/C=N/c2ccc(I)cc2)cc1 561308 XXDYEMYMQRICOJ-WOJGMQOQSA-N 349.215 5.165 30 40 EKEB COc1ccc(CS/C(S)=N\c2ccc(Cl)c(C)c2)cc1 6484564 GNHNADPJZSDUJY-UHFFFAOYSA-N 337.897 5.508 30 40 EKEB CCCCCOc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59503441 YHMDCYWNCDYOKM-XSFVSMFZSA-N 339.464 5.311 30 40 EKEB C=CCc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(OCC)c1O 59678291 YREITUARECHCFZ-CIAFOILYSA-N 329.827 5.232 30 40 EKEB CCCCCCCCc1ccc(C(=O)Oc2ccc(OC)cc2)cc1 68568963 FZSNOJHKMJTIBP-UHFFFAOYSA-N 340.463 5.817 30 40 EKEB COc1ccc(/C(=N/c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 104132450 UXKVOBSXYDGOLY-QURGRASLSA-N 346.386 5.081 30 40 EKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409220464 ABEAACMESWWMJG-LFVJCYFKSA-N 331.463 5.582 30 40 EKEB Cc1ccc(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1 354797 VRGVDKIJVIIXBR-LPYMAVHISA-N 328.371 5.259 30 40 EKEB CCc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 4194409 LLQHLFXITRPLLJ-ACCUITESSA-N 336.818 6.059 30 40 EKEB C=CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 6295847 SHQSEMWDTCGLMJ-HAVVHWLPSA-N 329.399 5.794 30 40 EKEB CCCCCCCC/C=C\CCCCCCCCC(=O)C(F)(F)F 100168498 UWGWDWAUAHMRHB-KTKRTIGZSA-N 348.493 7.545 30 40 EKEB Brc1ccc(/C=N\CC23CC4CC(CC(C4)C2)C3)cc1 100846112 QFINZPOGDOXUPN-JAIQZWGSSA-N 332.285 5.084 30 40 EKEB CCCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCC 299888483 LIROAAHQIMWGKN-IZLCOFNUSA-N 340.548 5.948 30 40 EKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C 408621659 NCSQHUXNECCREP-ZRDIBKRKSA-N 349.861 5.952 30 40 EKEB C=CCCCCCCCCc1n[nH]c(SCc2ccccc2)n1 5830628 RBKNSIMVIVZFAH-UHFFFAOYSA-N 329.513 5.556 30 40 EKEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1Cl 6828956 AOQIRKXRNMRFGP-FPYGCLRLSA-N 343.156 5.491 30 40 EKEB Cc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 32100210 CLWHILSGNCHZQL-BUHFOSPRSA-N 347.845 6.124 30 40 EKEB FC(F)(F)Oc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 2133631 MRTXIDMUDRIKFK-DNTJNYDQSA-N 334.124 5.643 30 40 EKEB C[C@@H](CN1CCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 6437173 SFALPZNMBQNSLE-FQEVSTJZSA-N 332.491 5.008 30 40 EKEB O=C(/C(=N\N=C/c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 12338999 KWQRBQAHDAEYIK-LRDAXYDYSA-N 346.817 5.046 30 40 EKEB COc1ccc(C2=C(Nc3cccc(C)c3)c3ccccc3C2=O)cc1 101093147 NKCJQQQITWVVOK-UHFFFAOYSA-N 341.410 5.180 30 40 EKEB C[C@]1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 118918047 NDJUVJCBLCBNQW-DYDGGYCISA-N 330.512 5.003 30 40 EKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(C2CCCCC2)c1C 408741124 NZUUNHIPUDOWNI-FYJGNVAPSA-N 339.439 5.577 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 408767552 YKXXZKJXGJQZFH-BUVRLJJBSA-N 330.475 6.024 30 40 EKEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408965153 GNYVVMLSVPBFPF-XYGWBWBKSA-N 344.502 6.451 30 40 EKEB COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1OC(C)C 409009500 ANPVJMWFHGEYGC-JMIUGGIZSA-N 338.234 5.540 30 40 EKEB Clc1ccc(/N=C2/S/C(=N\C3CCCC3)C3=C2CCCC3)cc1 383305 OXQCCHGAUVLVJT-JXDXAWHESA-N 344.911 6.329 30 40 EKEB CC(C)c1ccc(C(=O)/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1 51318702 QDXFENFKSHBGEP-VAWYXSNFSA-N 349.352 5.517 30 40 EKEB CCCCCCCCc1ccc(NC(=O)c2ccc(CC)cc2)cc1 68568948 XWMQSIXGADEPDX-UHFFFAOYSA-N 337.507 6.404 30 40 EKEB Cc1cc(Br)ccc1/N=C\c1ccc(N2CCCC2)cc1 101749923 CZRBLKNOIOKBDK-MOSHPQCFSA-N 343.268 5.108 30 40 EKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(F)c2)c1C 140921585 CPLYAWPQDFBIJA-ZVHZXABRSA-N 334.438 5.855 30 40 EKEB Clc1ccc(-c2ccc(/C=N\Nc3ccccn3)o2)cc1Cl 408730111 NJRIJULZKOMQNK-JMIUGGIZSA-N 332.190 5.094 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)c1 408765031 YTOBGPFRFIAQBH-HAHDFKILSA-N 331.463 5.219 30 40 EKEB C=CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl 409201898 OZMZXWTZKURTBC-SRZZPIQSSA-N 334.246 5.926 30 40 EKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1 58398 SVHBTMKXNGEOTQ-IFRROFPPSA-N 334.124 5.468 30 40 EKEB CCCCOC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 3080283 ZTQFYZOAZKFHAF-HZHRSRAPSA-N 347.414 5.253 30 40 EKEB C=CCCCCCCCCC(=O)Nc1cccc(C(=O)OCC)c1 4659275 GDWUPVQSEFGCPM-UHFFFAOYSA-N 331.456 5.109 30 40 EKEB Cc1ccc(COc2cccc(/C=N\c3cc(Cl)ccc3C)c2)cc1 409215723 AKYDJYZCTHFMFN-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB CCN(CC)c1ccc(/C=N/c2ccc(C)c(Br)c2)cc1 3181523 NENVWZZFJICDLT-DEDYPNTBSA-N 345.284 5.354 30 40 EKEB CN(c1ccc(/C=N/C[C@@H]2CCCO2)cc1)c1cccc2ccccc12 3216650 KMDQQGYCGTZUCM-DOZBRYHWSA-N 344.458 5.206 30 40 EKEB Cc1ccc(N/N=C2/Sc3ccc4ccccc4c3C2=O)c(C)c1 4499528 QQUINUZRUCXYNB-LSDHQDQOSA-N 332.428 5.171 30 40 EKEB COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 5916373 UTIBSRWRTRNAAD-FYWRMAATSA-N 344.410 5.267 30 40 EKEB O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc(O)cc1 6889675 LZRWFXKYGSMUJB-LPYMAVHISA-N 335.790 5.027 30 40 EKEB O=C(/C=C/c1ccccc1)c1cccc(C(=O)/C=C/c2ccccc2)c1 13402971 KFLSRZNJOXWKIK-YXLFCKQPSA-N 338.406 5.479 30 40 EKEB CCCCCCCNCc1cccc(OCc2ccccc2F)c1 102568211 MWKAPOHZLBHPAX-UHFFFAOYSA-N 329.459 5.465 30 40 EKEB Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C#N)sc3n2)cc1 271107 YDPONSLXMCKJKR-UHFFFAOYSA-N 341.439 5.393 30 40 EKEB FC(F)(F)C/N=C(\Sc1ccc(Cl)cc1)c1ccccc1 495287 OSFYLHUQTMPYGI-ZHZULCJRSA-N 329.774 5.441 30 40 EKEB FC(F)(F)c1cccc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)c1 6048256 UDZHHKBOQVMASB-UFFVCSGVSA-N 347.365 5.114 30 40 EKEB CCC(=O)c1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 6509670 DYNLTMBFZCSWSG-UHFFFAOYSA-N 334.202 5.037 30 40 EKEB CCCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br 6941738 LJCAEZKQCCSIDN-UDWIEESQSA-N 346.268 5.605 30 40 EKEB N#Cc1c(N)nc2sc(Oc3ccccc3)cc2c1-c1ccccc1 24983978 AEFTZZNEZKKGLW-UHFFFAOYSA-N 343.411 5.209 30 40 EKEB Cc1sc(N/N=C/c2ccccc2Cl)nc1-c1ccccc1 38706214 UKSGPEOMFYHNMY-YBFXNURJSA-N 327.840 5.218 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(F)cc2Cl)cc1 44843160 OFVBKXYLSOSGDS-ZHACJKMWSA-N 347.817 5.467 30 40 EKEB C=CCOc1ccc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 223108301 BJBABPKOSQTAOA-QFIPXVFZSA-N 349.474 5.011 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(C)cc3)cc21 223480445 UKZOPWTXPOAKOD-BUVRLJJBSA-N 332.491 6.156 30 40 EKEB Cc1ccc(N=C2C=CC(C)(C(Cl)(Cl)Cl)C=C2)cc1C 42706 DZLQEGDECGAHQG-UHFFFAOYSA-N 328.670 5.878 30 40 EKEB COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1Cl 58403 KRIUSJUDMDBZKK-CNHKJKLMSA-N 330.598 5.112 30 40 EKEB CC/C(=N/NC(=S)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 38204462 BSJJXGWEPDRSAE-FXBPSFAMSA-N 345.899 5.058 30 40 EKEB Oc1ccccc1/C=N/c1ccc(SCc2ccc(F)cc2)cc1 100457322 ROEOXJZEWAIUSU-LPYMAVHISA-N 337.419 5.574 30 40 EKEB CCCCCCCCCCCC(=O)OC12CC3CC(CC(C3)C1)C2 145810982 YLYDLTZRJVWTRM-UHFFFAOYSA-N 334.544 6.419 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2C(C)=CC1(C)C 198162020 DOOGNIGHVJRPKQ-BUVRLJJBSA-N 332.491 6.076 30 40 EKEB FC(F)(F)c1ccc(N/N=C\c2ccc(Cl)cc2Cl)cc1 408932906 FQRSULFIZALCLN-ZBKNUEDVSA-N 333.140 5.458 30 40 EKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1 409212720 PXISHWVHXPNPEA-BUVRLJJBSA-N 345.442 5.642 30 40 EKEB Cc1ccc(-c2nc3cc(/N=C/c4cccc(F)c4O)ccc3o2)cc1 1434409 HKZMGKUBKBSEGR-FSJBWODESA-N 346.361 5.399 30 40 EKEB COc1ccc(/N=C(/NC(C)(C)C)SCc2ccccc2)cc1 2768754 UOCZSPFMBPXAFI-UHFFFAOYSA-N 328.481 5.004 30 40 EKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 2913054 IZCRCDYBYAYEDN-HYARGMPZSA-N 337.492 5.095 30 40 EKEB O=C(/C=C/c1ccc(OC(F)F)cc1)CC12CC3CC(CC(C3)C1)C2 13960093 GAKHUAWVMQGYDX-DAFODLJHSA-N 346.417 5.477 30 40 EKEB CCCCCCCCCCCCCCCC[C@H](NC(C)=O)C(=O)O 78846896 CWDGHGHIHCDSCH-IBGZPJMESA-N 341.536 5.447 30 40 EKEB CC1(C)COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2OC1 225371638 AHSAHPFZUYSLTC-WEVVVXLNSA-N 342.822 5.034 30 40 EKEB CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1 299803668 NYIIMCUQDTTYJB-KDNFAQGPSA-N 337.551 7.219 30 40 EKEB CCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 5459719 HLJIHNNLYULABJ-ZDUSSCGKSA-N 332.513 5.290 30 40 EKEB C[C@H]1CCc2sc(NC(=O)c3cccc4ccccc34)c(C#N)c2C1 5920806 TVYMBOMENTWZLU-ZDUSSCGKSA-N 346.455 5.150 30 40 EKEB Cc1ccc(C(=Nc2c(C)cc(C)cc2C)c2ccc(C)cc2)cc1 3176950 NIKRMDPOPLGLMY-UHFFFAOYSA-N 327.471 6.398 30 40 EKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1C 14081841 IGDKLOYNDKDBKL-UHFFFAOYSA-N 335.476 5.040 30 40 EKEB N#CC(=O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 104119833 RCAYZNQFAMDCSG-UHFFFAOYSA-N 348.405 5.722 30 40 EKEB FC(F)(F)c1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 104211085 YKFGPXWFMFQQHT-OYKKKHCWSA-N 341.332 6.248 30 40 EKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccccc1 4309468 WKSSFICFIJWVKB-QHCPKHFHSA-N 325.411 5.513 30 40 EKEB C/C(C(=O)c1ccccc1)=C(/CC(=O)c1ccccc1)c1ccccc1 4452639 FYYVLSINTMLUQR-RELWKKBWSA-N 340.422 5.616 30 40 EKEB CCCCCCCCCCCCCCCCNC(=O)CCC(=O)O 96021860 KHXMBINBXPYXJG-UHFFFAOYSA-N 341.536 5.449 30 40 EKEB CCCCCCCOc1ccc(/C(=N\O)c2ccc(F)cc2)cc1 103016735 FUHMWBVZGZEFAI-XDOYNYLZSA-N 329.415 5.402 30 40 EKEB Cc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223548333 LRULLEVHGXBDFK-LSPPGFKNSA-N 334.507 6.246 30 40 EKEB C=CCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 408563480 NGMOMIVTPSUXAW-VQHVLOKHSA-N 348.229 5.210 30 40 EKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C#N)cc2)cc1OC 409387844 SBUQLSSWLOMFGZ-AEOXGOBCSA-N 342.826 5.148 30 40 EKEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C(/C)c1ccccc1 4016932 CWZHXNXJIFCDGG-XYGWBWBKSA-N 342.446 5.017 30 40 EKEB O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1c1ccccc1 33361270 KOFGKLPEEQNMBI-HOOMGSECSA-N 346.411 5.088 30 40 EKEB Cc1cc(C)c(Nc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 45158 GNJSOVHDRBJGIA-UHFFFAOYSA-N 340.430 5.336 30 40 EKEB OC1=N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccco1 6925653 BHQRPHQIVPXTCQ-YRNVUSSQSA-N 339.203 5.318 30 40 EKEB CC(C)CN(/C=N/c1sc2c(c1C#N)CCCCC2)CC(C)C 17967093 NEPJPYLPBJZQEA-FYJGNVAPSA-N 331.529 5.162 30 40 EKEB Sc1ccccc1/N=C\c1ccc(/C=N/c2ccccc2S)cc1 104192205 RQZGVAGCRIEKLM-VOKWCDJLSA-N 348.496 5.765 30 40 EKEB CCc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 409211690 MTHDFGPGTFPRRM-IWIPYMOSSA-N 333.406 5.718 30 40 EKEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 4921845 WCLOAWONWVJJOP-CIAFOILYSA-N 329.230 5.983 30 40 EKEB O=C(/C=C\c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1O 17313779 BKAQLPYRQWWKRT-DJWKRKHSSA-N 327.594 5.249 30 40 EKEB O=C1/C(=C2\C(=O)c3cccc4cccc2c34)c2cccc3cccc1c23 31623671 DOTLEUORWLAKLE-DQRAZIAOSA-N 332.358 5.296 30 40 EKEB O=C(/C=C/c1csc(-c2ccsc2)n1)c1cc2ccccc2o1 63275633 SYADMQBJVBXBOC-AATRIKPKSA-N 337.425 5.514 30 40 EKEB CCCCCCCCC#CCCCCCCCCCCCC(=O)O 78102507 VUXNZDYAHSFXBM-UHFFFAOYSA-N 336.560 7.116 30 40 EKEB CCCCCCCCCCCCCC(=O)c1ccc(SC)cc1 101474977 JXPGDMPMBAPHIO-UHFFFAOYSA-N 334.569 7.292 30 40 EKEB CCOc1ccc(/N=C/C2=C3N(CCC2)c2ccccc2C3(C)C)cc1 5332874 OYKRZHDYDUWJAV-LFVJCYFKSA-N 346.474 5.633 30 40 EKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 6941594 LWKXIVNWCXBOTD-DEDYPNTBSA-N 346.268 5.551 30 40 EKEB CN(C)c1ccc(-n2cccc2/C=N\c2ccc(C(C)(C)C)cc2)cc1 408849293 ZDVITRMLSYUCCW-ULJHMMPZSA-N 345.490 5.591 30 40 EKEB CC(=O)c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 65711 RTEPXVCWGZNCPF-HZHRSRAPSA-N 329.399 5.219 30 40 EKEB CCCCCCC(=O)/C=C/c1cc(Cl)cc(Cl)c1OCOC 2024978 VMTNNDCMNUKHDE-CMDGGOBGSA-N 345.266 5.529 30 40 EKEB COc1ccccc1Oc1ncc(-c2cccc(Cl)c2)cc1C#N 3133106 CPCALXRXYZYSPA-UHFFFAOYSA-N 336.778 5.075 30 40 EKEB C/C(=N\OCCOc1ccccc1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 4084880 ORKWGMPNXNPHAW-CPXKFIDQSA-N 337.463 5.385 30 40 EKEB Fc1cccc(Cl)c1/C=N\N=C1c2ccccc2-c2ccccc21 13703971 GDDPFPHCLQALSU-FMCGGJTJSA-N 334.781 5.331 30 40 EKEB in-vitro CN(C)/C=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O 29763591 CZLNUOUWSSNILK-BYIUCRAPSA-N 346.257 5.157 30 40 EKEB O=C1c2ccccc2[C@]2(c3ccccc3)O[C@@]12c1cccc2ccccc12 100710371 CNCXDAYVPAKAQI-DQEYMECFSA-N 348.401 5.205 30 40 EKEB CCCCCCCCN(CCCCCCCC)C(=O)c1ccccn1 100925698 QVDBZTQHPGRVOD-UHFFFAOYSA-N 346.559 6.245 30 40 EKEB CCC(CC)O/C(=N\c1cc(Cl)cc(Cl)c1)c1cncn1C 100937855 KOVNGMNOVKTBNL-SILNSSARSA-N 340.254 5.010 30 40 EKEB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(C#N)cc3)C2=C(O)C1 102437846 UMGJYIJYKBZCFZ-NRFANRHFSA-N 343.430 5.430 30 40 EKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 102567630 PHXNYLNIVIGTEQ-UHFFFAOYSA-N 345.914 5.979 30 40 EKEB C[C@H]1C/C(=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 5505516 LRQLZZCNRGVQPM-WBWSGGQMSA-N 343.349 5.228 30 40 EKEB COc1ccc(-n2cccc2/C=N/c2cccc3ccccc23)cc1 59104309 WBUZDIUBVDVXKH-XQNSMLJCSA-N 326.399 5.390 30 40 EKEB Cc1cccc2cc(/C=C/C(=O)c3cccc(F)c3)c(Cl)nc12 97073430 CBRYJXHKXURRCK-CMDGGOBGSA-N 325.770 5.232 30 40 EKEB CN/C(=N\c1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 20404800 FLBXMTKZLLTQRY-UHFFFAOYSA-N 348.060 5.598 30 40 EKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccccc1C 59489026 CNBBOLBQYMAADW-FOWTUZBSSA-N 344.252 5.346 30 40 EKEB CCCCCCCCCCNC(=S)N(CC)Cc1ccccc1 59662566 HVHDTOAHRCRYFG-UHFFFAOYSA-N 334.573 5.524 30 40 EKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] 100116560 NLMCUUBZGIAOMG-BKUYFWCQSA-N 333.391 5.061 30 40 EKEB CCCCCCCc1ccc(C(=O)NCc2ccc(F)cc2)cc1 100984509 SSWLCZJSQZHENG-UHFFFAOYSA-N 327.443 5.269 30 40 EKEB N#Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 216852425 UULPEFUMVQPOEN-UHFFFAOYSA-N 328.198 5.597 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223541132 BINMLZAZTJMPFW-DZIKBWIISA-N 340.898 6.203 30 40 EKEB C=CCOc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 408573345 BYPDJNJPZRQAAT-LTGZKZEYSA-N 345.398 5.024 30 40 EKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCCC 409134256 OKYZKLKOMRWENU-UHFFFAOYSA-N 339.479 5.441 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)cc1 409187372 PPKBGCKLIONYKD-LFVJCYFKSA-N 346.474 5.806 30 40 EKEB C=C(C)COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 8570661 WLRUIDIUYAXJKR-UHFFFAOYSA-N 336.218 5.201 30 40 EKEB CCCCCCCCCCCC(=O)N(C)CCCCCC(=O)O 100921890 VHTDUEDNSRQHMJ-UHFFFAOYSA-N 327.509 5.011 30 40 EKEB CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2[C@H](C)CC1(C)C 198099316 ONZWYFZWZWTUJF-LSPPGFKNSA-N 334.507 6.166 30 40 EKEB N#Cc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1 165904 ASGHPLTXFPBKTR-UHFFFAOYSA-N 332.215 5.051 30 40 EKEB Cc1cc(Cl)c(O)c(/C=N/c2ccccc2N2CCCCC2)c1 569781 QNAIMODZTIUXSN-FYJGNVAPSA-N 328.843 5.095 30 40 EKEB O=C(/C=C/c1ccccc1)c1ccc(Cl)cc1OCc1ccccc1 5279053 LJYHBDMOEFLGAD-SDNWHVSQSA-N 348.829 5.815 30 40 EKEB O=C(/C(=C/c1ccccc1)c1nc2ccccc2s1)c1ccccc1 5578574 FXZGIAFCYKFCDE-SDXDJHTJSA-N 341.435 5.720 30 40 EKEB O=C(/C=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1ccccc1 7714906 SANQMGJQDWWTDE-NTEUORMPSA-N 334.802 6.028 30 40 EKEB O=C(/C=C\c1ccccc1)c1cccc(C(=O)/C=C/c2ccccc2)c1 13402966 KFLSRZNJOXWKIK-QUDUTFMFSA-N 338.406 5.479 30 40 EKEB COc1ccc2c(c1)Cc1sc(/N=C/c3cccc(Cl)c3)nc1-2 15226339 SZOIOSRFTDRUKZ-KEBDBYFISA-N 340.835 5.127 30 40 EKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc(Cl)cc1 59302471 HFHHVTORWIUPAX-UDWIEESQSA-N 339.782 5.098 30 40 EKEB CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 97966126 XGOHLQCHAGLKHP-AOHZBQACSA-N 349.518 6.008 30 40 EKEB CCN1c2ccc(/C=N/c3ccccc3OC)cc2C(C)=CC1(C)C 198159162 KNKNOXVMTBZCRK-HZHRSRAPSA-N 334.463 5.468 30 40 EKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1C 408776171 UTMBUFVZKDXFDR-MFKUBSTISA-N 346.518 5.860 30 40 EKEB CCOc1cc(C)c(/C=N/Nc2ccc3ccccc3n2)cc1C(C)C 408850903 GCYUUJDRVKPFJE-OEAKJJBVSA-N 347.462 5.511 30 40 EKEB C#CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1Cl 409120802 UKHQRYKQPIEOGL-UHFFFAOYSA-N 334.246 5.234 30 40 EKEB Cc1cccc(/N=C/c2ccccc2OCc2ccccc2F)c1C 409215433 YQXQKZAXBCUYNM-ZVHZXABRSA-N 333.406 5.772 30 40 EKEB Cc1cc(/N=C/c2cccc(Cl)c2Cl)n(-c2ccc(F)cc2)n1 3246066 SEAXJWSSHOYOQI-UFFVCSGVSA-N 348.208 5.377 30 40 EKEB CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)Nc2ccccc2)C1 4741318 PCBBNFJFWPKKAL-UHFFFAOYSA-N 349.434 5.016 30 40 EKEB CCc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)cc1 5823281 WXFQFGYWFJJAPX-OEAKJJBVSA-N 346.430 5.105 30 40 EKEB CCCCCCC(/C=N\N=C/c1ccccc1O)=C\c1ccccc1 16919617 UJUCPIUMNCWTEH-FPJQFRICSA-N 334.463 5.851 30 40 EKEB Cc1oc(/N=C/c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 408722935 IKTNZIMOMLNKSM-YDZHTSKRSA-N 330.387 5.098 30 40 EKEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 109537 NGBRDJLJZLPXEH-QFIPXVFZSA-N 346.474 5.471 30 40 EKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccco1)Nc1ccc3ccccc3c12 293579 FXETTWCKRHZRDB-QFIPXVFZSA-N 343.426 5.742 30 40 EKEB CC1(C)C[C@@H]([C@@H](CC/N=C/c2ccccc2)c2ccccc2)CCO1 100098662 VSHGZYNYQYFIKY-PMZCVSDMSA-N 335.491 5.485 30 40 EKEB Oc1ccc2ccccc2c1/C=N/CC12CC3C[C@H](CC[C@@H](C3)C1)C2 100906958 DOYBWORBPPFDRB-KIVWDKRKSA-N 333.475 5.571 30 40 EKEB CCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1 102568153 OFFNKTXDCNKMIO-UHFFFAOYSA-N 345.914 5.979 30 40 EKEB CCN1c2cc(C)c(/C=N/Nc3ccccc3)cc2[C@H](C)CC1(C)C 208322460 LXSVGQUNNFSVLE-HAFIMRKLSA-N 335.495 5.553 30 40 EKEB CCCCC/C=C/C/C=C/C=C/C=C\[C@@H]1O[C@@H]1CCCC(=O)OC 223647927 WTKAVFHPLJFCMZ-NKIDDGIRSA-N 332.484 5.292 30 40 EKEB in-vitro Cc1ccccc1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 409215101 ZTGINXSJVOUZDP-UCQKPKSFSA-N 335.834 5.978 30 40 EKEB c1ccc(C/C(=N\Nc2ccccc2)c2cccc3ccccc23)cc1 4701196 PUHONFCWYSYNBO-SHHOIMCASA-N 336.438 5.899 30 40 EKEB CO[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 5707468 MPUDTZVWARYYCZ-CRSSMBPESA-N 345.527 5.287 30 40 EKEB CCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 6225208 MOMPVYUBUXUIOH-UHFFFAOYSA-N 327.383 5.007 30 40 EKEB COc1ccccc1CN/N=C/c1c2ccccc2cc2ccccc12 20762295 MZNVVOHSLNTOFP-PCLIKHOPSA-N 340.426 5.125 30 40 EKEB CCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 97941850 RKVNQPSVVSJHCA-UHFFFAOYSA-N 334.460 5.763 30 40 EKEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(N2CCCC2)cc1 197693243 WZKALVWNNJAHIV-HKOYGPOVSA-N 326.443 5.704 30 40 EKEB C/C(=N\N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 4299663 IORKPAAAIQLYFG-RPCRKUJJSA-N 336.438 6.226 30 40 EKEB Fc1ccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c(F)c1 6049236 XLCQHSHAHIAVSV-ZMOGYAJESA-N 347.368 5.559 30 40 EKEB COc1ccc2c(C)cc(N/N=C\c3cccc4ccccc34)nc2c1 31769283 GVRRAPUTANBYSC-UCQKPKSFSA-N 341.414 5.151 30 40 EKEB CCOc1ccc(/N=C\c2ccccc2OC(=O)c2ccccc2)cc1 104160683 ZBRWMEBYLZZJJU-KQWNVCNZSA-N 345.398 5.055 30 40 EKEB CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 198078097 SSKIKCQKHGFNFP-SYXCRGJESA-N 334.507 6.283 30 40 EKEB CCCCc1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409117237 NXVKNWFXHBMRGX-XQNSMLJCSA-N 346.430 5.269 30 40 EKEB Cc1cccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1C 409202650 SLGBWVJODMESQB-OYKKKHCWSA-N 349.861 6.286 30 40 EKEB N#Cc1c(/N=C/c2cccnc2)oc(-c2ccccc2)c1-c1ccccc1 502593 CXMXEQWYRDMYFQ-WGOQTCKBSA-N 349.393 5.631 30 40 EKEB Cc1cc(N/N=C/c2ccccc2C(F)(F)F)nc2ccccc12 5006867 HVXQAABIBUOHIW-SSDVNMTOSA-N 329.325 5.008 30 40 EKEB CCCCCCCCCC(CO)(CO)CCCCCCCCC 59608579 QDZMCSOMPXENEE-UHFFFAOYSA-N 328.581 6.239 30 40 EKEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(SC(F)F)cc1)C2 100261730 DBYWPCBBWJUTBP-XIKOKIGWSA-N 337.435 5.322 30 40 EKEB CCCCCCCC[C@H]1[C@H](CCCCCCCC(=O)OC)N1C 169805639 ZDSHEDCEQBPCFU-CHEUHSMRSA-N 325.537 5.323 30 40 EKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ccccc2)c1C 408591472 UEZPGKXVFSCMBF-LPYMAVHISA-N 337.854 5.502 30 40 EKEB Cc1ccc(/C=N/c2ccc(C)c(/N=C/c3ccc(C)s3)c2)s1 3238746 FWOCCOHGFSSSQW-HGEIODPWSA-N 338.501 6.236 30 40 EKEB O=C(/C=C/Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 4714853 IXERYVLGVPLITO-ZHACJKMWSA-N 342.225 5.955 30 40 EKEB CN(C)c1ccc(/C=N/c2c3ccccc3nc3ccccc23)cc1 5319343 AGQPHDFXCPBTEV-HZHRSRAPSA-N 325.415 5.205 30 40 EKEB O=C(/C=C(/C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 12368707 PNZSYMGEZQXESH-HMMYKYKNSA-N 346.813 5.489 30 40 EKEB C/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1 33561114 LPCVPJOLWGARSZ-JCMHNJIXSA-N 336.435 5.269 30 40 EKEB CCCCCCCCCCC/C(=N\NC(N)=S)c1ccc(C)cc1 100166615 YBZGYGYCOCLFPE-ZBJSNUHESA-N 347.572 5.453 30 40 EKEB CCc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223563381 IYDYLIKKGBQQIA-OAKZWBAKSA-N 348.534 6.500 30 40 EKEB C=CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 408730307 PHQREFLWWUQVBZ-VJZPTHRXSA-N 346.455 5.033 30 40 EKEB Cc1cccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)c1 408754345 MVCMTOBFCJIEKB-YDZHTSKRSA-N 336.866 6.115 30 40 EKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC 409120108 VERBDDVDBMVNAH-UHFFFAOYSA-N 336.262 5.733 30 40 EKEB Cc1ccccc1/N=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409201241 KTRBANOZBVZDAO-UCQKPKSFSA-N 345.398 5.023 30 40 EKEB CCCCCCOc1cc(C#N)c(OCCCCCC)cc1C#N 2179655 FQDAXJHACIALFQ-UHFFFAOYSA-N 328.456 5.348 30 40 EKEB Cc1ccc([C@@H]2CC(=O)C=C(Nc3cc(Cl)cc(Cl)c3)C2)cc1 5942475 FSJPHKSMVDIBEH-AWEZNQCLSA-N 346.257 5.744 30 40 EKEB COc1c(Cl)cc(Cl)cc1/C=N/c1sc(C)c(C)c1C#N 13563737 AQCYDHJHQGRGQX-FBCYGCLPSA-N 339.247 5.303 30 40 EKEB CCCCCCCOc1ccc(-c2ccc(C#N)c(Cl)n2)cc1 3201398 ZQWYYVYONRBYEU-UHFFFAOYSA-N 328.843 5.623 30 40 EKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(-c3ccccc3)cc1)C2 4577557 AOWSCJKKFKCUOW-CIDYERKESA-N 347.458 5.713 30 40 EKEB CC(C)c1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 5522973 JWYOFGIKNRRFNG-UHFFFAOYSA-N 347.443 5.057 30 40 EKEB CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 60194306 VCYXELFOIWRYLA-UHFFFAOYSA-N 335.491 6.745 30 40 EKEB in-vitro C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCC 409110879 HKXLYQOADMGOJS-UHFFFAOYSA-N 325.452 5.133 30 40 EKEB Cc1ccc(C(=O)/C=C/Nc2ccc(Nc3ccccc3)cc2)cc1 409177478 FRABQQZAFQMDDD-FOCLMDBBSA-N 328.415 5.547 30 40 EKEB C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(C)cc1 4957161 AWZXLYHEORPYOG-CJLVFECKSA-N 335.476 5.571 30 40 EKEB Cc1ccccc1/N=C/c1ccccc1OCc1ccccc1Cl 8570934 IAOOKBPUBTXZDR-OEAKJJBVSA-N 335.834 5.978 30 40 EKEB CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9195962 UMCOLPSXACBZMV-UFFVCSGVSA-N 346.261 5.092 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1Cl 409014631 XSILPJUUJYZGJJ-ASKIBSTCSA-N 338.234 5.627 30 40 EKEB O=C(/C=C/O/C=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2146233 ANKYQIIKTOHXQJ-WGDLNXRISA-N 347.197 5.103 30 40 EKEB c1ccc(Oc2ccc3nc(/N=C4\CCCCCN4)sc3c2)cc1 2659643 BEBKXOTUJUGLND-UHFFFAOYSA-N 337.448 5.282 30 40 EKEB C=C(C)C[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC 4426728 SBRJFDJPIAPOCA-MYDTUXCISA-N 335.491 5.186 30 40 EKEB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)COCCC#N 8579829 KNDKKHHPKWWADZ-XPWALMASSA-N 339.523 5.751 30 40 EKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(C)cc2Cl)cc1 44843252 XFIKDDSETCJYAS-VAWYXSNFSA-N 343.854 5.636 30 40 EKEB CCCCCCCC(=O)Nc1ccc(C(=O)NCCCCCC)cc1 98001387 LKZNJKJQADPGNC-UHFFFAOYSA-N 346.515 5.296 30 40 EKEB biogenic CCCCc1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 165749396 UJJDDJVLTBGEKI-HAVVHWLPSA-N 332.447 5.579 30 40 EKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccccc2C(F)(F)F)C1 408564353 ZFSDMDRXSUFQSN-FNDVETGQSA-N 339.401 5.807 30 40 EKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccccc3)cc2)c1 409093829 APAOMHSVZGVYNW-CCEZHUSRSA-N 345.398 5.296 30 40 EKEB Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC(C)(C)C[C@H]2C 3235414 PRXUBMOJTKQDOT-CYBMUJFWSA-N 338.476 5.256 30 40 EKEB CCN(CC)c1ccc(/C=N/c2nc(-c3ccccc3)c(C)s2)cc1 4421722 KQXPAXSRAFXCAV-PXLXIMEGSA-N 349.503 5.715 30 40 EKEB N#Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 11826967 SECAXTQQTQKPAR-UHFFFAOYSA-N 328.198 5.597 30 40 EKEB C=CCOc1c(Cl)cc(CNc2cccc(C)c2)cc1OCC 409113003 MZZMUHAOTOTRBO-UHFFFAOYSA-N 331.843 5.224 30 40 EKEB C=CCCCCCCCCC(=O)Nc1cc(Cl)ccc1Cl 4659196 UXUKXPKAYYKWRQ-UHFFFAOYSA-N 328.283 6.239 30 40 EKEB COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20242151 BBGHOGQWNCHTBC-PCLIKHOPSA-N 345.486 5.914 30 40 EKEB Cc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 33376643 SNVMHRUWKSPZTJ-NXVVXOECSA-N 328.411 5.470 30 40 EKEB C=CCc1cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc(OCC)c1O 59250466 YRPKWQLDQGJOKR-PFRBSUFTSA-N 337.463 5.784 30 40 EKEB N#C[C@H](c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl 91302215 MGFRJYXYYHULHP-SNVBAGLBSA-N 331.124 5.063 30 40 EKEB CCN1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2C(C)=CC1(C)C 223474070 JFFCPWARSOXSMY-JLPGSUDCSA-N 347.506 5.525 30 40 EKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccccc1Cl 409239934 OQXOBMVMTMVXKF-STZFKDTASA-N 328.843 5.090 30 40 EKEB C[Si](C)(C)C(F)(F)C(F)(F)Oc1cccc(C(F)(F)F)c1 1083805701 QZDPPYBFUNDGCX-UHFFFAOYSA-N 334.307 5.190 30 40 EKEB Clc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1Cl 45498 OQVKCXIBRMZBGR-REZTVBANSA-N 338.219 5.156 30 40 EKEB CCCCCOc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 4561752 CDASAOWYWKSXIA-CJLVFECKSA-N 333.435 5.250 30 40 EKEB CC(C)(C)C1CCC(=NOC(=O)c2ccc(Cl)c(Cl)c2)CC1 5613632 DWGMHPSYKDRVCZ-UHFFFAOYSA-N 342.266 5.743 30 40 EKEB CCCCCCCCCCCC(=O)Nc1nc2cc(C)ccc2s1 8445946 LLSSNZJFZYFJGD-UHFFFAOYSA-N 346.540 6.464 30 40 EKEB CCCCCCCCCCCCCC(=O)c1cc(Cl)ccc1C 101471803 QPTAVCRLFXMXIG-UHFFFAOYSA-N 336.947 7.532 30 40 EKEB CCCCCCCNCc1ccc(OCc2cccs2)c(OC)c1 105246078 DIHYKZTYSCKLSP-UHFFFAOYSA-N 347.524 5.396 30 40 EKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccccc3)cc21 223500368 WYHFLHWLGDNHFX-BUVRLJJBSA-N 332.491 6.156 30 40 EKEB O=C1/C(=C\c2ccc(Sc3ccccc3)o2)Sc2ccccc21 409321523 TURVWIBRJDIPJX-SFQUDFHCSA-N 336.437 5.760 30 40 EKEB CN(C)c1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 1233472 IOIUJDVHANFAQL-HZHRSRAPSA-N 340.430 5.047 30 40 EKEB CCCCc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2)s1 5863112 KWRRXSRJZPCHPE-RGVLZGJSSA-N 326.387 5.556 30 40 EKEB CCCCCSc1c(CC)c(C)c(C#N)c2nc3ccccc3n12 12648581 MFEYKGVLYNAQQJ-UHFFFAOYSA-N 337.492 5.512 30 40 EKEB C#CCOc1ccc([C@@H](CC)[C@@H](CC)c2ccc(OCC#C)cc2)cc1 17303453 HITRPXJUQPKJRE-PSWAGMNNSA-N 346.470 5.398 30 40 EKEB FC(F)(F)c1cccc(-c2ccc(/C=N/Nc3ccccc3)o2)c1 59109162 VGUPIEORRHAWBP-WSDLNYQXSA-N 330.309 5.411 30 40 EKEB CCCCCCCCCCCCCCC[n+]1ccc(/C=N\O)cc1 102296368 AWLGOKIBNAOLEP-UHFFFAOYSA-O 333.540 5.873 30 40 EKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 408918424 KIIQVLNMEOAYCT-LSHDLFTRSA-N 338.794 5.741 30 40 EKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(Cl)cc1 408926778 ZHPKRQOTXQBHLF-CIAFOILYSA-N 341.867 5.608 30 40 EKEB C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 552937 PLDGLSCJEDFVIM-UHFFFAOYSA-N 334.463 5.489 30 40 EKEB CCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1687888 VEJHBNSTZDNKOS-UHFFFAOYSA-N 338.447 5.440 30 40 EKEB CCCCCCCCSCS/C(=N/c1ccccc1)NC#N 3670061 VKTLEKQKLLRTTI-UHFFFAOYSA-N 335.542 5.529 30 40 EKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4853544 ZLBDQULKEYODCW-PKNBQFBNSA-N 333.343 5.059 30 40 EKEB O=C1CCCC/C1=C/Nc1ccc(Oc2ccccc2Cl)cc1 17783534 VNDWEYZVIFDKSQ-YPKPFQOOSA-N 327.811 5.571 30 40 EKEB CC1(C)C[C@](CC#N)(Cc2ccccc2)[C@@H](Cc2ccccc2)CO1 2282061 SIEWHMGJYVAERM-GMAHTHKFSA-N 333.475 5.187 30 40 EKEB C=CCSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 2415027 MEZSNAQNIACHIL-UHFFFAOYSA-N 340.473 5.135 30 40 EKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3C)c2C)cc1 3193074 PFHJPCCZRDPXLX-BUVRLJJBSA-N 346.474 5.860 30 40 EKEB C=CCSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 3625092 UDFNRUOHXWFDFE-UHFFFAOYSA-N 326.852 5.040 30 40 EKEB Clc1ccc(Cl)c(/N=C/c2sc3ccccc3c2Cl)c1 4154973 MEULQUZQHHXICH-UFWORHAWSA-N 340.662 6.612 30 40 EKEB CCc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 5551445 FEIIVAQWXHLBES-FQHLDWHWSA-N 348.471 5.087 30 40 EKEB Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1C 59248099 NJQYUXKXHQXGDH-YBFXNURJSA-N 347.256 5.010 30 40 EKEB Cc1cc2c(cc1/C=N/c1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223586997 PYVOGOABLRGRGA-LSPPGFKNSA-N 334.507 6.246 30 40 EKEB CC[C@H](C)Oc1ccc(/C=N/c2ccccc2SC)cc1Cl 409015107 YRGPKMQGQCGIBO-DZUMZMOTSA-N 333.884 5.990 30 40 EKEB Cc1oc(/N=C/c2ccc(OC(C)C)cc2OC(C)C)c(C#N)c1C 409079885 CBBUHCLRZICBKQ-SSDVNMTOSA-N 340.423 5.093 30 40 EKEB C=CCn1c(-c2ccccc2)csc1=Nc1ccccc1Cl 584906155 ZYTGZTFHIIKMAW-UHFFFAOYSA-N 326.852 5.288 30 40 EKEB N#C[C@H]1[C@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 4764422 VMCKZKAPFGYVEA-SBNMFCHZSA-N 328.459 5.493 30 40 EKEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl 5506179 HETNVBKBPXGFGX-ODCIPOBUSA-N 348.155 5.243 30 40 EKEB O=C(Nc1ccccc1)Oc1cccc(/C=N\Sc2ccccc2)c1 104191033 CELRASNWIFSQGW-QNGOZBTKSA-N 348.427 5.424 30 40 EKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc2ncccc2c1 137446755 VFUNCQVYPGWLDK-BUVRLJJBSA-N 325.415 5.393 30 40 EKEB CCCCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1 254579623 YDTFLWMDAFOTRZ-UHFFFAOYSA-N 337.507 6.739 30 40 EKEB CCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC 8452409 VQUVWUFEWQOVGO-UHFFFAOYSA-N 333.472 5.333 30 40 EKEB N#Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 11949962 QDCFCMZPFBQHBU-UHFFFAOYSA-N 338.204 5.053 30 40 EKEB CCCCCCCCCCCC[C@H](C)[N+](C)(C)Cc1ccccc1 103683764 BZLRKHIFCAUPPQ-QFIPXVFZSA-N 332.596 6.963 30 40 EKEB C=CCSc1ccccc1C(=O)Nc1c(CC)cccc1CC 219804928 UDFFRSVETCAXPR-UHFFFAOYSA-N 325.477 5.342 30 40 EKEB Cc1ccc(N/N=C\c2c(C)nn(-c3ccc(C)c(C)c3)c2C)c(C)c1 408994824 JPVWYIKBORHVHQ-QRVIBDJDSA-N 346.478 5.169 30 40 EKEB CCCCCCCCCCCCc1cc2ccccc2c2ccccc12 1698133 QBNLPAPGLLSKBN-UHFFFAOYSA-N 346.558 8.456 30 40 EKEB Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CC2)cc1 16969921 YKKMROBDBAPTHK-VHXPQNKSSA-N 326.443 5.173 30 40 EKEB CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CO1 28710852 LOGTZDQTPQYKEN-GSNKCQISSA-N 336.516 5.742 30 40 EKEB in-vitro C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCC 409134235 OFCMAJVXMMIHMP-UHFFFAOYSA-N 325.452 5.051 30 40 EKEB COc1ccc(/C=C2/C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 135152 LBUIGFCPSGJSAD-WNPPMXKSSA-N 342.394 5.095 30 40 EKEB O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(Cl)cc1 13547047 HLFVLGLFUUOHNQ-GDNBJRDFSA-N 345.876 5.244 30 40 EKEB CC[C@@H](C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 32647155 UDUWRBSHWKXDFO-GFCCVEGCSA-N 339.822 5.142 30 40 EKEB CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59247963 VDHZEYYMAXIKJW-PFRBSUFTSA-N 336.866 6.395 30 40 EKEB Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1Cl 408621398 LZCYEILNYXVGCA-ZRDIBKRKSA-N 349.861 5.952 30 40 EKEB